data_27168 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27168 _Entry.Title ; 1H, 15N, and 13C chemical shift assignments of the micelle immersed C-terminal FATC domain of the human DNA-dependent protein kinase catalytic subunit (DNA-PKcs) fused to the B1 domain of streptococcal protein G (GB1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-06 _Entry.Accession_date 2017-07-06 _Entry.Last_release_date 2017-07-06 _Entry.Original_release_date 2017-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Publication title: 1H, 15N, and 13C chemical shift assignments of the micelle immersed C-terminal FATC domains of the human protein kinases ataxia-telangiectasia mutated (ATM) and DNA-dependent protein kinase catalytic subunit (DNA-PKcs) fused to the B1 domain of streptococcal protein G (GB1) ; 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.ORCID _Entry_author.Entry_ID 1 'Munirah Sufiyah' 'Abd Rahim' . . . . 27168 2 Sonja Dames . A. . . 27168 3 Lisa Sommer . AM. . . 27168 4 Martin Shaad . . . . 27168 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27168 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 27168 '15N chemical shifts' 105 27168 '1H chemical shifts' 569 27168 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-02-02 . original BMRB . 27168 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27167 ; 1H, 15N, and 13C chemical shift assignments of the micelle immersed C-terminal FATC domain of the human protein kinase ataxia-telangiectasia mutated (ATM) fused to the B1 domain of streptococcal protein G (GB1) ; 27168 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27168 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29349619 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C chemical shift assignments of the micelle immersed FAT C-terminal (FATC) domains of the human protein kinases ataxia-telangiectasia mutated (ATM) and DNA-dependent protein kinase catalytic subunit (DNA-PKcs) fused to the B1 domain of streptococcal protein G (GB1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Rahim . SA. . . 27168 1 2 L. Sommer . AM. . . 27168 1 3 A. Wacker . . . . 27168 1 4 M. Schaad . . . . 27168 1 5 S. Dames . A. . . 27168 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATM 27168 1 'FATC domain' 27168 1 'NMR spectroscopy' 27168 1 PIKKs 27168 1 'membrane mimetic' 27168 1 'protein-lipid interactions' 27168 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 27168 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M113.467233 _Citation.PubMed_ID 23671275 _Citation.Full_citation . _Citation.Title ; NMR- and CD-Monitored Lipid Binding Studies Suggest a General Role for the FATC domain as Membrane Anchor of Phosphatidyl-Inositol-3 Kinase-Related Kinases (PIKKs) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 288 _Citation.Journal_issue 27 _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 20046 _Citation.Page_last 20063 _Citation.Year 2013 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lisa Sommer . A.M. . . 27168 2 2 Martin Shaad . . . . 27168 2 3 Sonja Dames . A. . . 27168 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATM 27168 2 'FATC domain' 27168 2 'NMR spectroscopy' 27168 2 PIKKs 27168 2 'membrane mimetic' 27168 2 'protein-lipid interactions' 27168 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27168 _Assembly.ID 1 _Assembly.Name gb1ent-dnapkfatc _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11170.25 _Assembly.Enzyme_commission_number . _Assembly.Details 'The fusion protein consists of 100 amino acid residues' _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 gb1ent-dnapkfatc 1 $hdnapkfatc A . yes native no no . . . 27168 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hdnapkfatc _Entity.Sf_category entity _Entity.Sf_framecode hdnapkfatc _Entity.Entry_ID 27168 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hdnapkfatc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQYKLALNGKTLKGETTTEA VDAATAEKVVKQFANDNGVD GEWTYDDATKTFTVTELVPR GSDDDDKSGLSEETQVKCLM DQATDPNILGRTWEGWEPWM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1-56 represent the GB1 tag and are followed by a thrombin (LVPRGS) and an enterokinase (DDDDK) site. Residue 68-100 correspond to the FATC domain. ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment "FATC domain of human 'DNA-dependent protein kinase catalytic subunit'" _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11170.25 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ser/thr kinase' 27168 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27168 1 2 2 GLN . 27168 1 3 3 TYR . 27168 1 4 4 LYS . 27168 1 5 5 LEU . 27168 1 6 6 ALA . 27168 1 7 7 LEU . 27168 1 8 8 ASN . 27168 1 9 9 GLY . 27168 1 10 10 LYS . 27168 1 11 11 THR . 27168 1 12 12 LEU . 27168 1 13 13 LYS . 27168 1 14 14 GLY . 27168 1 15 15 GLU . 27168 1 16 16 THR . 27168 1 17 17 THR . 27168 1 18 18 THR . 27168 1 19 19 GLU . 27168 1 20 20 ALA . 27168 1 21 21 VAL . 27168 1 22 22 ASP . 27168 1 23 23 ALA . 27168 1 24 24 ALA . 27168 1 25 25 THR . 27168 1 26 26 ALA . 27168 1 27 27 GLU . 27168 1 28 28 LYS . 27168 1 29 29 VAL . 27168 1 30 30 VAL . 27168 1 31 31 LYS . 27168 1 32 32 GLN . 27168 1 33 33 PHE . 27168 1 34 34 ALA . 27168 1 35 35 ASN . 27168 1 36 36 ASP . 27168 1 37 37 ASN . 27168 1 38 38 GLY . 27168 1 39 39 VAL . 27168 1 40 40 ASP . 27168 1 41 41 GLY . 27168 1 42 42 GLU . 27168 1 43 43 TRP . 27168 1 44 44 THR . 27168 1 45 45 TYR . 27168 1 46 46 ASP . 27168 1 47 47 ASP . 27168 1 48 48 ALA . 27168 1 49 49 THR . 27168 1 50 50 LYS . 27168 1 51 51 THR . 27168 1 52 52 PHE . 27168 1 53 53 THR . 27168 1 54 54 VAL . 27168 1 55 55 THR . 27168 1 56 56 GLU . 27168 1 57 57 LEU . 27168 1 58 58 VAL . 27168 1 59 59 PRO . 27168 1 60 60 ARG . 27168 1 61 61 GLY . 27168 1 62 62 SER . 27168 1 63 63 ASP . 27168 1 64 64 ASP . 27168 1 65 65 ASP . 27168 1 66 66 ASP . 27168 1 67 67 LYS . 27168 1 68 68 SER . 27168 1 69 69 GLY . 27168 1 70 70 LEU . 27168 1 71 71 SER . 27168 1 72 72 GLU . 27168 1 73 73 GLU . 27168 1 74 74 THR . 27168 1 75 75 GLN . 27168 1 76 76 VAL . 27168 1 77 77 LYS . 27168 1 78 78 CYS . 27168 1 79 79 LEU . 27168 1 80 80 MET . 27168 1 81 81 ASP . 27168 1 82 82 GLN . 27168 1 83 83 ALA . 27168 1 84 84 THR . 27168 1 85 85 ASP . 27168 1 86 86 PRO . 27168 1 87 87 ASN . 27168 1 88 88 ILE . 27168 1 89 89 LEU . 27168 1 90 90 GLY . 27168 1 91 91 ARG . 27168 1 92 92 THR . 27168 1 93 93 TRP . 27168 1 94 94 GLU . 27168 1 95 95 GLY . 27168 1 96 96 TRP . 27168 1 97 97 GLU . 27168 1 98 98 PRO . 27168 1 99 99 TRP . 27168 1 100 100 MET . 27168 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27168 1 . GLN 2 2 27168 1 . TYR 3 3 27168 1 . LYS 4 4 27168 1 . LEU 5 5 27168 1 . ALA 6 6 27168 1 . LEU 7 7 27168 1 . ASN 8 8 27168 1 . GLY 9 9 27168 1 . LYS 10 10 27168 1 . THR 11 11 27168 1 . LEU 12 12 27168 1 . LYS 13 13 27168 1 . GLY 14 14 27168 1 . GLU 15 15 27168 1 . THR 16 16 27168 1 . THR 17 17 27168 1 . THR 18 18 27168 1 . GLU 19 19 27168 1 . ALA 20 20 27168 1 . VAL 21 21 27168 1 . ASP 22 22 27168 1 . ALA 23 23 27168 1 . ALA 24 24 27168 1 . THR 25 25 27168 1 . ALA 26 26 27168 1 . GLU 27 27 27168 1 . LYS 28 28 27168 1 . VAL 29 29 27168 1 . VAl 30 30 27168 1 . LYS 31 31 27168 1 . GLN 32 32 27168 1 . PHE 33 33 27168 1 . ALA 34 34 27168 1 . ASN 35 35 27168 1 . ASP 36 36 27168 1 . ASN 37 37 27168 1 . GLY 38 38 27168 1 . VAL 39 39 27168 1 . ASP 40 40 27168 1 . GLY 41 41 27168 1 . GLU 42 42 27168 1 . TRP 43 43 27168 1 . THR 44 44 27168 1 . TYR 45 45 27168 1 . ASP 46 46 27168 1 . ASP 47 47 27168 1 . ALA 48 48 27168 1 . THR 49 49 27168 1 . LYS 50 50 27168 1 . THR 51 51 27168 1 . PHE 52 52 27168 1 . THR 53 53 27168 1 . VAL 54 54 27168 1 . THR 55 55 27168 1 . GLU 56 56 27168 1 . LEU 57 57 27168 1 . VAL 58 58 27168 1 . PRO 59 59 27168 1 . ARG 60 60 27168 1 . GLY 61 61 27168 1 . SER 62 62 27168 1 . ASP 63 63 27168 1 . ASP 64 64 27168 1 . ASP 65 65 27168 1 . ASP 66 66 27168 1 . LYS 67 67 27168 1 . SER 68 68 27168 1 . GLY 69 69 27168 1 . LEU 70 70 27168 1 . SER 71 71 27168 1 . GLU 72 72 27168 1 . GLU 73 73 27168 1 . THR 74 74 27168 1 . GLN 75 75 27168 1 . VAL 76 76 27168 1 . LYS 77 77 27168 1 . CYS 78 78 27168 1 . LEU 79 79 27168 1 . MET 80 80 27168 1 . ASP 81 81 27168 1 . GLN 82 82 27168 1 . ALA 83 83 27168 1 . THR 84 84 27168 1 . ASP 85 85 27168 1 . PRO 86 86 27168 1 . ASN 87 87 27168 1 . ILE 88 88 27168 1 . LEU 89 89 27168 1 . GLY 90 90 27168 1 . ARG 91 91 27168 1 . THR 92 92 27168 1 . TRP 93 93 27168 1 . GLU 94 94 27168 1 . GLY 95 95 27168 1 . TRP 96 96 27168 1 . GLU 97 97 27168 1 . PRO 98 98 27168 1 . TRP 99 99 27168 1 . MET 100 100 27168 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27168 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hdnapkfatc . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27168 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 27168 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hdnapkfatc . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE3) . . . . pGEV2 . . ; pGEV2 ref: Huth, J. R., C. A. Bewley, G. M. Clore, A. M. Gronenborn, B. M. Jackson and A. G. Hinnebusch (1997). "Design of an expression system for detecting folded protein domains and mapping macromolecular interactions by NMR." Protein Science 6(11): 2359-2364 ; 27168 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27168 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 gb1ent-dnapkfatc '[U-100% 13C; U-100% 15N]' . . 1 $hdnapkfatc . . 0.4 . . mM . . . . 27168 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27168 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27168 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 27168 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27168 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 27168 1 7 DPC '[U-100% 2H]' . . . . . . 150 . . mM . . . . 27168 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27168 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 gb1ent-dnapkfatc '[U-100% 15N]' . . 1 $hdnapkfatc . . 0.4 . . mM . . . . 27168 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 27168 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27168 2 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 27168 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 27168 2 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 27168 2 7 DPC '[U-100% 2H]' . . . . . . 150 . . mM . . . . 27168 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27168 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM TRIS, 100 mM NaCl, 0.2 % NaN3, 150 mM deuterated dodecylphosphocholine' 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' 100 . mM 27168 1 pH 6.5 . pH 27168 1 pressure 1 . atm 27168 1 temperature 298 . K 27168 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27168 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27168 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27168 1 'peak picking' 27168 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27168 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27168 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27168 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27168 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27168 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27168 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV_500 _NMR_spectrometer.Entry_ID 27168 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_AV_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV_750 _NMR_spectrometer.Entry_ID 27168 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 27168 _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 AV_500 Bruker Avance . 500 'equipped with cryogenic probe' . . 27168 1 2 AV_750 Bruker Avance . 750 . . . 27168 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 27168 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $AV_500 . . . . . . . . . . . . . . . . 27168 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV_500 . . . . . . . . . . . . . . . . 27168 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV_750 . . . . . . . . . . . . . . . . 27168 1 10 '15N T1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $AV_500 . . . . . . . . . . . . . . . . 27168 1 11 '15N T2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $AV_500 . . . . . . . . . . . . . . . . 27168 1 12 {1H}-15N-NOE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $AV_500 . . . . . . . . . . . . . . . . 27168 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 27168 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 27168 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27168 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 27168 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 27168 _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' . . . 27168 1 2 '2D 1H-15N HSQC' . . . 27168 1 3 '2D 1H-13C HSQC' . . . 27168 1 4 '2D 1H-13C HSQC aliphatic' . . . 27168 1 5 '3D HCCH-TOCSY' . . . 27168 1 6 '3D 1H-15N NOESY' . . . 27168 1 7 '3D 1H-13C NOESY' . . . 27168 1 8 '3D HNCA' . . . 27168 1 9 '3D C(CO)NH' . . . 27168 1 10 '15N T1' . . . 27168 1 11 '15N T2' . . . 27168 1 12 {1H}-15N-NOE . . . 27168 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 1 $NMRView . . 27168 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.231 . . 1 . . . . . 1 MET HA . 27168 1 2 . 1 1 1 1 MET HB2 H 1 2.269 . . 2 . . . . . 1 MET HB1 . 27168 1 3 . 1 1 1 1 MET HB3 H 1 2.124 . . 2 . . . . . 1 MET HB2 . 27168 1 4 . 1 1 1 1 MET HG2 H 1 2.470 . . 2 . . . . . 1 MET HG1 . 27168 1 5 . 1 1 1 1 MET HG3 H 1 2.219 . . 2 . . . . . 1 MET HG2 . 27168 1 6 . 1 1 1 1 MET HE1 H 1 2.175 . . 1 . . . . . 1 MET HE1 . 27168 1 7 . 1 1 1 1 MET HE2 H 1 2.175 . . 1 . . . . . 1 MET HE1 . 27168 1 8 . 1 1 1 1 MET HE3 H 1 2.175 . . 1 . . . . . 1 MET HE1 . 27168 1 9 . 1 1 1 1 MET CA C 13 54.741 . . 1 . . . . . 1 MET CA . 27168 1 10 . 1 1 1 1 MET CB C 13 32.734 . . 1 . . . . . 1 MET CB . 27168 1 11 . 1 1 1 1 MET CG C 13 30.795 . . 1 . . . . . 1 MET CG . 27168 1 12 . 1 1 1 1 MET CE C 13 16.405 . . 1 . . . . . 1 MET CE . 27168 1 13 . 1 1 2 2 GLN H H 1 8.390 . . 1 . . . . . 2 GLN HN . 27168 1 14 . 1 1 2 2 GLN HA H 1 5.023 . . 1 . . . . . 2 GLN HA . 27168 1 15 . 1 1 2 2 GLN HB2 H 1 2.075 . . 2 . . . . . 2 GLN HB1 . 27168 1 16 . 1 1 2 2 GLN HB3 H 1 2.022 . . 2 . . . . . 2 GLN HB2 . 27168 1 17 . 1 1 2 2 GLN HG2 H 1 2.419 . . 2 . . . . . 2 GLN HG1 . 27168 1 18 . 1 1 2 2 GLN HG3 H 1 2.147 . . 2 . . . . . 2 GLN HG2 . 27168 1 19 . 1 1 2 2 GLN HE21 H 1 7.882 . . 2 . . . . . 2 GLN HE21 . 27168 1 20 . 1 1 2 2 GLN HE22 H 1 6.955 . . 2 . . . . . 2 GLN HE22 . 27168 1 21 . 1 1 2 2 GLN CA C 13 55.999 . . 1 . . . . . 2 GLN CA . 27168 1 22 . 1 1 2 2 GLN CB C 13 30.522 . . 1 . . . . . 2 GLN CB . 27168 1 23 . 1 1 2 2 GLN CG C 13 35.206 . . 1 . . . . . 2 GLN CG . 27168 1 24 . 1 1 2 2 GLN N N 15 123.843 . . 1 . . . . . 2 GLN N . 27168 1 25 . 1 1 2 2 GLN NE2 N 15 112.670 . . 1 . . . . . 2 GLN NE2 . 27168 1 26 . 1 1 3 3 TYR H H 1 9.125 . . 1 . . . . . 3 TYR HN . 27168 1 27 . 1 1 3 3 TYR HA H 1 5.396 . . 1 . . . . . 3 TYR HA . 27168 1 28 . 1 1 3 3 TYR HB2 H 1 3.457 . . 2 . . . . . 3 TYR HB1 . 27168 1 29 . 1 1 3 3 TYR HB3 H 1 2.771 . . 2 . . . . . 3 TYR HB2 . 27168 1 30 . 1 1 3 3 TYR CA C 13 57.318 . . 1 . . . . . 3 TYR CA . 27168 1 31 . 1 1 3 3 TYR CB C 13 43.563 . . 1 . . . . . 3 TYR CB . 27168 1 32 . 1 1 3 3 TYR N N 15 124.641 . . 1 . . . . . 3 TYR N . 27168 1 33 . 1 1 4 4 LYS H H 1 9.222 . . 1 . . . . . 4 LYS HN . 27168 1 34 . 1 1 4 4 LYS HA H 1 5.292 . . 1 . . . . . 4 LYS HA . 27168 1 35 . 1 1 4 4 LYS HB2 H 1 2.004 . . 2 . . . . . 4 LYS HB1 . 27168 1 36 . 1 1 4 4 LYS HB3 H 1 2.004 . . 2 . . . . . 4 LYS HB2 . 27168 1 37 . 1 1 4 4 LYS HG2 H 1 1.497 . . 2 . . . . . 4 LYS HG1 . 27168 1 38 . 1 1 4 4 LYS HG3 H 1 1.367 . . 2 . . . . . 4 LYS HG2 . 27168 1 39 . 1 1 4 4 LYS HD2 H 1 1.662 . . 2 . . . . . 4 LYS HD1 . 27168 1 40 . 1 1 4 4 LYS HD3 H 1 1.662 . . 2 . . . . . 4 LYS HD2 . 27168 1 41 . 1 1 4 4 LYS HE2 H 1 2.938 . . 2 . . . . . 4 LYS HE1 . 27168 1 42 . 1 1 4 4 LYS HE3 H 1 2.938 . . 2 . . . . . 4 LYS HE2 . 27168 1 43 . 1 1 4 4 LYS CA C 13 55.321 . . 1 . . . . . 4 LYS CA . 27168 1 44 . 1 1 4 4 LYS CB C 13 36.065 . . 1 . . . . . 4 LYS CB . 27168 1 45 . 1 1 4 4 LYS CG C 13 25.535 . . 1 . . . . . 4 LYS CG . 27168 1 46 . 1 1 4 4 LYS CD C 13 29.236 . . 1 . . . . . 4 LYS CD . 27168 1 47 . 1 1 4 4 LYS CE C 13 42.133 . . 1 . . . . . 4 LYS CE . 27168 1 48 . 1 1 4 4 LYS N N 15 121.748 . . 1 . . . . . 4 LYS N . 27168 1 49 . 1 1 5 5 LEU H H 1 8.591 . . 1 . . . . . 5 LEU HN . 27168 1 50 . 1 1 5 5 LEU HA H 1 4.983 . . 1 . . . . . 5 LEU HA . 27168 1 51 . 1 1 5 5 LEU CA C 13 52.825 . . 1 . . . . . 5 LEU CA . 27168 1 52 . 1 1 5 5 LEU CB C 13 42.533 . . 1 . . . . . 5 LEU CB . 27168 1 53 . 1 1 5 5 LEU N N 15 125.892 . . 1 . . . . . 5 LEU N . 27168 1 54 . 1 1 6 6 ALA H H 1 9.314 . . 1 . . . . . 6 ALA HN . 27168 1 55 . 1 1 6 6 ALA HA H 1 4.846 . . 1 . . . . . 6 ALA HA . 27168 1 56 . 1 1 6 6 ALA CA C 13 50.632 . . 1 . . . . . 6 ALA CA . 27168 1 57 . 1 1 6 6 ALA CB C 13 19.930 . . 1 . . . . . 6 ALA CB . 27168 1 58 . 1 1 6 6 ALA N N 15 130.072 . . 1 . . . . . 6 ALA N . 27168 1 59 . 1 1 7 7 LEU H H 1 8.596 . . 1 . . . . . 7 LEU HN . 27168 1 60 . 1 1 7 7 LEU HA H 1 4.544 . . 1 . . . . . 7 LEU HA . 27168 1 61 . 1 1 7 7 LEU HB2 H 1 1.467 . . 2 . . . . . 7 LEU HB1 . 27168 1 62 . 1 1 7 7 LEU HB3 H 1 1.467 . . 2 . . . . . 7 LEU HB2 . 27168 1 63 . 1 1 7 7 LEU HG H 1 1.384 . . 1 . . . . . 7 LEU HG . 27168 1 64 . 1 1 7 7 LEU HD11 H 1 0.809 . . 4 . . . . . 7 LEU HD11 . 27168 1 65 . 1 1 7 7 LEU HD12 H 1 0.809 . . 4 . . . . . 7 LEU HD11 . 27168 1 66 . 1 1 7 7 LEU HD13 H 1 0.809 . . 4 . . . . . 7 LEU HD11 . 27168 1 67 . 1 1 7 7 LEU HD21 H 1 0.765 . . 4 . . . . . 7 LEU HD21 . 27168 1 68 . 1 1 7 7 LEU HD22 H 1 0.765 . . 4 . . . . . 7 LEU HD21 . 27168 1 69 . 1 1 7 7 LEU HD23 H 1 0.765 . . 4 . . . . . 7 LEU HD21 . 27168 1 70 . 1 1 7 7 LEU CA C 13 54.451 . . 1 . . . . . 7 LEU CA . 27168 1 71 . 1 1 7 7 LEU CB C 13 42.710 . . 1 . . . . . 7 LEU CB . 27168 1 72 . 1 1 7 7 LEU CG C 13 27.449 . . 1 . . . . . 7 LEU CG . 27168 1 73 . 1 1 7 7 LEU CD1 C 13 25.872 . . 2 . . . . . 7 LEU CD1 . 27168 1 74 . 1 1 7 7 LEU CD2 C 13 25.444 . . 2 . . . . . 7 LEU CD2 . 27168 1 75 . 1 1 7 7 LEU N N 15 122.427 . . 1 . . . . . 7 LEU N . 27168 1 76 . 1 1 8 8 ASN H H 1 8.854 . . 1 . . . . . 8 ASN HN . 27168 1 77 . 1 1 8 8 ASN HA H 1 5.220 . . 1 . . . . . 8 ASN HA . 27168 1 78 . 1 1 8 8 ASN HB2 H 1 2.951 . . 2 . . . . . 8 ASN HB1 . 27168 1 79 . 1 1 8 8 ASN HB3 H 1 2.656 . . 2 . . . . . 8 ASN HB2 . 27168 1 80 . 1 1 8 8 ASN HD21 H 1 7.172 . . 2 . . . . . 8 ASN HD21 . 27168 1 81 . 1 1 8 8 ASN HD22 H 1 6.909 . . 2 . . . . . 8 ASN HD22 . 27168 1 82 . 1 1 8 8 ASN CA C 13 51.700 . . 1 . . . . . 8 ASN CA . 27168 1 83 . 1 1 8 8 ASN CB C 13 38.790 . . 1 . . . . . 8 ASN CB . 27168 1 84 . 1 1 8 8 ASN N N 15 125.357 . . 1 . . . . . 8 ASN N . 27168 1 85 . 1 1 8 8 ASN ND2 N 15 111.815 . . 1 . . . . . 8 ASN ND2 . 27168 1 86 . 1 1 9 9 GLY H H 1 8.034 . . 1 . . . . . 9 GLY HN . 27168 1 87 . 1 1 9 9 GLY HA2 H 1 4.484 . . 2 . . . . . 9 GLY HA1 . 27168 1 88 . 1 1 9 9 GLY HA3 H 1 4.070 . . 2 . . . . . 9 GLY HA2 . 27168 1 89 . 1 1 9 9 GLY CA C 13 44.812 . . 1 . . . . . 9 GLY CA . 27168 1 90 . 1 1 9 9 GLY N N 15 110.553 . . 1 . . . . . 9 GLY N . 27168 1 91 . 1 1 10 10 LYS H H 1 9.114 . . 1 . . . . . 10 LYS HN . 27168 1 92 . 1 1 10 10 LYS HA H 1 4.118 . . 1 . . . . . 10 LYS HA . 27168 1 93 . 1 1 10 10 LYS HB2 H 1 1.877 . . 2 . . . . . 10 LYS HB1 . 27168 1 94 . 1 1 10 10 LYS HB3 H 1 1.877 . . 2 . . . . . 10 LYS HB2 . 27168 1 95 . 1 1 10 10 LYS HG2 H 1 1.498 . . 2 . . . . . 10 LYS HG1 . 27168 1 96 . 1 1 10 10 LYS HD2 H 1 1.701 . . 2 . . . . . 10 LYS HD1 . 27168 1 97 . 1 1 10 10 LYS HD3 H 1 1.701 . . 2 . . . . . 10 LYS HD2 . 27168 1 98 . 1 1 10 10 LYS HE2 H 1 3.044 . . 2 . . . . . 10 LYS HE1 . 27168 1 99 . 1 1 10 10 LYS CA C 13 59.030 . . 1 . . . . . 10 LYS CA . 27168 1 100 . 1 1 10 10 LYS CB C 13 32.762 . . 1 . . . . . 10 LYS CB . 27168 1 101 . 1 1 10 10 LYS CG C 13 25.059 . . 1 . . . . . 10 LYS CG . 27168 1 102 . 1 1 10 10 LYS CD C 13 29.301 . . 1 . . . . . 10 LYS CD . 27168 1 103 . 1 1 10 10 LYS CE C 13 42.183 . . 1 . . . . . 10 LYS CE . 27168 1 104 . 1 1 10 10 LYS N N 15 121.238 . . 1 . . . . . 10 LYS N . 27168 1 105 . 1 1 11 11 THR H H 1 8.816 . . 1 . . . . . 11 THR HN . 27168 1 106 . 1 1 11 11 THR HA H 1 4.415 . . 1 . . . . . 11 THR HA . 27168 1 107 . 1 1 11 11 THR HB H 1 4.278 . . 1 . . . . . 11 THR HB . 27168 1 108 . 1 1 11 11 THR HG21 H 1 1.205 . . 1 . . . . . 11 THR HG21 . 27168 1 109 . 1 1 11 11 THR HG22 H 1 1.205 . . 1 . . . . . 11 THR HG21 . 27168 1 110 . 1 1 11 11 THR HG23 H 1 1.205 . . 1 . . . . . 11 THR HG21 . 27168 1 111 . 1 1 11 11 THR CA C 13 62.168 . . 1 . . . . . 11 THR CA . 27168 1 112 . 1 1 11 11 THR CB C 13 69.722 . . 1 . . . . . 11 THR CB . 27168 1 113 . 1 1 11 11 THR CG2 C 13 22.010 . . 1 . . . . . 11 THR CG2 . 27168 1 114 . 1 1 11 11 THR N N 15 109.643 . . 1 . . . . . 11 THR N . 27168 1 115 . 1 1 12 12 LEU H H 1 7.449 . . 1 . . . . . 12 LEU HN . 27168 1 116 . 1 1 12 12 LEU HA H 1 4.469 . . 1 . . . . . 12 LEU HA . 27168 1 117 . 1 1 12 12 LEU HB2 H 1 1.558 . . 2 . . . . . 12 LEU HB1 . 27168 1 118 . 1 1 12 12 LEU HB3 H 1 1.495 . . 2 . . . . . 12 LEU HB2 . 27168 1 119 . 1 1 12 12 LEU HG H 1 1.470 . . 1 . . . . . 12 LEU HG . 27168 1 120 . 1 1 12 12 LEU HD11 H 1 0.846 . . 4 . . . . . 12 LEU HD11 . 27168 1 121 . 1 1 12 12 LEU HD12 H 1 0.846 . . 4 . . . . . 12 LEU HD11 . 27168 1 122 . 1 1 12 12 LEU HD13 H 1 0.846 . . 4 . . . . . 12 LEU HD11 . 27168 1 123 . 1 1 12 12 LEU HD21 H 1 0.917 . . 4 . . . . . 12 LEU HD21 . 27168 1 124 . 1 1 12 12 LEU HD22 H 1 0.917 . . 4 . . . . . 12 LEU HD21 . 27168 1 125 . 1 1 12 12 LEU HD23 H 1 0.917 . . 4 . . . . . 12 LEU HD21 . 27168 1 126 . 1 1 12 12 LEU CA C 13 55.204 . . 1 . . . . . 12 LEU CA . 27168 1 127 . 1 1 12 12 LEU CB C 13 43.687 . . 1 . . . . . 12 LEU CB . 27168 1 128 . 1 1 12 12 LEU CG C 13 27.300 . . 1 . . . . . 12 LEU CG . 27168 1 129 . 1 1 12 12 LEU CD1 C 13 25.142 . . 2 . . . . . 12 LEU CD1 . 27168 1 130 . 1 1 12 12 LEU CD2 C 13 24.259 . . 2 . . . . . 12 LEU CD2 . 27168 1 131 . 1 1 12 12 LEU N N 15 124.730 . . 1 . . . . . 12 LEU N . 27168 1 132 . 1 1 13 13 LYS H H 1 8.194 . . 1 . . . . . 13 LYS HN . 27168 1 133 . 1 1 13 13 LYS HA H 1 5.055 . . 1 . . . . . 13 LYS HA . 27168 1 134 . 1 1 13 13 LYS HB2 H 1 1.916 . . 2 . . . . . 13 LYS HB1 . 27168 1 135 . 1 1 13 13 LYS HB3 H 1 1.790 . . 2 . . . . . 13 LYS HB2 . 27168 1 136 . 1 1 13 13 LYS HG2 H 1 1.498 . . 2 . . . . . 13 LYS HG1 . 27168 1 137 . 1 1 13 13 LYS HD2 H 1 1.767 . . 2 . . . . . 13 LYS HD1 . 27168 1 138 . 1 1 13 13 LYS HE2 H 1 3.036 . . 2 . . . . . 13 LYS HE1 . 27168 1 139 . 1 1 13 13 LYS HE3 H 1 3.013 . . 2 . . . . . 13 LYS HE2 . 27168 1 140 . 1 1 13 13 LYS CA C 13 54.378 . . 1 . . . . . 13 LYS CA . 27168 1 141 . 1 1 13 13 LYS CB C 13 35.120 . . 1 . . . . . 13 LYS CB . 27168 1 142 . 1 1 13 13 LYS CG C 13 25.110 . . 1 . . . . . 13 LYS CG . 27168 1 143 . 1 1 13 13 LYS CD C 13 29.373 . . 1 . . . . . 13 LYS CD . 27168 1 144 . 1 1 13 13 LYS CE C 13 42.622 . . 1 . . . . . 13 LYS CE . 27168 1 145 . 1 1 13 13 LYS N N 15 123.661 . . 1 . . . . . 13 LYS N . 27168 1 146 . 1 1 14 14 GLY H H 1 8.437 . . 1 . . . . . 14 GLY HN . 27168 1 147 . 1 1 14 14 GLY HA2 H 1 4.250 . . 2 . . . . . 14 GLY HA1 . 27168 1 148 . 1 1 14 14 GLY CA C 13 45.213 . . 1 . . . . . 14 GLY CA . 27168 1 149 . 1 1 14 14 GLY N N 15 109.854 . . 1 . . . . . 14 GLY N . 27168 1 150 . 1 1 15 15 GLU H H 1 8.495 . . 1 . . . . . 15 GLU HN . 27168 1 151 . 1 1 15 15 GLU HA H 1 5.634 . . 1 . . . . . 15 GLU HA . 27168 1 152 . 1 1 15 15 GLU HB2 H 1 2.045 . . 2 . . . . . 15 GLU HB1 . 27168 1 153 . 1 1 15 15 GLU HB3 H 1 1.980 . . 2 . . . . . 15 GLU HB2 . 27168 1 154 . 1 1 15 15 GLU HG2 H 1 2.201 . . 2 . . . . . 15 GLU HG1 . 27168 1 155 . 1 1 15 15 GLU CA C 13 54.857 . . 1 . . . . . 15 GLU CA . 27168 1 156 . 1 1 15 15 GLU CB C 13 33.731 . . 1 . . . . . 15 GLU CB . 27168 1 157 . 1 1 15 15 GLU CG C 13 36.192 . . 1 . . . . . 15 GLU CG . 27168 1 158 . 1 1 15 15 GLU N N 15 119.516 . . 1 . . . . . 15 GLU N . 27168 1 159 . 1 1 16 16 THR H H 1 8.679 . . 1 . . . . . 16 THR HN . 27168 1 160 . 1 1 16 16 THR HA H 1 4.783 . . 1 . . . . . 16 THR HA . 27168 1 161 . 1 1 16 16 THR HB H 1 4.002 . . 1 . . . . . 16 THR HB . 27168 1 162 . 1 1 16 16 THR HG21 H 1 0.602 . . 1 . . . . . 16 THR HG21 . 27168 1 163 . 1 1 16 16 THR HG22 H 1 0.602 . . 1 . . . . . 16 THR HG21 . 27168 1 164 . 1 1 16 16 THR HG23 H 1 0.602 . . 1 . . . . . 16 THR HG21 . 27168 1 165 . 1 1 16 16 THR CA C 13 60.529 . . 1 . . . . . 16 THR CA . 27168 1 166 . 1 1 16 16 THR CB C 13 69.777 . . 1 . . . . . 16 THR CB . 27168 1 167 . 1 1 16 16 THR CG2 C 13 19.509 . . 1 . . . . . 16 THR CG2 . 27168 1 168 . 1 1 16 16 THR N N 15 116.095 . . 1 . . . . . 16 THR N . 27168 1 169 . 1 1 17 17 THR H H 1 8.174 . . 1 . . . . . 17 THR HN . 27168 1 170 . 1 1 17 17 THR HA H 1 5.865 . . 1 . . . . . 17 THR HA . 27168 1 171 . 1 1 17 17 THR HB H 1 4.333 . . 1 . . . . . 17 THR HB . 27168 1 172 . 1 1 17 17 THR HG21 H 1 1.227 . . 1 . . . . . 17 THR HG21 . 27168 1 173 . 1 1 17 17 THR HG22 H 1 1.227 . . 1 . . . . . 17 THR HG21 . 27168 1 174 . 1 1 17 17 THR HG23 H 1 1.227 . . 1 . . . . . 17 THR HG21 . 27168 1 175 . 1 1 17 17 THR CA C 13 60.034 . . 1 . . . . . 17 THR CA . 27168 1 176 . 1 1 17 17 THR CB C 13 73.251 . . 1 . . . . . 17 THR CB . 27168 1 177 . 1 1 17 17 THR CG2 C 13 21.571 . . 1 . . . . . 17 THR CG2 . 27168 1 178 . 1 1 17 17 THR N N 15 112.368 . . 1 . . . . . 17 THR N . 27168 1 179 . 1 1 18 18 THR H H 1 9.051 . . 1 . . . . . 18 THR HN . 27168 1 180 . 1 1 18 18 THR HA H 1 4.717 . . 1 . . . . . 18 THR HA . 27168 1 181 . 1 1 18 18 THR HB H 1 3.892 . . 1 . . . . . 18 THR HB . 27168 1 182 . 1 1 18 18 THR HG21 H 1 0.548 . . 1 . . . . . 18 THR HG21 . 27168 1 183 . 1 1 18 18 THR HG22 H 1 0.548 . . 1 . . . . . 18 THR HG21 . 27168 1 184 . 1 1 18 18 THR HG23 H 1 0.548 . . 1 . . . . . 18 THR HG21 . 27168 1 185 . 1 1 18 18 THR CA C 13 62.388 . . 1 . . . . . 18 THR CA . 27168 1 186 . 1 1 18 18 THR CB C 13 70.225 . . 1 . . . . . 18 THR CB . 27168 1 187 . 1 1 18 18 THR CG2 C 13 19.179 . . 1 . . . . . 18 THR CG2 . 27168 1 188 . 1 1 18 18 THR N N 15 115.140 . . 1 . . . . . 18 THR N . 27168 1 189 . 1 1 19 19 GLU H H 1 7.995 . . 1 . . . . . 19 GLU HN . 27168 1 190 . 1 1 19 19 GLU HA H 1 5.220 . . 1 . . . . . 19 GLU HA . 27168 1 191 . 1 1 19 19 GLU HB2 H 1 2.003 . . 2 . . . . . 19 GLU HB1 . 27168 1 192 . 1 1 19 19 GLU HB3 H 1 1.988 . . 2 . . . . . 19 GLU HB2 . 27168 1 193 . 1 1 19 19 GLU HG2 H 1 2.333 . . 2 . . . . . 19 GLU HG1 . 27168 1 194 . 1 1 19 19 GLU HG3 H 1 2.114 . . 2 . . . . . 19 GLU HG2 . 27168 1 195 . 1 1 19 19 GLU CA C 13 54.504 . . 1 . . . . . 19 GLU CA . 27168 1 196 . 1 1 19 19 GLU CB C 13 30.440 . . 1 . . . . . 19 GLU CB . 27168 1 197 . 1 1 19 19 GLU CG C 13 35.679 . . 1 . . . . . 19 GLU CG . 27168 1 198 . 1 1 19 19 GLU N N 15 126.245 . . 1 . . . . . 19 GLU N . 27168 1 199 . 1 1 20 20 ALA H H 1 9.386 . . 1 . . . . . 20 ALA HN . 27168 1 200 . 1 1 20 20 ALA HA H 1 4.986 . . 1 . . . . . 20 ALA HA . 27168 1 201 . 1 1 20 20 ALA HB1 H 1 1.396 . . 1 . . . . . 20 ALA HB1 . 27168 1 202 . 1 1 20 20 ALA HB2 H 1 1.396 . . 1 . . . . . 20 ALA HB1 . 27168 1 203 . 1 1 20 20 ALA HB3 H 1 1.396 . . 1 . . . . . 20 ALA HB1 . 27168 1 204 . 1 1 20 20 ALA CA C 13 50.911 . . 1 . . . . . 20 ALA CA . 27168 1 205 . 1 1 20 20 ALA CB C 13 23.759 . . 1 . . . . . 20 ALA CB . 27168 1 206 . 1 1 20 20 ALA N N 15 127.666 . . 1 . . . . . 20 ALA N . 27168 1 207 . 1 1 21 21 VAL H H 1 8.548 . . 1 . . . . . 21 VAL HN . 27168 1 208 . 1 1 21 21 VAL HA H 1 4.162 . . 1 . . . . . 21 VAL HA . 27168 1 209 . 1 1 21 21 VAL HB H 1 2.243 . . 1 . . . . . 21 VAL HB . 27168 1 210 . 1 1 21 21 VAL HG11 H 1 1.050 . . 4 . . . . . 21 VAL HG11 . 27168 1 211 . 1 1 21 21 VAL HG12 H 1 1.050 . . 4 . . . . . 21 VAL HG11 . 27168 1 212 . 1 1 21 21 VAL HG13 H 1 1.050 . . 4 . . . . . 21 VAL HG11 . 27168 1 213 . 1 1 21 21 VAL HG21 H 1 1.059 . . 4 . . . . . 21 VAL HG21 . 27168 1 214 . 1 1 21 21 VAL HG22 H 1 1.059 . . 4 . . . . . 21 VAL HG21 . 27168 1 215 . 1 1 21 21 VAL HG23 H 1 1.059 . . 4 . . . . . 21 VAL HG21 . 27168 1 216 . 1 1 21 21 VAL CA C 13 63.656 . . 1 . . . . . 21 VAL CA . 27168 1 217 . 1 1 21 21 VAL CB C 13 32.083 . . 1 . . . . . 21 VAL CB . 27168 1 218 . 1 1 21 21 VAL CG1 C 13 20.082 . . 2 . . . . . 21 VAL CG1 . 27168 1 219 . 1 1 21 21 VAL CG2 C 13 20.959 . . 2 . . . . . 21 VAL CG2 . 27168 1 220 . 1 1 21 21 VAL N N 15 116.102 . . 1 . . . . . 21 VAL N . 27168 1 221 . 1 1 22 22 ASP H H 1 7.377 . . 1 . . . . . 22 ASP HN . 27168 1 222 . 1 1 22 22 ASP HA H 1 4.827 . . 1 . . . . . 22 ASP HA . 27168 1 223 . 1 1 22 22 ASP HB2 H 1 3.090 . . 2 . . . . . 22 ASP HB1 . 27168 1 224 . 1 1 22 22 ASP HB3 H 1 3.034 . . 2 . . . . . 22 ASP HB2 . 27168 1 225 . 1 1 22 22 ASP CA C 13 52.539 . . 1 . . . . . 22 ASP CA . 27168 1 226 . 1 1 22 22 ASP CB C 13 42.220 . . 1 . . . . . 22 ASP CB . 27168 1 227 . 1 1 22 22 ASP N N 15 115.366 . . 1 . . . . . 22 ASP N . 27168 1 228 . 1 1 23 23 ALA H H 1 8.335 . . 1 . . . . . 23 ALA HN . 27168 1 229 . 1 1 23 23 ALA HA H 1 3.317 . . 1 . . . . . 23 ALA HA . 27168 1 230 . 1 1 23 23 ALA HB1 H 1 1.212 . . 1 . . . . . 23 ALA HB1 . 27168 1 231 . 1 1 23 23 ALA HB2 H 1 1.212 . . 1 . . . . . 23 ALA HB1 . 27168 1 232 . 1 1 23 23 ALA HB3 H 1 1.212 . . 1 . . . . . 23 ALA HB1 . 27168 1 233 . 1 1 23 23 ALA CA C 13 54.652 . . 1 . . . . . 23 ALA CA . 27168 1 234 . 1 1 23 23 ALA CB C 13 17.528 . . 1 . . . . . 23 ALA CB . 27168 1 235 . 1 1 23 23 ALA N N 15 121.757 . . 1 . . . . . 23 ALA N . 27168 1 236 . 1 1 24 24 ALA H H 1 8.114 . . 1 . . . . . 24 ALA HN . 27168 1 237 . 1 1 24 24 ALA HA H 1 4.011 . . 1 . . . . . 24 ALA HA . 27168 1 238 . 1 1 24 24 ALA HB1 H 1 1.344 . . 1 . . . . . 24 ALA HB1 . 27168 1 239 . 1 1 24 24 ALA HB2 H 1 1.344 . . 1 . . . . . 24 ALA HB1 . 27168 1 240 . 1 1 24 24 ALA HB3 H 1 1.344 . . 1 . . . . . 24 ALA HB1 . 27168 1 241 . 1 1 24 24 ALA CA C 13 54.835 . . 1 . . . . . 24 ALA CA . 27168 1 242 . 1 1 24 24 ALA CB C 13 17.942 . . 1 . . . . . 24 ALA CB . 27168 1 243 . 1 1 24 24 ALA N N 15 120.781 . . 1 . . . . . 24 ALA N . 27168 1 244 . 1 1 25 25 THR H H 1 8.327 . . 1 . . . . . 25 THR HN . 27168 1 245 . 1 1 25 25 THR HA H 1 3.747 . . 1 . . . . . 25 THR HA . 27168 1 246 . 1 1 25 25 THR HB H 1 4.076 . . 1 . . . . . 25 THR HB . 27168 1 247 . 1 1 25 25 THR HG21 H 1 1.278 . . 1 . . . . . 25 THR HG21 . 27168 1 248 . 1 1 25 25 THR HG22 H 1 1.278 . . 1 . . . . . 25 THR HG21 . 27168 1 249 . 1 1 25 25 THR HG23 H 1 1.278 . . 1 . . . . . 25 THR HG21 . 27168 1 250 . 1 1 25 25 THR CA C 13 66.974 . . 1 . . . . . 25 THR CA . 27168 1 251 . 1 1 25 25 THR CB C 13 67.975 . . 1 . . . . . 25 THR CB . 27168 1 252 . 1 1 25 25 THR CG2 C 13 21.132 . . 1 . . . . . 25 THR CG2 . 27168 1 253 . 1 1 25 25 THR N N 15 116.626 . . 1 . . . . . 25 THR N . 27168 1 254 . 1 1 26 26 ALA H H 1 7.230 . . 1 . . . . . 26 ALA HN . 27168 1 255 . 1 1 26 26 ALA HA H 1 3.156 . . 1 . . . . . 26 ALA HA . 27168 1 256 . 1 1 26 26 ALA HB1 H 1 0.622 . . 1 . . . . . 26 ALA HB1 . 27168 1 257 . 1 1 26 26 ALA HB2 H 1 0.622 . . 1 . . . . . 26 ALA HB1 . 27168 1 258 . 1 1 26 26 ALA HB3 H 1 0.622 . . 1 . . . . . 26 ALA HB1 . 27168 1 259 . 1 1 26 26 ALA CA C 13 54.938 . . 1 . . . . . 26 ALA CA . 27168 1 260 . 1 1 26 26 ALA CB C 13 17.639 . . 1 . . . . . 26 ALA CB . 27168 1 261 . 1 1 26 26 ALA N N 15 123.947 . . 1 . . . . . 26 ALA N . 27168 1 262 . 1 1 27 27 GLU H H 1 8.362 . . 1 . . . . . 27 GLU HN . 27168 1 263 . 1 1 27 27 GLU HA H 1 2.691 . . 1 . . . . . 27 GLU HA . 27168 1 264 . 1 1 27 27 GLU HB2 H 1 1.986 . . 2 . . . . . 27 GLU HB1 . 27168 1 265 . 1 1 27 27 GLU HB3 H 1 1.714 . . 2 . . . . . 27 GLU HB2 . 27168 1 266 . 1 1 27 27 GLU HG2 H 1 1.686 . . 2 . . . . . 27 GLU HG1 . 27168 1 267 . 1 1 27 27 GLU CA C 13 59.720 . . 1 . . . . . 27 GLU CA . 27168 1 268 . 1 1 27 27 GLU CB C 13 29.080 . . 1 . . . . . 27 GLU CB . 27168 1 269 . 1 1 27 27 GLU CG C 13 35.589 . . 1 . . . . . 27 GLU CG . 27168 1 270 . 1 1 27 27 GLU N N 15 116.912 . . 1 . . . . . 27 GLU N . 27168 1 271 . 1 1 28 28 LYS H H 1 6.995 . . 1 . . . . . 28 LYS HN . 27168 1 272 . 1 1 28 28 LYS HA H 1 3.774 . . 1 . . . . . 28 LYS HA . 27168 1 273 . 1 1 28 28 LYS HB2 H 1 1.887 . . 2 . . . . . 28 LYS HB1 . 27168 1 274 . 1 1 28 28 LYS HG2 H 1 1.588 . . 2 . . . . . 28 LYS HG1 . 27168 1 275 . 1 1 28 28 LYS HG3 H 1 1.372 . . 2 . . . . . 28 LYS HG2 . 27168 1 276 . 1 1 28 28 LYS HD2 H 1 1.662 . . 2 . . . . . 28 LYS HD1 . 27168 1 277 . 1 1 28 28 LYS HE2 H 1 2.937 . . 2 . . . . . 28 LYS HE1 . 27168 1 278 . 1 1 28 28 LYS CA C 13 59.764 . . 1 . . . . . 28 LYS CA . 27168 1 279 . 1 1 28 28 LYS CB C 13 32.361 . . 1 . . . . . 28 LYS CB . 27168 1 280 . 1 1 28 28 LYS CG C 13 25.125 . . 1 . . . . . 28 LYS CG . 27168 1 281 . 1 1 28 28 LYS CD C 13 29.256 . . 1 . . . . . 28 LYS CD . 27168 1 282 . 1 1 28 28 LYS N N 15 116.775 . . 1 . . . . . 28 LYS N . 27168 1 283 . 1 1 29 29 VAL H H 1 7.387 . . 1 . . . . . 29 VAL HN . 27168 1 284 . 1 1 29 29 VAL HA H 1 3.657 . . 1 . . . . . 29 VAL HA . 27168 1 285 . 1 1 29 29 VAL HB H 1 1.798 . . 1 . . . . . 29 VAL HB . 27168 1 286 . 1 1 29 29 VAL HG11 H 1 0.825 . . 4 . . . . . 29 VAL HG11 . 27168 1 287 . 1 1 29 29 VAL HG12 H 1 0.825 . . 4 . . . . . 29 VAL HG11 . 27168 1 288 . 1 1 29 29 VAL HG13 H 1 0.825 . . 4 . . . . . 29 VAL HG11 . 27168 1 289 . 1 1 29 29 VAL HG21 H 1 0.950 . . 4 . . . . . 29 VAL HG21 . 27168 1 290 . 1 1 29 29 VAL HG22 H 1 0.950 . . 4 . . . . . 29 VAL HG21 . 27168 1 291 . 1 1 29 29 VAL HG23 H 1 0.950 . . 4 . . . . . 29 VAL HG21 . 27168 1 292 . 1 1 29 29 VAL CA C 13 66.087 . . 1 . . . . . 29 VAL CA . 27168 1 293 . 1 1 29 29 VAL CB C 13 31.803 . . 1 . . . . . 29 VAL CB . 27168 1 294 . 1 1 29 29 VAL CG1 C 13 20.429 . . 2 . . . . . 29 VAL CG1 . 27168 1 295 . 1 1 29 29 VAL CG2 C 13 21.770 . . 2 . . . . . 29 VAL CG2 . 27168 1 296 . 1 1 29 29 VAL N N 15 120.875 . . 1 . . . . . 29 VAL N . 27168 1 297 . 1 1 30 30 VAL H H 1 8.539 . . 1 . . . . . 30 VAL HN . 27168 1 298 . 1 1 30 30 VAL HA H 1 4.840 . . 1 . . . . . 30 VAL HA . 27168 1 299 . 1 1 30 30 VAL CA C 13 56.854 . . 1 . . . . . 30 VAL CA . 27168 1 300 . 1 1 30 30 VAL CB C 13 37.542 . . 1 . . . . . 30 VAL CB . 27168 1 301 . 1 1 30 30 VAL N N 15 120.715 . . 1 . . . . . 30 VAL N . 27168 1 302 . 1 1 31 31 LYS H H 1 9.144 . . 1 . . . . . 31 LYS HN . 27168 1 303 . 1 1 31 31 LYS HA H 1 4.191 . . 1 . . . . . 31 LYS HA . 27168 1 304 . 1 1 31 31 LYS HB2 H 1 1.724 . . 2 . . . . . 31 LYS HB1 . 27168 1 305 . 1 1 31 31 LYS HB3 H 1 1.597 . . 2 . . . . . 31 LYS HB2 . 27168 1 306 . 1 1 31 31 LYS HG2 H 1 0.897 . . 2 . . . . . 31 LYS HG1 . 27168 1 307 . 1 1 31 31 LYS HG3 H 1 0.546 . . 2 . . . . . 31 LYS HG2 . 27168 1 308 . 1 1 31 31 LYS HD2 H 1 1.168 . . 2 . . . . . 31 LYS HD1 . 27168 1 309 . 1 1 31 31 LYS HD3 H 1 1.088 . . 2 . . . . . 31 LYS HD2 . 27168 1 310 . 1 1 31 31 LYS HE2 H 1 1.963 . . 2 . . . . . 31 LYS HE1 . 27168 1 311 . 1 1 31 31 LYS HE3 H 1 1.712 . . 2 . . . . . 31 LYS HE2 . 27168 1 312 . 1 1 31 31 LYS CA C 13 59.866 . . 1 . . . . . 31 LYS CA . 27168 1 313 . 1 1 31 31 LYS CB C 13 31.703 . . 1 . . . . . 31 LYS CB . 27168 1 314 . 1 1 31 31 LYS CG C 13 25.813 . . 1 . . . . . 31 LYS CG . 27168 1 315 . 1 1 31 31 LYS CD C 13 28.944 . . 1 . . . . . 31 LYS CD . 27168 1 316 . 1 1 31 31 LYS CE C 13 41.431 . . 1 . . . . . 31 LYS CE . 27168 1 317 . 1 1 31 31 LYS N N 15 122.928 . . 1 . . . . . 31 LYS N . 27168 1 318 . 1 1 32 32 GLN H H 1 7.538 . . 1 . . . . . 32 GLN HN . 27168 1 319 . 1 1 32 32 GLN HA H 1 4.102 . . 1 . . . . . 32 GLN HA . 27168 1 320 . 1 1 32 32 GLN HB2 H 1 2.297 . . 2 . . . . . 32 GLN HB1 . 27168 1 321 . 1 1 32 32 GLN HB3 H 1 2.258 . . 2 . . . . . 32 GLN HB2 . 27168 1 322 . 1 1 32 32 GLN HG2 H 1 2.495 . . 2 . . . . . 32 GLN HG1 . 27168 1 323 . 1 1 32 32 GLN HG3 H 1 2.469 . . 2 . . . . . 32 GLN HG2 . 27168 1 324 . 1 1 32 32 GLN HE21 H 1 6.932 . . 2 . . . . . 32 GLN HE21 . 27168 1 325 . 1 1 32 32 GLN HE22 H 1 7.970 . . 2 . . . . . 32 GLN HE22 . 27168 1 326 . 1 1 32 32 GLN CA C 13 58.787 . . 1 . . . . . 32 GLN CA . 27168 1 327 . 1 1 32 32 GLN CB C 13 28.195 . . 1 . . . . . 32 GLN CB . 27168 1 328 . 1 1 32 32 GLN CG C 13 33.532 . . 1 . . . . . 32 GLN CG . 27168 1 329 . 1 1 32 32 GLN N N 15 120.057 . . 1 . . . . . 32 GLN N . 27168 1 330 . 1 1 32 32 GLN NE2 N 15 115.460 . . 1 . . . . . 32 GLN NE2 . 27168 1 331 . 1 1 33 33 PHE H H 1 8.255 . . 1 . . . . . 33 PHE HN . 27168 1 332 . 1 1 33 33 PHE HA H 1 4.349 . . 1 . . . . . 33 PHE HA . 27168 1 333 . 1 1 33 33 PHE HB2 H 1 3.365 . . 2 . . . . . 33 PHE HB1 . 27168 1 334 . 1 1 33 33 PHE CA C 13 61.737 . . 1 . . . . . 33 PHE CA . 27168 1 335 . 1 1 33 33 PHE CB C 13 38.552 . . 1 . . . . . 33 PHE CB . 27168 1 336 . 1 1 33 33 PHE N N 15 120.654 . . 1 . . . . . 33 PHE N . 27168 1 337 . 1 1 34 34 ALA H H 1 9.210 . . 1 . . . . . 34 ALA HN . 27168 1 338 . 1 1 34 34 ALA HA H 1 3.860 . . 1 . . . . . 34 ALA HA . 27168 1 339 . 1 1 34 34 ALA HB1 H 1 1.893 . . 1 . . . . . 34 ALA HB1 . 27168 1 340 . 1 1 34 34 ALA HB2 H 1 1.893 . . 1 . . . . . 34 ALA HB2 . 27168 1 341 . 1 1 34 34 ALA HB3 H 1 1.893 . . 1 . . . . . 34 ALA HB3 . 27168 1 342 . 1 1 34 34 ALA CA C 13 56.240 . . 1 . . . . . 34 ALA CA . 27168 1 343 . 1 1 34 34 ALA CB C 13 17.928 . . 1 . . . . . 34 ALA CB . 27168 1 344 . 1 1 34 34 ALA N N 15 122.915 . . 1 . . . . . 34 ALA N . 27168 1 345 . 1 1 35 35 ASN H H 1 8.337 . . 1 . . . . . 35 ASN HN . 27168 1 346 . 1 1 35 35 ASN HA H 1 4.503 . . 1 . . . . . 35 ASN HA . 27168 1 347 . 1 1 35 35 ASN HB2 H 1 2.987 . . 2 . . . . . 35 ASN HB1 . 27168 1 348 . 1 1 35 35 ASN HD21 H 1 7.666 . . 2 . . . . . 35 ASN HD21 . 27168 1 349 . 1 1 35 35 ASN HD22 H 1 7.016 . . 2 . . . . . 35 ASN HD22 . 27168 1 350 . 1 1 35 35 ASN CA C 13 56.944 . . 1 . . . . . 35 ASN CA . 27168 1 351 . 1 1 35 35 ASN CB C 13 38.923 . . 1 . . . . . 35 ASN CB . 27168 1 352 . 1 1 35 35 ASN N N 15 117.886 . . 1 . . . . . 35 ASN N . 27168 1 353 . 1 1 35 35 ASN ND2 N 15 112.570 . . 1 . . . . . 35 ASN ND2 . 27168 1 354 . 1 1 36 36 ASP H H 1 8.934 . . 1 . . . . . 36 ASP HN . 27168 1 355 . 1 1 36 36 ASP HA H 1 4.422 . . 1 . . . . . 36 ASP HA . 27168 1 356 . 1 1 36 36 ASP HB2 H 1 2.790 . . 2 . . . . . 36 ASP HB1 . 27168 1 357 . 1 1 36 36 ASP HB3 H 1 2.632 . . 2 . . . . . 36 ASP HB2 . 27168 1 358 . 1 1 36 36 ASP CA C 13 56.969 . . 1 . . . . . 36 ASP CA . 27168 1 359 . 1 1 36 36 ASP CB C 13 40.115 . . 1 . . . . . 36 ASP CB . 27168 1 360 . 1 1 36 36 ASP N N 15 121.400 . . 1 . . . . . 36 ASP N . 27168 1 361 . 1 1 37 37 ASN H H 1 7.462 . . 1 . . . . . 37 ASN HN . 27168 1 362 . 1 1 37 37 ASN HA H 1 4.682 . . 1 . . . . . 37 ASN HA . 27168 1 363 . 1 1 37 37 ASN HB2 H 1 2.742 . . 2 . . . . . 37 ASN HB1 . 27168 1 364 . 1 1 37 37 ASN HB3 H 1 2.158 . . 2 . . . . . 37 ASN HB2 . 27168 1 365 . 1 1 37 37 ASN HD21 H 1 6.745 . . 2 . . . . . 37 ASN HD21 . 27168 1 366 . 1 1 37 37 ASN HD22 H 1 6.458 . . 2 . . . . . 37 ASN HD22 . 27168 1 367 . 1 1 37 37 ASN CA C 13 53.806 . . 1 . . . . . 37 ASN CA . 27168 1 368 . 1 1 37 37 ASN CB C 13 40.175 . . 1 . . . . . 37 ASN CB . 27168 1 369 . 1 1 37 37 ASN N N 15 115.451 . . 1 . . . . . 37 ASN N . 27168 1 370 . 1 1 37 37 ASN ND2 N 15 115.486 . . 1 . . . . . 37 ASN ND2 . 27168 1 371 . 1 1 38 38 GLY H H 1 7.841 . . 1 . . . . . 38 GLY HN . 27168 1 372 . 1 1 38 38 GLY HA2 H 1 3.986 . . 2 . . . . . 38 GLY HA1 . 27168 1 373 . 1 1 38 38 GLY CA C 13 47.057 . . 1 . . . . . 38 GLY CA . 27168 1 374 . 1 1 38 38 GLY N N 15 108.595 . . 1 . . . . . 38 GLY N . 27168 1 375 . 1 1 39 39 VAL H H 1 8.194 . . 1 . . . . . 39 VAL HN . 27168 1 376 . 1 1 39 39 VAL HA H 1 4.227 . . 1 . . . . . 39 VAL HA . 27168 1 377 . 1 1 39 39 VAL HB H 1 1.850 . . 1 . . . . . 39 VAL HB . 27168 1 378 . 1 1 39 39 VAL HG11 H 1 0.858 . . 4 . . . . . 39 VAL HG11 . 27168 1 379 . 1 1 39 39 VAL HG12 H 1 0.858 . . 4 . . . . . 39 VAL HG11 . 27168 1 380 . 1 1 39 39 VAL HG13 H 1 0.858 . . 4 . . . . . 39 VAL HG11 . 27168 1 381 . 1 1 39 39 VAL HG21 H 1 0.724 . . 4 . . . . . 39 VAL HG21 . 27168 1 382 . 1 1 39 39 VAL HG22 H 1 0.724 . . 4 . . . . . 39 VAL HG21 . 27168 1 383 . 1 1 39 39 VAL HG23 H 1 0.724 . . 4 . . . . . 39 VAL HG21 . 27168 1 384 . 1 1 39 39 VAL CA C 13 61.945 . . 1 . . . . . 39 VAL CA . 27168 1 385 . 1 1 39 39 VAL CB C 13 33.390 . . 1 . . . . . 39 VAL CB . 27168 1 386 . 1 1 39 39 VAL CG1 C 13 21.358 . . 2 . . . . . 39 VAL CG1 . 27168 1 387 . 1 1 39 39 VAL CG2 C 13 21.409 . . 2 . . . . . 39 VAL CG2 . 27168 1 388 . 1 1 39 39 VAL N N 15 120.506 . . 1 . . . . . 39 VAL N . 27168 1 389 . 1 1 40 40 ASP H H 1 8.540 . . 1 . . . . . 40 ASP HN . 27168 1 390 . 1 1 40 40 ASP HA H 1 4.957 . . 1 . . . . . 40 ASP HA . 27168 1 391 . 1 1 40 40 ASP HB2 H 1 2.769 . . 2 . . . . . 40 ASP HB1 . 27168 1 392 . 1 1 40 40 ASP HB3 H 1 2.661 . . 2 . . . . . 40 ASP HB2 . 27168 1 393 . 1 1 40 40 ASP CA C 13 52.526 . . 1 . . . . . 40 ASP CA . 27168 1 394 . 1 1 40 40 ASP CB C 13 43.416 . . 1 . . . . . 40 ASP CB . 27168 1 395 . 1 1 40 40 ASP N N 15 127.194 . . 1 . . . . . 40 ASP N . 27168 1 396 . 1 1 41 41 GLY H H 1 8.148 . . 1 . . . . . 41 GLY HN . 27168 1 397 . 1 1 41 41 GLY HA2 H 1 4.216 . . 2 . . . . . 41 GLY HA1 . 27168 1 398 . 1 1 41 41 GLY HA3 H 1 3.890 . . 2 . . . . . 41 GLY HA2 . 27168 1 399 . 1 1 41 41 GLY CA C 13 45.632 . . 1 . . . . . 41 GLY CA . 27168 1 400 . 1 1 41 41 GLY N N 15 107.890 . . 1 . . . . . 41 GLY N . 27168 1 401 . 1 1 42 42 GLU H H 1 8.359 . . 1 . . . . . 42 GLU HN . 27168 1 402 . 1 1 42 42 GLU HA H 1 4.774 . . 1 . . . . . 42 GLU HA . 27168 1 403 . 1 1 42 42 GLU HB2 H 1 2.102 . . 2 . . . . . 42 GLU HB1 . 27168 1 404 . 1 1 42 42 GLU HB3 H 1 2.025 . . 2 . . . . . 42 GLU HB2 . 27168 1 405 . 1 1 42 42 GLU HG2 H 1 2.372 . . 2 . . . . . 42 GLU HG1 . 27168 1 406 . 1 1 42 42 GLU HG3 H 1 2.291 . . 2 . . . . . 42 GLU HG2 . 27168 1 407 . 1 1 42 42 GLU CA C 13 55.526 . . 1 . . . . . 42 GLU CA . 27168 1 408 . 1 1 42 42 GLU CB C 13 31.447 . . 1 . . . . . 42 GLU CB . 27168 1 409 . 1 1 42 42 GLU CG C 13 36.256 . . 1 . . . . . 42 GLU CG . 27168 1 410 . 1 1 42 42 GLU N N 15 121.124 . . 1 . . . . . 42 GLU N . 27168 1 411 . 1 1 43 43 TRP H H 1 9.354 . . 1 . . . . . 43 TRP HN . 27168 1 412 . 1 1 43 43 TRP HA H 1 5.392 . . 1 . . . . . 43 TRP HA . 27168 1 413 . 1 1 43 43 TRP HB2 H 1 3.398 . . 2 . . . . . 43 TRP HB1 . 27168 1 414 . 1 1 43 43 TRP HB3 H 1 3.232 . . 2 . . . . . 43 TRP HB2 . 27168 1 415 . 1 1 43 43 TRP HE1 H 1 10.541 . . 9 . . . . . 43 TRP HE1 . 27168 1 416 . 1 1 43 43 TRP CA C 13 57.884 . . 1 . . . . . 43 TRP CA . 27168 1 417 . 1 1 43 43 TRP CB C 13 30.478 . . 1 . . . . . 43 TRP CB . 27168 1 418 . 1 1 43 43 TRP N N 15 128.455 . . 1 . . . . . 43 TRP N . 27168 1 419 . 1 1 43 43 TRP NE1 N 15 130.554 . . 1 . . . . . 43 TRP NE1 . 27168 1 420 . 1 1 44 44 THR H H 1 9.274 . . 1 . . . . . 44 THR HN . 27168 1 421 . 1 1 44 44 THR HA H 1 4.862 . . 1 . . . . . 44 THR HA . 27168 1 422 . 1 1 44 44 THR HB H 1 4.280 . . 1 . . . . . 44 THR HB . 27168 1 423 . 1 1 44 44 THR HG21 H 1 1.255 . . 1 . . . . . 44 THR HG21 . 27168 1 424 . 1 1 44 44 THR HG22 H 1 1.255 . . 1 . . . . . 44 THR HG21 . 27168 1 425 . 1 1 44 44 THR HG23 H 1 1.255 . . 1 . . . . . 44 THR HG21 . 27168 1 426 . 1 1 44 44 THR CA C 13 60.710 . . 1 . . . . . 44 THR CA . 27168 1 427 . 1 1 44 44 THR CB C 13 72.349 . . 1 . . . . . 44 THR CB . 27168 1 428 . 1 1 44 44 THR CG2 C 13 22.061 . . 1 . . . . . 44 THR CG2 . 27168 1 429 . 1 1 44 44 THR N N 15 115.050 . . 1 . . . . . 44 THR N . 27168 1 430 . 1 1 45 45 TYR H H 1 8.670 . . 1 . . . . . 45 TYR HN . 27168 1 431 . 1 1 45 45 TYR HA H 1 5.045 . . 1 . . . . . 45 TYR HA . 27168 1 432 . 1 1 45 45 TYR HB2 H 1 2.936 . . 2 . . . . . 45 TYR HB1 . 27168 1 433 . 1 1 45 45 TYR HB3 H 1 2.565 . . 2 . . . . . 45 TYR HB2 . 27168 1 434 . 1 1 45 45 TYR CA C 13 57.024 . . 1 . . . . . 45 TYR CA . 27168 1 435 . 1 1 45 45 TYR CB C 13 41.646 . . 1 . . . . . 45 TYR CB . 27168 1 436 . 1 1 45 45 TYR N N 15 121.399 . . 1 . . . . . 45 TYR N . 27168 1 437 . 1 1 46 46 ASP H H 1 7.503 . . 1 . . . . . 46 ASP HN . 27168 1 438 . 1 1 46 46 ASP HA H 1 4.643 . . 1 . . . . . 46 ASP HA . 27168 1 439 . 1 1 46 46 ASP HB2 H 1 2.660 . . 2 . . . . . 46 ASP HB1 . 27168 1 440 . 1 1 46 46 ASP HB3 H 1 2.321 . . 2 . . . . . 46 ASP HB2 . 27168 1 441 . 1 1 46 46 ASP CA C 13 51.826 . . 1 . . . . . 46 ASP CA . 27168 1 442 . 1 1 46 46 ASP CB C 13 43.213 . . 1 . . . . . 46 ASP CB . 27168 1 443 . 1 1 46 46 ASP N N 15 128.439 . . 1 . . . . . 46 ASP N . 27168 1 444 . 1 1 47 47 ASP H H 1 8.647 . . 1 . . . . . 47 ASP HN . 27168 1 445 . 1 1 47 47 ASP HA H 1 4.209 . . 1 . . . . . 47 ASP HA . 27168 1 446 . 1 1 47 47 ASP HB2 H 1 2.585 . . 2 . . . . . 47 ASP HB1 . 27168 1 447 . 1 1 47 47 ASP HB3 H 1 2.889 . . 2 . . . . . 47 ASP HB2 . 27168 1 448 . 1 1 47 47 ASP CA C 13 56.323 . . 1 . . . . . 47 ASP CA . 27168 1 449 . 1 1 47 47 ASP CB C 13 42.185 . . 1 . . . . . 47 ASP CB . 27168 1 450 . 1 1 47 47 ASP N N 15 125.137 . . 1 . . . . . 47 ASP N . 27168 1 451 . 1 1 48 48 ALA H H 1 8.400 . . 1 . . . . . 48 ALA HN . 27168 1 452 . 1 1 48 48 ALA HA H 1 4.172 . . 1 . . . . . 48 ALA HA . 27168 1 453 . 1 1 48 48 ALA HB1 H 1 1.557 . . 1 . . . . . 48 ALA HB1 . 27168 1 454 . 1 1 48 48 ALA HB2 H 1 1.557 . . 1 . . . . . 48 ALA HB1 . 27168 1 455 . 1 1 48 48 ALA HB3 H 1 1.557 . . 1 . . . . . 48 ALA HB1 . 27168 1 456 . 1 1 48 48 ALA CA C 13 55.110 . . 1 . . . . . 48 ALA CA . 27168 1 457 . 1 1 48 48 ALA CB C 13 18.340 . . 1 . . . . . 48 ALA CB . 27168 1 458 . 1 1 48 48 ALA N N 15 120.179 . . 1 . . . . . 48 ALA N . 27168 1 459 . 1 1 49 49 THR H H 1 7.064 . . 1 . . . . . 49 THR HN . 27168 1 460 . 1 1 49 49 THR HA H 1 4.435 . . 1 . . . . . 49 THR HA . 27168 1 461 . 1 1 49 49 THR HB H 1 4.444 . . 1 . . . . . 49 THR HB . 27168 1 462 . 1 1 49 49 THR HG21 H 1 1.128 . . 1 . . . . . 49 THR HG21 . 27168 1 463 . 1 1 49 49 THR HG22 H 1 1.128 . . 1 . . . . . 49 THR HG21 . 27168 1 464 . 1 1 49 49 THR HG23 H 1 1.128 . . 1 . . . . . 49 THR HG21 . 27168 1 465 . 1 1 49 49 THR CA C 13 60.503 . . 1 . . . . . 49 THR CA . 27168 1 466 . 1 1 49 49 THR CB C 13 70.266 . . 1 . . . . . 49 THR CB . 27168 1 467 . 1 1 49 49 THR CG2 C 13 21.292 . . 1 . . . . . 49 THR CG2 . 27168 1 468 . 1 1 49 49 THR N N 15 103.662 . . 1 . . . . . 49 THR N . 27168 1 469 . 1 1 50 50 LYS H H 1 7.907 . . 1 . . . . . 50 LYS HN . 27168 1 470 . 1 1 50 50 LYS HA H 1 4.253 . . 1 . . . . . 50 LYS HA . 27168 1 471 . 1 1 50 50 LYS HB2 H 1 2.132 . . 2 . . . . . 50 LYS HB1 . 27168 1 472 . 1 1 50 50 LYS HG2 H 1 1.456 . . 2 . . . . . 50 LYS HG1 . 27168 1 473 . 1 1 50 50 LYS HG3 H 1 1.284 . . 2 . . . . . 50 LYS HG2 . 27168 1 474 . 1 1 50 50 LYS HD2 H 1 1.766 . . 2 . . . . . 50 LYS HD1 . 27168 1 475 . 1 1 50 50 LYS HD3 H 1 1.474 . . 2 . . . . . 50 LYS HD2 . 27168 1 476 . 1 1 50 50 LYS HE2 H 1 3.023 . . 2 . . . . . 50 LYS HE1 . 27168 1 477 . 1 1 50 50 LYS CA C 13 56.520 . . 1 . . . . . 50 LYS CA . 27168 1 478 . 1 1 50 50 LYS CB C 13 29.455 . . 1 . . . . . 50 LYS CB . 27168 1 479 . 1 1 50 50 LYS CG C 13 24.566 . . 1 . . . . . 50 LYS CG . 27168 1 480 . 1 1 50 50 LYS CD C 13 28.444 . . 1 . . . . . 50 LYS CD . 27168 1 481 . 1 1 50 50 LYS CE C 13 43.050 . . 1 . . . . . 50 LYS CE . 27168 1 482 . 1 1 50 50 LYS N N 15 123.171 . . 1 . . . . . 50 LYS N . 27168 1 483 . 1 1 51 51 THR H H 1 7.395 . . 1 . . . . . 51 THR HN . 27168 1 484 . 1 1 51 51 THR HA H 1 5.510 . . 1 . . . . . 51 THR HA . 27168 1 485 . 1 1 51 51 THR HB H 1 3.805 . . 1 . . . . . 51 THR HB . 27168 1 486 . 1 1 51 51 THR HG21 H 1 0.999 . . 1 . . . . . 51 THR HG21 . 27168 1 487 . 1 1 51 51 THR HG22 H 1 0.999 . . 1 . . . . . 51 THR HG21 . 27168 1 488 . 1 1 51 51 THR HG23 H 1 0.999 . . 1 . . . . . 51 THR HG21 . 27168 1 489 . 1 1 51 51 THR CA C 13 62.205 . . 1 . . . . . 51 THR CA . 27168 1 490 . 1 1 51 51 THR CB C 13 72.108 . . 1 . . . . . 51 THR CB . 27168 1 491 . 1 1 51 51 THR CG2 C 13 20.247 . . 1 . . . . . 51 THR CG2 . 27168 1 492 . 1 1 51 51 THR N N 15 111.090 . . 1 . . . . . 51 THR N . 27168 1 493 . 1 1 52 52 PHE H H 1 10.315 . . 1 . . . . . 52 PHE HN . 27168 1 494 . 1 1 52 52 PHE HA H 1 5.645 . . 1 . . . . . 52 PHE HA . 27168 1 495 . 1 1 52 52 PHE HB2 H 1 3.331 . . 2 . . . . . 52 PHE HB1 . 27168 1 496 . 1 1 52 52 PHE HB3 H 1 3.209 . . 2 . . . . . 52 PHE HB2 . 27168 1 497 . 1 1 52 52 PHE CA C 13 57.383 . . 1 . . . . . 52 PHE CA . 27168 1 498 . 1 1 52 52 PHE CB C 13 42.108 . . 1 . . . . . 52 PHE CB . 27168 1 499 . 1 1 52 52 PHE N N 15 131.315 . . 1 . . . . . 52 PHE N . 27168 1 500 . 1 1 53 53 THR H H 1 9.236 . . 1 . . . . . 53 THR HN . 27168 1 501 . 1 1 53 53 THR HA H 1 5.276 . . 1 . . . . . 53 THR HA . 27168 1 502 . 1 1 53 53 THR HB H 1 3.880 . . 1 . . . . . 53 THR HB . 27168 1 503 . 1 1 53 53 THR HG21 H 1 1.038 . . 1 . . . . . 53 THR HG21 . 27168 1 504 . 1 1 53 53 THR HG22 H 1 1.038 . . 1 . . . . . 53 THR HG21 . 27168 1 505 . 1 1 53 53 THR HG23 H 1 1.038 . . 1 . . . . . 53 THR HG21 . 27168 1 506 . 1 1 53 53 THR CA C 13 61.634 . . 1 . . . . . 53 THR CA . 27168 1 507 . 1 1 53 53 THR CB C 13 70.665 . . 1 . . . . . 53 THR CB . 27168 1 508 . 1 1 53 53 THR CG2 C 13 20.909 . . 1 . . . . . 53 THR CG2 . 27168 1 509 . 1 1 53 53 THR N N 15 118.837 . . 1 . . . . . 53 THR N . 27168 1 510 . 1 1 54 54 VAL H H 1 8.193 . . 1 . . . . . 54 VAL HN . 27168 1 511 . 1 1 54 54 VAL HA H 1 4.524 . . 1 . . . . . 54 VAL HA . 27168 1 512 . 1 1 54 54 VAL HB H 1 0.216 . . 1 . . . . . 54 VAL HB . 27168 1 513 . 1 1 54 54 VAL HG11 H 1 0.324 . . 4 . . . . . 54 VAL HG11 . 27168 1 514 . 1 1 54 54 VAL HG12 H 1 0.324 . . 4 . . . . . 54 VAL HG11 . 27168 1 515 . 1 1 54 54 VAL HG13 H 1 0.324 . . 4 . . . . . 54 VAL HG11 . 27168 1 516 . 1 1 54 54 VAL HG21 H 1 -0.435 . . 4 . . . . . 54 VAL HG21 . 27168 1 517 . 1 1 54 54 VAL HG22 H 1 -0.435 . . 4 . . . . . 54 VAL HG21 . 27168 1 518 . 1 1 54 54 VAL HG23 H 1 -0.435 . . 4 . . . . . 54 VAL HG21 . 27168 1 519 . 1 1 54 54 VAL CA C 13 58.740 . . 1 . . . . . 54 VAL CA . 27168 1 520 . 1 1 54 54 VAL CB C 13 32.433 . . 1 . . . . . 54 VAL CB . 27168 1 521 . 1 1 54 54 VAL CG1 C 13 19.917 . . 2 . . . . . 54 VAL CG1 . 27168 1 522 . 1 1 54 54 VAL CG2 C 13 20.307 . . 2 . . . . . 54 VAL CG2 . 27168 1 523 . 1 1 54 54 VAL N N 15 124.374 . . 1 . . . . . 54 VAL N . 27168 1 524 . 1 1 55 55 THR H H 1 8.489 . . 1 . . . . . 55 THR HN . 27168 1 525 . 1 1 55 55 THR HA H 1 4.747 . . 1 . . . . . 55 THR HA . 27168 1 526 . 1 1 55 55 THR HB H 1 3.961 . . 1 . . . . . 55 THR HB . 27168 1 527 . 1 1 55 55 THR HG21 H 1 1.227 . . 1 . . . . . 55 THR HG21 . 27168 1 528 . 1 1 55 55 THR HG22 H 1 1.227 . . 1 . . . . . 55 THR HG21 . 27168 1 529 . 1 1 55 55 THR HG23 H 1 1.227 . . 1 . . . . . 55 THR HG21 . 27168 1 530 . 1 1 55 55 THR CA C 13 60.841 . . 1 . . . . . 55 THR CA . 27168 1 531 . 1 1 55 55 THR CB C 13 70.559 . . 1 . . . . . 55 THR CB . 27168 1 532 . 1 1 55 55 THR CG2 C 13 21.473 . . 1 . . . . . 55 THR CG2 . 27168 1 533 . 1 1 55 55 THR N N 15 123.519 . . 1 . . . . . 55 THR N . 27168 1 534 . 1 1 56 56 GLU H H 1 8.181 . . 1 . . . . . 56 GLU HN . 27168 1 535 . 1 1 56 56 GLU HA H 1 4.463 . . 1 . . . . . 56 GLU HA . 27168 1 536 . 1 1 56 56 GLU HB2 H 1 2.160 . . 2 . . . . . 56 GLU HB1 . 27168 1 537 . 1 1 56 56 GLU HB3 H 1 2.063 . . 2 . . . . . 56 GLU HB2 . 27168 1 538 . 1 1 56 56 GLU HG2 H 1 2.437 . . 2 . . . . . 56 GLU HG1 . 27168 1 539 . 1 1 56 56 GLU HG3 H 1 2.362 . . 2 . . . . . 56 GLU HG2 . 27168 1 540 . 1 1 56 56 GLU CA C 13 56.556 . . 1 . . . . . 56 GLU CA . 27168 1 541 . 1 1 56 56 GLU CB C 13 31.289 . . 1 . . . . . 56 GLU CB . 27168 1 542 . 1 1 56 56 GLU CG C 13 36.485 . . 1 . . . . . 56 GLU CG . 27168 1 543 . 1 1 56 56 GLU N N 15 127.076 . . 1 . . . . . 56 GLU N . 27168 1 544 . 1 1 57 57 LEU H H 1 8.630 . . 1 . . . . . 57 LEU HN . 27168 1 545 . 1 1 57 57 LEU HA H 1 4.500 . . 1 . . . . . 57 LEU HA . 27168 1 546 . 1 1 57 57 LEU HB2 H 1 1.576 . . 2 . . . . . 57 LEU HB1 . 27168 1 547 . 1 1 57 57 LEU HB3 H 1 1.698 . . 2 . . . . . 57 LEU HB2 . 27168 1 548 . 1 1 57 57 LEU HG H 1 1.642 . . 1 . . . . . 57 LEU HG . 27168 1 549 . 1 1 57 57 LEU HD11 H 1 0.949 . . 4 . . . . . 57 LEU HD11 . 27168 1 550 . 1 1 57 57 LEU HD12 H 1 0.949 . . 4 . . . . . 57 LEU HD11 . 27168 1 551 . 1 1 57 57 LEU HD13 H 1 0.949 . . 4 . . . . . 57 LEU HD11 . 27168 1 552 . 1 1 57 57 LEU HD21 H 1 0.891 . . 4 . . . . . 57 LEU HD21 . 27168 1 553 . 1 1 57 57 LEU HD22 H 1 0.891 . . 4 . . . . . 57 LEU HD21 . 27168 1 554 . 1 1 57 57 LEU HD23 H 1 0.891 . . 4 . . . . . 57 LEU HD21 . 27168 1 555 . 1 1 57 57 LEU CA C 13 55.144 . . 1 . . . . . 57 LEU CA . 27168 1 556 . 1 1 57 57 LEU CB C 13 42.459 . . 1 . . . . . 57 LEU CB . 27168 1 557 . 1 1 57 57 LEU CG C 13 27.171 . . 1 . . . . . 57 LEU CG . 27168 1 558 . 1 1 57 57 LEU CD1 C 13 25.024 . . 2 . . . . . 57 LEU CD1 . 27168 1 559 . 1 1 57 57 LEU CD2 C 13 23.637 . . 2 . . . . . 57 LEU CD2 . 27168 1 560 . 1 1 57 57 LEU N N 15 125.732 . . 1 . . . . . 57 LEU N . 27168 1 561 . 1 1 58 58 VAL H H 1 8.297 . . 1 . . . . . 58 VAL HN . 27168 1 562 . 1 1 58 58 VAL HA H 1 4.472 . . 1 . . . . . 58 VAL HA . 27168 1 563 . 1 1 58 58 VAL HB H 1 2.046 . . 1 . . . . . 58 VAL HB . 27168 1 564 . 1 1 58 58 VAL HG11 H 1 0.971 . . 4 . . . . . 58 VAL HG11 . 27168 1 565 . 1 1 58 58 VAL HG12 H 1 0.971 . . 4 . . . . . 58 VAL HG11 . 27168 1 566 . 1 1 58 58 VAL HG13 H 1 0.971 . . 4 . . . . . 58 VAL HG11 . 27168 1 567 . 1 1 58 58 VAL HG21 H 1 1.009 . . 4 . . . . . 58 VAL HG21 . 27168 1 568 . 1 1 58 58 VAL HG22 H 1 1.009 . . 4 . . . . . 58 VAL HG21 . 27168 1 569 . 1 1 58 58 VAL HG23 H 1 1.009 . . 4 . . . . . 58 VAL HG21 . 27168 1 570 . 1 1 58 58 VAL CA C 13 59.628 . . 1 . . . . . 58 VAL CA . 27168 1 571 . 1 1 58 58 VAL CB C 13 32.948 . . 1 . . . . . 58 VAL CB . 27168 1 572 . 1 1 58 58 VAL CG1 C 13 20.360 . . 2 . . . . . 58 VAL CG1 . 27168 1 573 . 1 1 58 58 VAL CG2 C 13 21.102 . . 2 . . . . . 58 VAL CG2 . 27168 1 574 . 1 1 58 58 VAL N N 15 123.297 . . 1 . . . . . 58 VAL N . 27168 1 575 . 1 1 59 59 PRO HA H 1 4.478 . . 1 . . . . . 59 PRO HA . 27168 1 576 . 1 1 59 59 PRO HB2 H 1 2.347 . . 2 . . . . . 59 PRO HB1 . 27168 1 577 . 1 1 59 59 PRO HB3 H 1 1.942 . . 2 . . . . . 59 PRO HB2 . 27168 1 578 . 1 1 59 59 PRO HG2 H 1 2.106 . . 2 . . . . . 59 PRO HG1 . 27168 1 579 . 1 1 59 59 PRO HG3 H 1 2.020 . . 2 . . . . . 59 PRO HG2 . 27168 1 580 . 1 1 59 59 PRO HD2 H 1 3.898 . . 2 . . . . . 59 PRO HD1 . 27168 1 581 . 1 1 59 59 PRO HD3 H 1 3.738 . . 2 . . . . . 59 PRO HD2 . 27168 1 582 . 1 1 59 59 PRO CA C 13 63.055 . . 1 . . . . . 59 PRO CA . 27168 1 583 . 1 1 59 59 PRO CB C 13 32.171 . . 1 . . . . . 59 PRO CB . 27168 1 584 . 1 1 59 59 PRO CG C 13 27.468 . . 1 . . . . . 59 PRO CG . 27168 1 585 . 1 1 59 59 PRO CD C 13 51.069 . . 1 . . . . . 59 PRO CD . 27168 1 586 . 1 1 60 60 ARG H H 1 8.554 . . 1 . . . . . 60 ARG HN . 27168 1 587 . 1 1 60 60 ARG HA H 1 4.381 . . 1 . . . . . 60 ARG HA . 27168 1 588 . 1 1 60 60 ARG HB2 H 1 1.918 . . 2 . . . . . 60 ARG HB1 . 27168 1 589 . 1 1 60 60 ARG HB3 H 1 1.841 . . 2 . . . . . 60 ARG HB2 . 27168 1 590 . 1 1 60 60 ARG HD2 H 1 2.510 . . 2 . . . . . 60 ARG HD1 . 27168 1 591 . 1 1 60 60 ARG CA C 13 56.391 . . 1 . . . . . 60 ARG CA . 27168 1 592 . 1 1 60 60 ARG CB C 13 31.066 . . 1 . . . . . 60 ARG CB . 27168 1 593 . 1 1 60 60 ARG CD C 13 43.433 . . 1 . . . . . 60 ARG CD . 27168 1 594 . 1 1 60 60 ARG CG C 13 27.130 . . 1 . . . . . 60 ARG CG . 27168 1 595 . 1 1 60 60 ARG N N 15 122.360 . . 1 . . . . . 60 ARG N . 27168 1 596 . 1 1 61 61 GLY H H 1 8.605 . . 1 . . . . . 61 GLY HN . 27168 1 597 . 1 1 61 61 GLY HA2 H 1 4.012 . . 2 . . . . . 61 GLY HA1 . 27168 1 598 . 1 1 61 61 GLY HA3 H 1 4.113 . . 2 . . . . . 61 GLY HA2 . 27168 1 599 . 1 1 61 61 GLY CA C 13 45.219 . . 1 . . . . . 61 GLY CA . 27168 1 600 . 1 1 61 61 GLY N N 15 110.993 . . 1 . . . . . 61 GLY N . 27168 1 601 . 1 1 62 62 SER H H 1 8.366 . . 1 . . . . . 62 SER HN . 27168 1 602 . 1 1 62 62 SER HA H 1 4.524 . . 1 . . . . . 62 SER HA . 27168 1 603 . 1 1 62 62 SER HB2 H 1 3.958 . . 2 . . . . . 62 SER HB1 . 27168 1 604 . 1 1 62 62 SER HB3 H 1 3.893 . . 2 . . . . . 62 SER HB2 . 27168 1 605 . 1 1 62 62 SER CA C 13 58.417 . . 1 . . . . . 62 SER CA . 27168 1 606 . 1 1 62 62 SER CB C 13 64.245 . . 1 . . . . . 62 SER CB . 27168 1 607 . 1 1 62 62 SER N N 15 115.848 . . 1 . . . . . 62 SER N . 27168 1 608 . 1 1 63 63 ASP H H 1 8.561 . . 1 . . . . . 63 ASP HN . 27168 1 609 . 1 1 63 63 ASP HA H 1 4.679 . . 1 . . . . . 63 ASP HA . 27168 1 610 . 1 1 63 63 ASP HB2 H 1 2.765 . . 2 . . . . . 63 ASP HB1 . 27168 1 611 . 1 1 63 63 ASP HB3 H 1 2.680 . . 2 . . . . . 63 ASP HB2 . 27168 1 612 . 1 1 63 63 ASP CA C 13 54.631 . . 1 . . . . . 63 ASP CA . 27168 1 613 . 1 1 63 63 ASP CB C 13 41.064 . . 1 . . . . . 63 ASP CB . 27168 1 614 . 1 1 63 63 ASP N N 15 122.360 . . 1 . . . . . 63 ASP N . 27168 1 615 . 1 1 64 64 ASP H H 1 8.235 . . 1 . . . . . 64 ASP HN . 27168 1 616 . 1 1 64 64 ASP HA H 1 4.611 . . 1 . . . . . 64 ASP HA . 27168 1 617 . 1 1 64 64 ASP HB2 H 1 2.723 . . 2 . . . . . 64 ASP HB1 . 27168 1 618 . 1 1 64 64 ASP HB3 H 1 2.683 . . 2 . . . . . 64 ASP HB2 . 27168 1 619 . 1 1 64 64 ASP CA C 13 54.693 . . 1 . . . . . 64 ASP CA . 27168 1 620 . 1 1 64 64 ASP CB C 13 41.069 . . 1 . . . . . 64 ASP CB . 27168 1 621 . 1 1 64 64 ASP N N 15 120.166 . . 1 . . . . . 64 ASP N . 27168 1 622 . 1 1 65 65 ASP H H 1 8.256 . . 1 . . . . . 65 ASP HN . 27168 1 623 . 1 1 65 65 ASP HA H 1 4.639 . . 1 . . . . . 65 ASP HA . 27168 1 624 . 1 1 65 65 ASP HB2 H 1 2.768 . . 2 . . . . . 65 ASP HB1 . 27168 1 625 . 1 1 65 65 ASP CA C 13 54.693 . . 1 . . . . . 65 ASP CA . 27168 1 626 . 1 1 65 65 ASP CB C 13 41.045 . . 1 . . . . . 65 ASP CB . 27168 1 627 . 1 1 65 65 ASP N N 15 120.180 . . 1 . . . . . 65 ASP N . 27168 1 628 . 1 1 66 66 ASP H H 1 8.331 . . 1 . . . . . 66 ASP HN . 27168 1 629 . 1 1 66 66 ASP HA H 1 4.605 . . 1 . . . . . 66 ASP HA . 27168 1 630 . 1 1 66 66 ASP HB2 H 1 2.734 . . 2 . . . . . 66 ASP HB1 . 27168 1 631 . 1 1 66 66 ASP CA C 13 54.691 . . 1 . . . . . 66 ASP CA . 27168 1 632 . 1 1 66 66 ASP CB C 13 40.747 . . 1 . . . . . 66 ASP CB . 27168 1 633 . 1 1 66 66 ASP N N 15 120.754 . . 1 . . . . . 66 ASP N . 27168 1 634 . 1 1 67 67 LYS H H 1 8.371 . . 1 . . . . . 67 LYS HN . 27168 1 635 . 1 1 67 67 LYS HA H 1 4.381 . . 1 . . . . . 67 LYS HA . 27168 1 636 . 1 1 67 67 LYS HB2 H 1 1.853 . . 2 . . . . . 67 LYS HB1 . 27168 1 637 . 1 1 67 67 LYS HG2 H 1 1.499 . . 2 . . . . . 67 LYS HG1 . 27168 1 638 . 1 1 67 67 LYS HD2 H 1 1.884 . . 2 . . . . . 67 LYS HD1 . 27168 1 639 . 1 1 67 67 LYS HE2 H 1 3.063 . . 2 . . . . . 67 LYS HE1 . 27168 1 640 . 1 1 67 67 LYS CA C 13 56.504 . . 1 . . . . . 67 LYS CA . 27168 1 641 . 1 1 67 67 LYS CB C 13 32.638 . . 1 . . . . . 67 LYS CB . 27168 1 642 . 1 1 67 67 LYS CG C 13 24.758 . . 1 . . . . . 67 LYS CG . 27168 1 643 . 1 1 67 67 LYS CD C 13 29.081 . . 1 . . . . . 67 LYS CD . 27168 1 644 . 1 1 67 67 LYS CE C 13 41.794 . . 1 . . . . . 67 LYS CE . 27168 1 645 . 1 1 67 67 LYS N N 15 121.974 . . 1 . . . . . 67 LYS N . 27168 1 646 . 1 1 68 68 SER H H 1 8.391 . . 1 . . . . . 68 SER HN . 27168 1 647 . 1 1 68 68 SER HA H 1 4.402 . . 1 . . . . . 68 SER HA . 27168 1 648 . 1 1 68 68 SER HB2 H 1 3.960 . . 2 . . . . . 68 SER HB1 . 27168 1 649 . 1 1 68 68 SER CA C 13 59.428 . . 1 . . . . . 68 SER CA . 27168 1 650 . 1 1 68 68 SER CB C 13 63.625 . . 1 . . . . . 68 SER CB . 27168 1 651 . 1 1 68 68 SER N N 15 116.730 . . 1 . . . . . 68 SER N . 27168 1 652 . 1 1 69 69 GLY H H 1 8.494 . . 1 . . . . . 69 GLY HN . 27168 1 653 . 1 1 69 69 GLY HA2 H 1 4.050 . . 2 . . . . . 69 GLY HA1 . 27168 1 654 . 1 1 69 69 GLY HA3 H 1 3.985 . . 2 . . . . . 69 GLY HA2 . 27168 1 655 . 1 1 69 69 GLY CA C 13 45.483 . . 1 . . . . . 69 GLY CA . 27168 1 656 . 1 1 69 69 GLY N N 15 110.807 . . 1 . . . . . 69 GLY N . 27168 1 657 . 1 1 70 70 LEU H H 1 8.088 . . 1 . . . . . 70 LEU HN . 27168 1 658 . 1 1 70 70 LEU HA H 1 4.425 . . 1 . . . . . 70 LEU HA . 27168 1 659 . 1 1 70 70 LEU HB2 H 1 1.709 . . 2 . . . . . 70 LEU HB1 . 27168 1 660 . 1 1 70 70 LEU HB3 H 1 1.650 . . 2 . . . . . 70 LEU HB2 . 27168 1 661 . 1 1 70 70 LEU HG H 1 1.655 . . 1 . . . . . 70 LEU HG . 27168 1 662 . 1 1 70 70 LEU HD11 H 1 0.972 . . 4 . . . . . 70 LEU HD11 . 27168 1 663 . 1 1 70 70 LEU HD12 H 1 0.972 . . 4 . . . . . 70 LEU HD11 . 27168 1 664 . 1 1 70 70 LEU HD13 H 1 0.972 . . 4 . . . . . 70 LEU HD11 . 27168 1 665 . 1 1 70 70 LEU HD21 H 1 0.922 . . 4 . . . . . 70 LEU HD21 . 27168 1 666 . 1 1 70 70 LEU HD22 H 1 0.922 . . 4 . . . . . 70 LEU HD21 . 27168 1 667 . 1 1 70 70 LEU HD23 H 1 0.922 . . 4 . . . . . 70 LEU HD21 . 27168 1 668 . 1 1 70 70 LEU CA C 13 55.313 . . 1 . . . . . 70 LEU CA . 27168 1 669 . 1 1 70 70 LEU CB C 13 42.457 . . 1 . . . . . 70 LEU CB . 27168 1 670 . 1 1 70 70 LEU CG C 13 26.802 . . 1 . . . . . 70 LEU CG . 27168 1 671 . 1 1 70 70 LEU CD1 C 13 24.918 . . 2 . . . . . 70 LEU CD1 . 27168 1 672 . 1 1 70 70 LEU CD2 C 13 23.388 . . 2 . . . . . 70 LEU CD2 . 27168 1 673 . 1 1 70 70 LEU N N 15 121.609 . . 1 . . . . . 70 LEU N . 27168 1 674 . 1 1 71 71 SER H H 1 8.423 . . 1 . . . . . 71 SER HN . 27168 1 675 . 1 1 71 71 SER HA H 1 4.488 . . 1 . . . . . 71 SER HA . 27168 1 676 . 1 1 71 71 SER HB2 H 1 3.894 . . 2 . . . . . 71 SER HB1 . 27168 1 677 . 1 1 71 71 SER CA C 13 58.513 . . 1 . . . . . 71 SER CA . 27168 1 678 . 1 1 71 71 SER CB C 13 63.931 . . 1 . . . . . 71 SER CB . 27168 1 679 . 1 1 71 71 SER N N 15 116.727 . . 1 . . . . . 71 SER N . 27168 1 680 . 1 1 72 72 GLU H H 1 8.592 . . 1 . . . . . 72 GLU HN . 27168 1 681 . 1 1 72 72 GLU HA H 1 4.320 . . 1 . . . . . 72 GLU HA . 27168 1 682 . 1 1 72 72 GLU HB2 H 1 2.122 . . 2 . . . . . 72 GLU HB1 . 27168 1 683 . 1 1 72 72 GLU HB3 H 1 2.022 . . 2 . . . . . 72 GLU HB2 . 27168 1 684 . 1 1 72 72 GLU HG2 H 1 2.350 . . 2 . . . . . 72 GLU HG1 . 27168 1 685 . 1 1 72 72 GLU CA C 13 57.192 . . 1 . . . . . 72 GLU CA . 27168 1 686 . 1 1 72 72 GLU CB C 13 30.281 . . 1 . . . . . 72 GLU CB . 27168 1 687 . 1 1 72 72 GLU CG C 13 35.714 . . 1 . . . . . 72 GLU CG . 27168 1 688 . 1 1 72 72 GLU N N 15 122.891 . . 1 . . . . . 72 GLU N . 27168 1 689 . 1 1 73 73 GLU H H 1 8.518 . . 1 . . . . . 73 GLU HN . 27168 1 690 . 1 1 73 73 GLU HA H 1 4.333 . . 1 . . . . . 73 GLU HA . 27168 1 691 . 1 1 73 73 GLU HB2 H 1 2.110 . . 2 . . . . . 73 GLU HB1 . 27168 1 692 . 1 1 73 73 GLU HB3 H 1 2.000 . . 2 . . . . . 73 GLU HB2 . 27168 1 693 . 1 1 73 73 GLU HG2 H 1 2.341 . . 2 . . . . . 73 GLU HG1 . 27168 1 694 . 1 1 73 73 GLU CA C 13 57.192 . . 1 . . . . . 73 GLU CA . 27168 1 695 . 1 1 73 73 GLU CB C 13 30.281 . . 1 . . . . . 73 GLU CB . 27168 1 696 . 1 1 73 73 GLU CG C 13 35.714 . . 1 . . . . . 73 GLU CG . 27168 1 697 . 1 1 73 73 GLU N N 15 121.208 . . 1 . . . . . 73 GLU N . 27168 1 698 . 1 1 74 74 THR H H 1 8.182 . . 1 . . . . . 74 THR HN . 27168 1 699 . 1 1 74 74 THR HA H 1 4.291 . . 1 . . . . . 74 THR HA . 27168 1 700 . 1 1 74 74 THR HB H 1 4.315 . . 1 . . . . . 74 THR HB . 27168 1 701 . 1 1 74 74 THR HG21 H 1 1.280 . . 1 . . . . . 74 THR HG21 . 27168 1 702 . 1 1 74 74 THR HG22 H 1 1.280 . . 1 . . . . . 74 THR HG21 . 27168 1 703 . 1 1 74 74 THR HG23 H 1 1.280 . . 1 . . . . . 74 THR HG21 . 27168 1 704 . 1 1 74 74 THR CA C 13 62.888 . . 1 . . . . . 74 THR CA . 27168 1 705 . 1 1 74 74 THR CB C 13 69.589 . . 1 . . . . . 74 THR CB . 27168 1 706 . 1 1 74 74 THR CG2 C 13 21.878 . . 1 . . . . . 74 THR CG2 . 27168 1 707 . 1 1 74 74 THR N N 15 115.393 . . 1 . . . . . 74 THR N . 27168 1 708 . 1 1 75 75 GLN H H 1 8.475 . . 1 . . . . . 75 GLN HN . 27168 1 709 . 1 1 75 75 GLN HA H 1 4.320 . . 1 . . . . . 75 GLN HA . 27168 1 710 . 1 1 75 75 GLN HB2 H 1 2.160 . . 2 . . . . . 75 GLN HB1 . 27168 1 711 . 1 1 75 75 GLN HB3 H 1 2.040 . . 2 . . . . . 75 GLN HB2 . 27168 1 712 . 1 1 75 75 GLN HG2 H 1 2.421 . . 2 . . . . . 75 GLN HG1 . 27168 1 713 . 1 1 75 75 GLN HE21 H 1 7.536 . . 2 . . . . . 75 GLN HE21 . 27168 1 714 . 1 1 75 75 GLN HE22 H 1 6.906 . . 2 . . . . . 75 GLN HE22 . 27168 1 715 . 1 1 75 75 GLN CA C 13 56.890 . . 1 . . . . . 75 GLN CA . 27168 1 716 . 1 1 75 75 GLN CB C 13 29.400 . . 1 . . . . . 75 GLN CB . 27168 1 717 . 1 1 75 75 GLN CG C 13 33.545 . . 1 . . . . . 75 GLN CG . 27168 1 718 . 1 1 75 75 GLN N N 15 122.710 . . 1 . . . . . 75 GLN N . 27168 1 719 . 1 1 75 75 GLN NE2 N 15 112.270 . . 1 . . . . . 75 GLN NE2 . 27168 1 720 . 1 1 76 76 VAL H H 1 8.262 . . 1 . . . . . 76 VAL HN . 27168 1 721 . 1 1 76 76 VAL HA H 1 3.962 . . 1 . . . . . 76 VAL HA . 27168 1 722 . 1 1 76 76 VAL HB H 1 2.144 . . 1 . . . . . 76 VAL HB . 27168 1 723 . 1 1 76 76 VAL HG11 H 1 1.037 . . 4 . . . . . 76 VAL HG11 . 27168 1 724 . 1 1 76 76 VAL HG12 H 1 1.037 . . 4 . . . . . 76 VAL HG11 . 27168 1 725 . 1 1 76 76 VAL HG13 H 1 1.037 . . 4 . . . . . 76 VAL HG11 . 27168 1 726 . 1 1 76 76 VAL HG21 H 1 0.991 . . 4 . . . . . 76 VAL HG21 . 27168 1 727 . 1 1 76 76 VAL HG22 H 1 0.991 . . 4 . . . . . 76 VAL HG21 . 27168 1 728 . 1 1 76 76 VAL HG23 H 1 0.991 . . 4 . . . . . 76 VAL HG21 . 27168 1 729 . 1 1 76 76 VAL CA C 13 63.962 . . 1 . . . . . 76 VAL CA . 27168 1 730 . 1 1 76 76 VAL CB C 13 32.241 . . 1 . . . . . 76 VAL CB . 27168 1 731 . 1 1 76 76 VAL CG1 C 13 21.613 . . 2 . . . . . 76 VAL CG1 . 27168 1 732 . 1 1 76 76 VAL CG2 C 13 21.475 . . 2 . . . . . 76 VAL CG2 . 27168 1 733 . 1 1 76 76 VAL N N 15 120.989 . . 1 . . . . . 76 VAL N . 27168 1 734 . 1 1 77 77 LYS H H 1 8.314 . . 1 . . . . . 77 LYS HN . 27168 1 735 . 1 1 77 77 LYS HA H 1 4.275 . . 1 . . . . . 77 LYS HA . 27168 1 736 . 1 1 77 77 LYS HB2 H 1 1.914 . . 2 . . . . . 77 LYS HB1 . 27168 1 737 . 1 1 77 77 LYS HB3 H 1 1.877 . . 2 . . . . . 77 LYS HB2 . 27168 1 738 . 1 1 77 77 LYS HG2 H 1 1.561 . . 2 . . . . . 77 LYS HG1 . 27168 1 739 . 1 1 77 77 LYS HG3 H 1 1.485 . . 2 . . . . . 77 LYS HG2 . 27168 1 740 . 1 1 77 77 LYS HD2 H 1 1.748 . . 2 . . . . . 77 LYS HD1 . 27168 1 741 . 1 1 77 77 LYS HE2 H 1 3.036 . . 2 . . . . . 77 LYS HE1 . 27168 1 742 . 1 1 77 77 LYS CA C 13 57.581 . . 1 . . . . . 77 LYS CA . 27168 1 743 . 1 1 77 77 LYS CB C 13 32.860 . . 1 . . . . . 77 LYS CB . 27168 1 744 . 1 1 77 77 LYS CG C 13 25.150 . . 1 . . . . . 77 LYS CG . 27168 1 745 . 1 1 77 77 LYS CD C 13 29.169 . . 1 . . . . . 77 LYS CD . 27168 1 746 . 1 1 77 77 LYS CE C 13 42.200 . . 1 . . . . . 77 LYS CE . 27168 1 747 . 1 1 77 77 LYS N N 15 123.934 . . 1 . . . . . 77 LYS N . 27168 1 748 . 1 1 78 78 CYS H H 1 8.358 . . 1 . . . . . 78 CYS HN . 27168 1 749 . 1 1 78 78 CYS HA H 1 4.505 . . 1 . . . . . 78 CYS HA . 27168 1 750 . 1 1 78 78 CYS HB2 H 1 3.078 . . 2 . . . . . 78 CYS HB1 . 27168 1 751 . 1 1 78 78 CYS CA C 13 59.630 . . 1 . . . . . 78 CYS CA . 27168 1 752 . 1 1 78 78 CYS CB C 13 27.719 . . 1 . . . . . 78 CYS CB . 27168 1 753 . 1 1 78 78 CYS N N 15 119.146 . . 1 . . . . . 78 CYS N . 27168 1 754 . 1 1 79 79 LEU H H 1 8.393 . . 1 . . . . . 79 LEU HN . 27168 1 755 . 1 1 79 79 LEU HA H 1 4.255 . . 1 . . . . . 79 LEU HA . 27168 1 756 . 1 1 79 79 LEU HB2 H 1 1.835 . . 2 . . . . . 79 LEU HB1 . 27168 1 757 . 1 1 79 79 LEU HB3 H 1 1.660 . . 2 . . . . . 79 LEU HB2 . 27168 1 758 . 1 1 79 79 LEU HG H 1 1.784 . . 1 . . . . . 79 LEU HG . 27168 1 759 . 1 1 79 79 LEU HD11 H 1 0.992 . . 4 . . . . . 79 LEU HD11 . 27168 1 760 . 1 1 79 79 LEU HD12 H 1 0.992 . . 4 . . . . . 79 LEU HD11 . 27168 1 761 . 1 1 79 79 LEU HD13 H 1 0.992 . . 4 . . . . . 79 LEU HD11 . 27168 1 762 . 1 1 79 79 LEU HD21 H 1 0.941 . . 4 . . . . . 79 LEU HD21 . 27168 1 763 . 1 1 79 79 LEU HD22 H 1 0.941 . . 4 . . . . . 79 LEU HD21 . 27168 1 764 . 1 1 79 79 LEU HD23 H 1 0.941 . . 4 . . . . . 79 LEU HD21 . 27168 1 765 . 1 1 79 79 LEU CA C 13 57.050 . . 1 . . . . . 79 LEU CA . 27168 1 766 . 1 1 79 79 LEU CB C 13 42.092 . . 1 . . . . . 79 LEU CB . 27168 1 767 . 1 1 79 79 LEU CG C 13 27.259 . . 1 . . . . . 79 LEU CG . 27168 1 768 . 1 1 79 79 LEU CD1 C 13 25.137 . . 2 . . . . . 79 LEU CD1 . 27168 1 769 . 1 1 79 79 LEU CD2 C 13 23.939 . . 2 . . . . . 79 LEU CD2 . 27168 1 770 . 1 1 79 79 LEU N N 15 123.444 . . 1 . . . . . 79 LEU N . 27168 1 771 . 1 1 80 80 MET H H 1 8.417 . . 1 . . . . . 80 MET HN . 27168 1 772 . 1 1 80 80 MET HA H 1 4.327 . . 1 . . . . . 80 MET HA . 27168 1 773 . 1 1 80 80 MET HB2 H 1 2.124 . . 2 . . . . . 80 MET HB1 . 27168 1 774 . 1 1 80 80 MET HG2 H 1 2.705 . . 2 . . . . . 80 MET HG1 . 27168 1 775 . 1 1 80 80 MET HG3 H 1 2.580 . . 2 . . . . . 80 MET HG2 . 27168 1 776 . 1 1 80 80 MET CA C 13 57.193 . . 1 . . . . . 80 MET CA . 27168 1 777 . 1 1 80 80 MET CB C 13 33.033 . . 1 . . . . . 80 MET CB . 27168 1 778 . 1 1 80 80 MET CG C 13 32.444 . . 1 . . . . . 80 MET CG . 27168 1 779 . 1 1 80 80 MET N N 15 118.555 . . 1 . . . . . 80 MET N . 27168 1 780 . 1 1 81 81 ASP H H 1 8.197 . . 1 . . . . . 81 ASP HN . 27168 1 781 . 1 1 81 81 ASP HA H 1 4.526 . . 1 . . . . . 81 ASP HA . 27168 1 782 . 1 1 81 81 ASP HB2 H 1 2.770 . . 2 . . . . . 81 ASP HB1 . 27168 1 783 . 1 1 81 81 ASP CA C 13 55.704 . . 1 . . . . . 81 ASP CA . 27168 1 784 . 1 1 81 81 ASP CB C 13 40.812 . . 1 . . . . . 81 ASP CB . 27168 1 785 . 1 1 81 81 ASP N N 15 120.086 . . 1 . . . . . 81 ASP N . 27168 1 786 . 1 1 82 82 GLN H H 1 8.068 . . 1 . . . . . 82 GLN HN . 27168 1 787 . 1 1 82 82 GLN HA H 1 4.330 . . 1 . . . . . 82 GLN HA . 27168 1 788 . 1 1 82 82 GLN HB2 H 1 2.114 . . 2 . . . . . 82 GLN HB1 . 27168 1 789 . 1 1 82 82 GLN HB3 H 1 2.033 . . 2 . . . . . 82 GLN HB2 . 27168 1 790 . 1 1 82 82 GLN HG2 H 1 2.435 . . 2 . . . . . 82 GLN HG1 . 27168 1 791 . 1 1 82 82 GLN HE21 H 1 7.453 . . 2 . . . . . 82 GLN HE21 . 27168 1 792 . 1 1 82 82 GLN HE22 H 1 6.863 . . 2 . . . . . 82 GLN HE22 . 27168 1 793 . 1 1 82 82 GLN CA C 13 56.891 . . 1 . . . . . 82 GLN CA . 27168 1 794 . 1 1 82 82 GLN CB C 13 29.707 . . 1 . . . . . 82 GLN CB . 27168 1 795 . 1 1 82 82 GLN CG C 13 34.070 . . 1 . . . . . 82 GLN CG . 27168 1 796 . 1 1 82 82 GLN N N 15 119.130 . . 1 . . . . . 82 GLN N . 27168 1 797 . 1 1 82 82 GLN NE2 N 15 111.789 . . 1 . . . . . 82 GLN NE2 . 27168 1 798 . 1 1 83 83 ALA H H 1 8.194 . . 1 . . . . . 83 ALA HN . 27168 1 799 . 1 1 83 83 ALA HA H 1 4.317 . . 1 . . . . . 83 ALA HA . 27168 1 800 . 1 1 83 83 ALA HB1 H 1 1.497 . . 1 . . . . . 83 ALA HB1 . 27168 1 801 . 1 1 83 83 ALA HB2 H 1 1.497 . . 1 . . . . . 83 ALA HB1 . 27168 1 802 . 1 1 83 83 ALA HB3 H 1 1.497 . . 1 . . . . . 83 ALA HB1 . 27168 1 803 . 1 1 83 83 ALA CA C 13 53.222 . . 1 . . . . . 83 ALA CA . 27168 1 804 . 1 1 83 83 ALA CB C 13 19.292 . . 1 . . . . . 83 ALA CB . 27168 1 805 . 1 1 83 83 ALA N N 15 121.930 . . 1 . . . . . 83 ALA N . 27168 1 806 . 1 1 84 84 THR H H 1 7.732 . . 1 . . . . . 84 THR HN . 27168 1 807 . 1 1 84 84 THR HA H 1 4.349 . . 1 . . . . . 84 THR HA . 27168 1 808 . 1 1 84 84 THR HB H 1 4.351 . . 1 . . . . . 84 THR HB . 27168 1 809 . 1 1 84 84 THR HG21 H 1 1.257 . . 1 . . . . . 84 THR HG21 . 27168 1 810 . 1 1 84 84 THR HG22 H 1 1.257 . . 1 . . . . . 84 THR HG21 . 27168 1 811 . 1 1 84 84 THR HG23 H 1 1.257 . . 1 . . . . . 84 THR HG21 . 27168 1 812 . 1 1 84 84 THR CA C 13 61.416 . . 1 . . . . . 84 THR CA . 27168 1 813 . 1 1 84 84 THR CB C 13 69.667 . . 1 . . . . . 84 THR CB . 27168 1 814 . 1 1 84 84 THR CG2 C 13 21.838 . . 1 . . . . . 84 THR CG2 . 27168 1 815 . 1 1 84 84 THR N N 15 108.244 . . 1 . . . . . 84 THR N . 27168 1 816 . 1 1 85 85 ASP H H 1 7.904 . . 1 . . . . . 85 ASP HN . 27168 1 817 . 1 1 85 85 ASP HA H 1 4.913 . . 1 . . . . . 85 ASP HA . 27168 1 818 . 1 1 85 85 ASP HB2 H 1 2.910 . . 2 . . . . . 85 ASP HB1 . 27168 1 819 . 1 1 85 85 ASP HB3 H 1 2.723 . . 2 . . . . . 85 ASP HB2 . 27168 1 820 . 1 1 85 85 ASP CA C 13 52.034 . . 1 . . . . . 85 ASP CA . 27168 1 821 . 1 1 85 85 ASP CB C 13 41.950 . . 1 . . . . . 85 ASP CB . 27168 1 822 . 1 1 85 85 ASP N N 15 123.894 . . 1 . . . . . 85 ASP N . 27168 1 823 . 1 1 86 86 PRO HA H 1 4.426 . . 1 . . . . . 86 PRO HA . 27168 1 824 . 1 1 86 86 PRO HB2 H 1 2.333 . . 2 . . . . . 86 PRO HB1 . 27168 1 825 . 1 1 86 86 PRO HB3 H 1 2.030 . . 2 . . . . . 86 PRO HB2 . 27168 1 826 . 1 1 86 86 PRO HG2 H 1 2.070 . . 2 . . . . . 86 PRO HG1 . 27168 1 827 . 1 1 86 86 PRO HD2 H 1 3.912 . . 2 . . . . . 86 PRO HD1 . 27168 1 828 . 1 1 86 86 PRO HD3 H 1 3.990 . . 2 . . . . . 86 PRO HD2 . 27168 1 829 . 1 1 86 86 PRO CA C 13 64.040 . . 1 . . . . . 86 PRO CA . 27168 1 830 . 1 1 86 86 PRO CB C 13 32.150 . . 1 . . . . . 86 PRO CB . 27168 1 831 . 1 1 86 86 PRO CG C 13 27.200 . . 1 . . . . . 86 PRO CG . 27168 1 832 . 1 1 86 86 PRO CD C 13 50.882 . . 1 . . . . . 86 PRO CD . 27168 1 833 . 1 1 87 87 ASN H H 1 8.716 . . 1 . . . . . 87 ASN HN . 27168 1 834 . 1 1 87 87 ASN HA H 1 4.700 . . 1 . . . . . 87 ASN HA . 27168 1 835 . 1 1 87 87 ASN HB2 H 1 2.884 . . 2 . . . . . 87 ASN HB1 . 27168 1 836 . 1 1 87 87 ASN HB3 H 1 2.845 . . 2 . . . . . 87 ASN HB2 . 27168 1 837 . 1 1 87 87 ASN HD21 H 1 7.935 . . 2 . . . . . 87 ASN HD21 . 27168 1 838 . 1 1 87 87 ASN HD22 H 1 6.989 . . 2 . . . . . 87 ASN HD22 . 27168 1 839 . 1 1 87 87 ASN CA C 13 54.092 . . 1 . . . . . 87 ASN CA . 27168 1 840 . 1 1 87 87 ASN CB C 13 38.778 . . 1 . . . . . 87 ASN CB . 27168 1 841 . 1 1 87 87 ASN N N 15 117.603 . . 1 . . . . . 87 ASN N . 27168 1 842 . 1 1 87 87 ASN ND2 N 15 114.129 . . 1 . . . . . 87 ASN ND2 . 27168 1 843 . 1 1 88 88 ILE H H 1 8.065 . . 1 . . . . . 88 ILE HN . 27168 1 844 . 1 1 88 88 ILE HA H 1 4.085 . . 1 . . . . . 88 ILE HA . 27168 1 845 . 1 1 88 88 ILE HB H 1 2.075 . . 1 . . . . . 88 ILE HB . 27168 1 846 . 1 1 88 88 ILE HG12 H 1 1.568 . . 9 . . . . . 88 ILE HG11 . 27168 1 847 . 1 1 88 88 ILE HG13 H 1 1.298 . . 9 . . . . . 88 ILE HG12 . 27168 1 848 . 1 1 88 88 ILE HG21 H 1 0.990 . . 4 . . . . . 88 ILE HG21 . 27168 1 849 . 1 1 88 88 ILE HG22 H 1 0.990 . . 4 . . . . . 88 ILE HG21 . 27168 1 850 . 1 1 88 88 ILE HG23 H 1 0.990 . . 4 . . . . . 88 ILE HG21 . 27168 1 851 . 1 1 88 88 ILE HD11 H 1 0.959 . . 1 . . . . . 88 ILE HD11 . 27168 1 852 . 1 1 88 88 ILE HD12 H 1 0.959 . . 1 . . . . . 88 ILE HD11 . 27168 1 853 . 1 1 88 88 ILE HD13 H 1 0.959 . . 1 . . . . . 88 ILE HD11 . 27168 1 854 . 1 1 88 88 ILE CA C 13 62.763 . . 1 . . . . . 88 ILE CA . 27168 1 855 . 1 1 88 88 ILE CB C 13 38.427 . . 1 . . . . . 88 ILE CB . 27168 1 856 . 1 1 88 88 ILE CG1 C 13 28.086 . . 1 . . . . . 88 ILE CG1 . 27168 1 857 . 1 1 88 88 ILE CG2 C 13 17.769 . . 1 . . . . . 88 ILE CG2 . 27168 1 858 . 1 1 88 88 ILE CD1 C 13 13.287 . . 1 . . . . . 88 ILE CD1 . 27168 1 859 . 1 1 88 88 ILE N N 15 120.422 . . 1 . . . . . 88 ILE N . 27168 1 860 . 1 1 89 89 LEU H H 1 8.220 . . 1 . . . . . 89 LEU HN . 27168 1 861 . 1 1 89 89 LEU HA H 1 4.280 . . 1 . . . . . 89 LEU HA . 27168 1 862 . 1 1 89 89 LEU HB2 H 1 1.836 . . 2 . . . . . 89 LEU HB1 . 27168 1 863 . 1 1 89 89 LEU HB3 H 1 1.660 . . 2 . . . . . 89 LEU HB2 . 27168 1 864 . 1 1 89 89 LEU HG H 1 1.657 . . 1 . . . . . 89 LEU HG . 27168 1 865 . 1 1 89 89 LEU HD11 H 1 0.952 . . 4 . . . . . 89 LEU HD11 . 27168 1 866 . 1 1 89 89 LEU HD12 H 1 0.952 . . 4 . . . . . 89 LEU HD11 . 27168 1 867 . 1 1 89 89 LEU HD13 H 1 0.952 . . 4 . . . . . 89 LEU HD11 . 27168 1 868 . 1 1 89 89 LEU HD21 H 1 0.906 . . 4 . . . . . 89 LEU HD21 . 27168 1 869 . 1 1 89 89 LEU HD22 H 1 0.906 . . 4 . . . . . 89 LEU HD21 . 27168 1 870 . 1 1 89 89 LEU HD23 H 1 0.906 . . 4 . . . . . 89 LEU HD21 . 27168 1 871 . 1 1 89 89 LEU CA C 13 56.165 . . 1 . . . . . 89 LEU CA . 27168 1 872 . 1 1 89 89 LEU CB C 13 41.651 . . 1 . . . . . 89 LEU CB . 27168 1 873 . 1 1 89 89 LEU CG C 13 27.091 . . 1 . . . . . 89 LEU CG . 27168 1 874 . 1 1 89 89 LEU CD1 C 13 25.413 . . 2 . . . . . 89 LEU CD1 . 27168 1 875 . 1 1 89 89 LEU CD2 C 13 23.304 . . 2 . . . . . 89 LEU CD2 . 27168 1 876 . 1 1 89 89 LEU N N 15 121.003 . . 1 . . . . . 89 LEU N . 27168 1 877 . 1 1 90 90 GLY H H 1 8.136 . . 1 . . . . . 90 GLY HN . 27168 1 878 . 1 1 90 90 GLY HA2 H 1 3.960 . . 2 . . . . . 90 GLY HA1 . 27168 1 879 . 1 1 90 90 GLY CA C 13 45.947 . . 1 . . . . . 90 GLY CA . 27168 1 880 . 1 1 90 90 GLY N N 15 106.682 . . 1 . . . . . 90 GLY N . 27168 1 881 . 1 1 91 91 ARG H H 1 7.992 . . 1 . . . . . 91 ARG HN . 27168 1 882 . 1 1 91 91 ARG HA H 1 4.384 . . 1 . . . . . 91 ARG HA . 27168 1 883 . 1 1 91 91 ARG HB2 H 1 1.843 . . 2 . . . . . 91 ARG HB1 . 27168 1 884 . 1 1 91 91 ARG HB3 H 1 1.787 . . 2 . . . . . 91 ARG HB2 . 27168 1 885 . 1 1 91 91 ARG HG2 H 1 1.612 . . 2 . . . . . 91 ARG HG1 . 27168 1 886 . 1 1 91 91 ARG HD2 H 1 3.123 . . 2 . . . . . 91 ARG HD1 . 27168 1 887 . 1 1 91 91 ARG CA C 13 56.500 . . 1 . . . . . 91 ARG CA . 27168 1 888 . 1 1 91 91 ARG CB C 13 30.990 . . 1 . . . . . 91 ARG CB . 27168 1 889 . 1 1 91 91 ARG CG C 13 27.087 . . 1 . . . . . 91 ARG CG . 27168 1 890 . 1 1 91 91 ARG CD C 13 43.351 . . 1 . . . . . 91 ARG CD . 27168 1 891 . 1 1 91 91 ARG N N 15 119.529 . . 1 . . . . . 91 ARG N . 27168 1 892 . 1 1 92 92 THR H H 1 8.102 . . 1 . . . . . 92 THR HN . 27168 1 893 . 1 1 92 92 THR HA H 1 4.300 . . 1 . . . . . 92 THR HA . 27168 1 894 . 1 1 92 92 THR HB H 1 4.234 . . 1 . . . . . 92 THR HB . 27168 1 895 . 1 1 92 92 THR HG21 H 1 1.183 . . 1 . . . . . 92 THR HG21 . 27168 1 896 . 1 1 92 92 THR HG22 H 1 1.183 . . 1 . . . . . 92 THR HG21 . 27168 1 897 . 1 1 92 92 THR HG23 H 1 1.183 . . 1 . . . . . 92 THR HG21 . 27168 1 898 . 1 1 92 92 THR CA C 13 62.895 . . 1 . . . . . 92 THR CA . 27168 1 899 . 1 1 92 92 THR CB C 13 69.589 . . 1 . . . . . 92 THR CB . 27168 1 900 . 1 1 92 92 THR CG2 C 13 21.688 . . 1 . . . . . 92 THR CG2 . 27168 1 901 . 1 1 92 92 THR N N 15 114.080 . . 1 . . . . . 92 THR N . 27168 1 902 . 1 1 93 93 TRP H H 1 8.311 . . 1 . . . . . 93 TRP HN . 27168 1 903 . 1 1 93 93 TRP HA H 1 4.616 . . 1 . . . . . 93 TRP HA . 27168 1 904 . 1 1 93 93 TRP HB2 H 1 3.362 . . 2 . . . . . 93 TRP HB1 . 27168 1 905 . 1 1 93 93 TRP CA C 13 57.534 . . 1 . . . . . 93 TRP CA . 27168 1 906 . 1 1 93 93 TRP CB C 13 29.498 . . 1 . . . . . 93 TRP CB . 27168 1 907 . 1 1 93 93 TRP N N 15 121.970 . . 1 . . . . . 93 TRP N . 27168 1 908 . 1 1 94 94 GLU H H 1 8.273 . . 1 . . . . . 94 GLU HN . 27168 1 909 . 1 1 94 94 GLU HA H 1 4.216 . . 1 . . . . . 94 GLU HA . 27168 1 910 . 1 1 94 94 GLU HB2 H 1 2.108 . . 2 . . . . . 94 GLU HB1 . 27168 1 911 . 1 1 94 94 GLU HB3 H 1 2.016 . . 2 . . . . . 94 GLU HB2 . 27168 1 912 . 1 1 94 94 GLU HG2 H 1 2.319 . . 2 . . . . . 94 GLU HG1 . 27168 1 913 . 1 1 94 94 GLU CA C 13 57.873 . . 1 . . . . . 94 GLU CA . 27168 1 914 . 1 1 94 94 GLU CB C 13 29.600 . . 1 . . . . . 94 GLU CB . 27168 1 915 . 1 1 94 94 GLU CG C 13 35.910 . . 1 . . . . . 94 GLU CG . 27168 1 916 . 1 1 94 94 GLU N N 15 120.999 . . 1 . . . . . 94 GLU N . 27168 1 917 . 1 1 95 95 GLY H H 1 8.288 . . 1 . . . . . 95 GLY HN . 27168 1 918 . 1 1 95 95 GLY HA2 H 1 4.196 . . 2 . . . . . 95 GLY HA1 . 27168 1 919 . 1 1 95 95 GLY HA3 H 1 3.897 . . 2 . . . . . 95 GLY HA2 . 27168 1 920 . 1 1 95 95 GLY CA C 13 45.451 . . 1 . . . . . 95 GLY CA . 27168 1 921 . 1 1 95 95 GLY N N 15 109.287 . . 1 . . . . . 95 GLY N . 27168 1 922 . 1 1 96 96 TRP H H 1 7.952 . . 1 . . . . . 96 TRP HN . 27168 1 923 . 1 1 96 96 TRP HA H 1 4.613 . . 1 . . . . . 96 TRP HA . 27168 1 924 . 1 1 96 96 TRP HB2 H 1 3.405 . . 2 . . . . . 96 TRP HB1 . 27168 1 925 . 1 1 96 96 TRP HB3 H 1 3.243 . . 2 . . . . . 96 TRP HB2 . 27168 1 926 . 1 1 96 96 TRP CA C 13 57.528 . . 1 . . . . . 96 TRP CA . 27168 1 927 . 1 1 96 96 TRP CB C 13 29.489 . . 1 . . . . . 96 TRP CB . 27168 1 928 . 1 1 96 96 TRP N N 15 120.756 . . 1 . . . . . 96 TRP N . 27168 1 929 . 1 1 97 97 GLU H H 1 8.149 . . 1 . . . . . 97 GLU HN . 27168 1 930 . 1 1 97 97 GLU HA H 1 4.156 . . 1 . . . . . 97 GLU HA . 27168 1 931 . 1 1 97 97 GLU HB2 H 1 1.628 . . 2 . . . . . 97 GLU HB1 . 27168 1 932 . 1 1 97 97 GLU HB3 H 1 1.508 . . 2 . . . . . 97 GLU HB2 . 27168 1 933 . 1 1 97 97 GLU HG2 H 1 2.190 . . 2 . . . . . 97 GLU HG1 . 27168 1 934 . 1 1 97 97 GLU CA C 13 55.092 . . 1 . . . . . 97 GLU CA . 27168 1 935 . 1 1 97 97 GLU CB C 13 29.300 . . 1 . . . . . 97 GLU CB . 27168 1 936 . 1 1 97 97 GLU CG C 13 34.802 . . 1 . . . . . 97 GLU CG . 27168 1 937 . 1 1 97 97 GLU N N 15 122.655 . . 1 . . . . . 97 GLU N . 27168 1 938 . 1 1 98 98 PRO HA H 1 4.165 . . 1 . . . . . 98 PRO HA . 27168 1 939 . 1 1 98 98 PRO HB2 H 1 2.015 . . 2 . . . . . 98 PRO HB1 . 27168 1 940 . 1 1 98 98 PRO HG2 H 1 1.610 . . 2 . . . . . 98 PRO HG1 . 27168 1 941 . 1 1 98 98 PRO HD2 H 1 3.289 . . 2 . . . . . 98 PRO HD1 . 27168 1 942 . 1 1 98 98 PRO HD3 H 1 3.259 . . 2 . . . . . 98 PRO HD2 . 27168 1 943 . 1 1 98 98 PRO CA C 13 63.961 . . 1 . . . . . 98 PRO CA . 27168 1 944 . 1 1 98 98 PRO CB C 13 31.600 . . 1 . . . . . 98 PRO CB . 27168 1 945 . 1 1 98 98 PRO CG C 13 27.300 . . 1 . . . . . 98 PRO CG . 27168 1 946 . 1 1 98 98 PRO CD C 13 50.206 . . 1 . . . . . 98 PRO CD . 27168 1 947 . 1 1 99 99 TRP H H 1 7.470 . . 1 . . . . . 99 TRP HN . 27168 1 948 . 1 1 99 99 TRP HA H 1 4.651 . . 1 . . . . . 99 TRP HA . 27168 1 949 . 1 1 99 99 TRP HB2 H 1 3.388 . . 2 . . . . . 99 TRP HB1 . 27168 1 950 . 1 1 99 99 TRP CA C 13 57.307 . . 1 . . . . . 99 TRP CA . 27168 1 951 . 1 1 99 99 TRP CB C 13 29.209 . . 1 . . . . . 99 TRP CB . 27168 1 952 . 1 1 99 99 TRP N N 15 116.538 . . 1 . . . . . 99 TRP N . 27168 1 953 . 1 1 100 100 MET H H 1 7.525 . . 1 . . . . . 100 MET HN . 27168 1 954 . 1 1 100 100 MET HA H 1 4.331 . . 1 . . . . . 100 MET HA . 27168 1 955 . 1 1 100 100 MET HB2 H 1 1.928 . . 2 . . . . . 100 MET HB1 . 27168 1 956 . 1 1 100 100 MET HB3 H 1 2.049 . . 2 . . . . . 100 MET HB2 . 27168 1 957 . 1 1 100 100 MET HG2 H 1 2.479 . . 2 . . . . . 100 MET HG1 . 27168 1 958 . 1 1 100 100 MET HG3 H 1 2.382 . . 2 . . . . . 100 MET HG2 . 27168 1 959 . 1 1 100 100 MET CA C 13 56.818 . . 1 . . . . . 100 MET CA . 27168 1 960 . 1 1 100 100 MET CB C 13 33.900 . . 1 . . . . . 100 MET CB . 27168 1 961 . 1 1 100 100 MET CG C 13 32.716 . . 1 . . . . . 100 MET CG . 27168 1 962 . 1 1 100 100 MET N N 15 124.063 . . 1 . . . . . 100 MET N . 27168 1 stop_ save_