data_26025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26025 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Q4DY78 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-03 _Entry.Accession_date 2016-04-03 _Entry.Last_release_date 2016-07-12 _Entry.Original_release_date 2016-07-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Everton D'Andrea . D. . . 26025 2 Anne Diehl . . . . 26025 3 Peter Schmieder . . . . 26025 4 Hartmut Oschkinat . . . . 26025 5 Jose Pires . R. . . 26025 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universidade Federal do Rio de Janeiro' . 26025 2 . 'Centro Nacional de Resson ncia Magn tica Nuclear, CNRMN' . 26025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 26025 '15N chemical shifts' 106 26025 '1H chemical shifts' 718 26025 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-10-12 2016-04-03 update BMRB 'update entry citation' 26025 1 . . 2016-07-12 2016-04-03 original author 'original release' 26025 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26025 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27356988 _Citation.Full_citation . _Citation.Title ; Chemical shift assignments and secondary structure prediction for Q4DY78, a conserved kinetoplastid-specific protein from Trypanosoma cruzi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 325 _Citation.Page_last 328 _Citation.Year 2016 _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 Everton D'Andrea . D. . . 26025 1 2 Anne Diehl . . . . 26025 1 3 Peter Schmieder . . . . 26025 1 4 Hartmut Oschkinat . . . . 26025 1 5 Jose Pires . R. . . 26025 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Hypothetical protein' 26025 1 Kinetoplastids 26025 1 'NMR Assignments' 26025 1 'Neglected diseases' 26025 1 Q4DY78 26025 1 'Trypanosoma cruzi' 26025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26025 _Assembly.ID 1 _Assembly.Name 'Q4DY78 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12510 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Q4DY78 monomer' 1 $Q4DY78 A . yes native no no . . . 26025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Q4DY78 _Entity.Sf_category entity _Entity.Sf_framecode Q4DY78 _Entity.Entry_ID 26025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Q4DY78 _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 ; GSAMGHMVKISHEDTQRIKT AFLSYAQGQDKVTEAMIDQL ICGAFPGLSWEQLQEKKKGR AAANGYDRSAFFSLVASDEQ YVRFIAQHFPCAPEEEKPPE IDALELKTQKGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 26025 1 2 . SER . 26025 1 3 . ALA . 26025 1 4 . MET . 26025 1 5 . GLY . 26025 1 6 . HIS . 26025 1 7 . MET . 26025 1 8 . VAL . 26025 1 9 . LYS . 26025 1 10 . ILE . 26025 1 11 . SER . 26025 1 12 . HIS . 26025 1 13 . GLU . 26025 1 14 . ASP . 26025 1 15 . THR . 26025 1 16 . GLN . 26025 1 17 . ARG . 26025 1 18 . ILE . 26025 1 19 . LYS . 26025 1 20 . THR . 26025 1 21 . ALA . 26025 1 22 . PHE . 26025 1 23 . LEU . 26025 1 24 . SER . 26025 1 25 . TYR . 26025 1 26 . ALA . 26025 1 27 . GLN . 26025 1 28 . GLY . 26025 1 29 . GLN . 26025 1 30 . ASP . 26025 1 31 . LYS . 26025 1 32 . VAL . 26025 1 33 . THR . 26025 1 34 . GLU . 26025 1 35 . ALA . 26025 1 36 . MET . 26025 1 37 . ILE . 26025 1 38 . ASP . 26025 1 39 . GLN . 26025 1 40 . LEU . 26025 1 41 . ILE . 26025 1 42 . CYS . 26025 1 43 . GLY . 26025 1 44 . ALA . 26025 1 45 . PHE . 26025 1 46 . PRO . 26025 1 47 . GLY . 26025 1 48 . LEU . 26025 1 49 . SER . 26025 1 50 . TRP . 26025 1 51 . GLU . 26025 1 52 . GLN . 26025 1 53 . LEU . 26025 1 54 . GLN . 26025 1 55 . GLU . 26025 1 56 . LYS . 26025 1 57 . LYS . 26025 1 58 . LYS . 26025 1 59 . GLY . 26025 1 60 . ARG . 26025 1 61 . ALA . 26025 1 62 . ALA . 26025 1 63 . ALA . 26025 1 64 . ASN . 26025 1 65 . GLY . 26025 1 66 . TYR . 26025 1 67 . ASP . 26025 1 68 . ARG . 26025 1 69 . SER . 26025 1 70 . ALA . 26025 1 71 . PHE . 26025 1 72 . PHE . 26025 1 73 . SER . 26025 1 74 . LEU . 26025 1 75 . VAL . 26025 1 76 . ALA . 26025 1 77 . SER . 26025 1 78 . ASP . 26025 1 79 . GLU . 26025 1 80 . GLN . 26025 1 81 . TYR . 26025 1 82 . VAL . 26025 1 83 . ARG . 26025 1 84 . PHE . 26025 1 85 . ILE . 26025 1 86 . ALA . 26025 1 87 . GLN . 26025 1 88 . HIS . 26025 1 89 . PHE . 26025 1 90 . PRO . 26025 1 91 . CYS . 26025 1 92 . ALA . 26025 1 93 . PRO . 26025 1 94 . GLU . 26025 1 95 . GLU . 26025 1 96 . GLU . 26025 1 97 . LYS . 26025 1 98 . PRO . 26025 1 99 . PRO . 26025 1 100 . GLU . 26025 1 101 . ILE . 26025 1 102 . ASP . 26025 1 103 . ALA . 26025 1 104 . LEU . 26025 1 105 . GLU . 26025 1 106 . LEU . 26025 1 107 . LYS . 26025 1 108 . THR . 26025 1 109 . GLN . 26025 1 110 . LYS . 26025 1 111 . GLY . 26025 1 112 . PHE . 26025 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26025 1 . SER 2 2 26025 1 . ALA 3 3 26025 1 . MET 4 4 26025 1 . GLY 5 5 26025 1 . HIS 6 6 26025 1 . MET 7 7 26025 1 . VAL 8 8 26025 1 . LYS 9 9 26025 1 . ILE 10 10 26025 1 . SER 11 11 26025 1 . HIS 12 12 26025 1 . GLU 13 13 26025 1 . ASP 14 14 26025 1 . THR 15 15 26025 1 . GLN 16 16 26025 1 . ARG 17 17 26025 1 . ILE 18 18 26025 1 . LYS 19 19 26025 1 . THR 20 20 26025 1 . ALA 21 21 26025 1 . PHE 22 22 26025 1 . LEU 23 23 26025 1 . SER 24 24 26025 1 . TYR 25 25 26025 1 . ALA 26 26 26025 1 . GLN 27 27 26025 1 . GLY 28 28 26025 1 . GLN 29 29 26025 1 . ASP 30 30 26025 1 . LYS 31 31 26025 1 . VAL 32 32 26025 1 . THR 33 33 26025 1 . GLU 34 34 26025 1 . ALA 35 35 26025 1 . MET 36 36 26025 1 . ILE 37 37 26025 1 . ASP 38 38 26025 1 . GLN 39 39 26025 1 . LEU 40 40 26025 1 . ILE 41 41 26025 1 . CYS 42 42 26025 1 . GLY 43 43 26025 1 . ALA 44 44 26025 1 . PHE 45 45 26025 1 . PRO 46 46 26025 1 . GLY 47 47 26025 1 . LEU 48 48 26025 1 . SER 49 49 26025 1 . TRP 50 50 26025 1 . GLU 51 51 26025 1 . GLN 52 52 26025 1 . LEU 53 53 26025 1 . GLN 54 54 26025 1 . GLU 55 55 26025 1 . LYS 56 56 26025 1 . LYS 57 57 26025 1 . LYS 58 58 26025 1 . GLY 59 59 26025 1 . ARG 60 60 26025 1 . ALA 61 61 26025 1 . ALA 62 62 26025 1 . ALA 63 63 26025 1 . ASN 64 64 26025 1 . GLY 65 65 26025 1 . TYR 66 66 26025 1 . ASP 67 67 26025 1 . ARG 68 68 26025 1 . SER 69 69 26025 1 . ALA 70 70 26025 1 . PHE 71 71 26025 1 . PHE 72 72 26025 1 . SER 73 73 26025 1 . LEU 74 74 26025 1 . VAL 75 75 26025 1 . ALA 76 76 26025 1 . SER 77 77 26025 1 . ASP 78 78 26025 1 . GLU 79 79 26025 1 . GLN 80 80 26025 1 . TYR 81 81 26025 1 . VAL 82 82 26025 1 . ARG 83 83 26025 1 . PHE 84 84 26025 1 . ILE 85 85 26025 1 . ALA 86 86 26025 1 . GLN 87 87 26025 1 . HIS 88 88 26025 1 . PHE 89 89 26025 1 . PRO 90 90 26025 1 . CYS 91 91 26025 1 . ALA 92 92 26025 1 . PRO 93 93 26025 1 . GLU 94 94 26025 1 . GLU 95 95 26025 1 . GLU 96 96 26025 1 . LYS 97 97 26025 1 . PRO 98 98 26025 1 . PRO 99 99 26025 1 . GLU 100 100 26025 1 . ILE 101 101 26025 1 . ASP 102 102 26025 1 . ALA 103 103 26025 1 . LEU 104 104 26025 1 . GLU 105 105 26025 1 . LEU 106 106 26025 1 . LYS 107 107 26025 1 . THR 108 108 26025 1 . GLN 109 109 26025 1 . LYS 110 110 26025 1 . GLY 111 111 26025 1 . PHE 112 112 26025 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 26025 _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 $Q4DY78 . 5693 organism . 'Trypanosoma cruzi' 'Trypanosoma cruzi' . . Eukaryota . Trypanosoma cruzi . . . . . . . . . . . Tc00.1047053511907.89 . 26025 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 26025 _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 $Q4DY78 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)Star . . . . . pGEX-4T2 . . 'Thrombin cleavage site' 26025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26025 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabeled, 0.4 mM, PBS buffer, pH 7.4, added 10 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Q4DY78 'natural abundance' . . 1 $Q4DY78 . . 0.4 . . mM . . . . 26025 1 2 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 26025 1 3 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 26025 1 4 NaCl 'natural abundance' . . . . . . 140 . . mM . . . . 26025 1 5 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 26025 1 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26025 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26025 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled in PBS buffer, pH 7.4, added 10 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Q4DY78 [U-15N] . . 1 $Q4DY78 . . 0.3 . . mM . . . . 26025 2 2 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 26025 2 3 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 26025 2 4 NaCl 'natural abundance' . . . . . . 140 . . mM . . . . 26025 2 5 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 26025 2 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26025 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26025 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N double-labeled, 0.8 mM, in PBS buffer, pH 7.4, added 10 mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Q4DY78 '[U-100% 13C; U-100% 15N]' . . 1 $Q4DY78 . . 0.8 . . mM . . . . 26025 3 2 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 26025 3 3 KH2PO4 'natural abundance' . . . . . . 1.8 . . mM . . . . 26025 3 4 NaCl 'natural abundance' . . . . . . 140 . . mM . . . . 26025 3 5 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 26025 3 6 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 26025 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_1_conditions _Sample_condition_list.Entry_ID 26025 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26025 1 pressure 1 . atm 26025 1 temperature 298 . K 26025 1 stop_ save_ save_sample_2_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_2_conditions _Sample_condition_list.Entry_ID 26025 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26025 2 pressure 1 . atm 26025 2 temperature 298 . K 26025 2 stop_ save_ save_sample_3_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_3_conditions _Sample_condition_list.Entry_ID 26025 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26025 3 pressure 1 . atm 26025 3 temperature 298 . K 26025 3 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26025 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26025 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26025 1 'data analysis' 26025 1 'peak picking' 26025 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26025 _Software.ID 2 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu, Bax' . . 26025 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'secondary structure prediction' 26025 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26025 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26025 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition' 26025 3 'data processing' 26025 3 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26025 _Software.ID 4 _Software.Name AVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Moseley and Montelione' . . 26025 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift validation' 26025 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26025 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI 5 mm triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26025 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI 5 mm triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26025 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 'TXI 5 mm triple resonance cryoprobe' . . 26025 1 2 spectrometer_2 Bruker 'Avance III' . 800 'TXI 5 mm triple resonance probe' . . 26025 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 26025 _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 . . 2 $sample_2_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26025 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_1_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26025 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26025 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_2_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_2_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 9 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 11 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26025 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26025 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_3_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26025 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details Fhsqcwtgf3scu save_ save_2D_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-13C_HSQC _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details noesyhsqcetgp3d save_ save_2D_1H-1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-1H_TOCSY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details mlevgpph19 save_ save_2D_1H-1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-1H_NOESY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details Fnoesywtg save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details cbcaconhgp3d save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details hncacbgp3d save_ save_3D_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NH _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details hbhaconhgp3d save_ save_3D_1H-15N_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H-15N_TOCSY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details Fdiphsqcwtgf3 save_ save_3D_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-COSY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details Fhcchcosy save_ save_3D_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH-TOCSY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details pFhcchflopsy save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details b_hncogp3d save_ save_3D_1H-15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H-15N_NOESY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details MFnoehsqcwtgf3 save_ save_3D_1H-13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_1H-13C_NOESY _NMR_spec_expt.Entry_ID 26025 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details MFnoehsqcwtgf2 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 26025 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26025 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26025 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26025 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_1_conditions _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' . . . 26025 1 2 '2D 1H-13C HSQC' . . . 26025 1 3 '2D 1H-1H TOCSY' . . . 26025 1 4 '2D 1H-1H NOESY' . . . 26025 1 5 '3D CBCA(CO)NH' . . . 26025 1 6 '3D HNCACB' . . . 26025 1 7 '3D HBHA(CO)NH' . . . 26025 1 8 '3D 1H-15N TOCSY' . . . 26025 1 9 '3D HCCH-COSY' . . . 26025 1 10 '3D HCCH-TOCSY' . . . 26025 1 11 '3D HNCO' . . . 26025 1 12 '3D 1H-15N NOESY' . . . 26025 1 13 '3D 1H-13C NOESY' . . . 26025 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 $SPARKY . . 26025 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 MET HA H 1 4.555 0.005 . 1 . . . . 7 MET HA . 26025 1 2 . 1 1 7 7 MET HB2 H 1 2.030 0.027 . 2 . . . . 7 MET HB2 . 26025 1 3 . 1 1 7 7 MET HB3 H 1 1.998 0.008 . 2 . . . . 7 MET HB3 . 26025 1 4 . 1 1 7 7 MET HG2 H 1 2.552 0.008 . 2 . . . . 7 MET HG2 . 26025 1 5 . 1 1 7 7 MET HG3 H 1 2.477 0.006 . 2 . . . . 7 MET HG3 . 26025 1 6 . 1 1 7 7 MET C C 13 176.326 0.5 . 1 . . . . 7 MET C . 26025 1 7 . 1 1 7 7 MET CA C 13 55.858 0.058 . 1 . . . . 7 MET CA . 26025 1 8 . 1 1 7 7 MET CB C 13 34.154 0.064 . 1 . . . . 7 MET CB . 26025 1 9 . 1 1 7 7 MET CG C 13 32.597 0.117 . 1 . . . . 7 MET CG . 26025 1 10 . 1 1 8 8 VAL H H 1 8.375 0.008 . 1 . . . . 8 VAL H . 26025 1 11 . 1 1 8 8 VAL HA H 1 4.085 0.016 . 1 . . . . 8 VAL HA . 26025 1 12 . 1 1 8 8 VAL HB H 1 2.110 0.007 . 1 . . . . 8 VAL HB . 26025 1 13 . 1 1 8 8 VAL HG11 H 1 0.902 0.007 . 2 . . . . 8 VAL HG11 . 26025 1 14 . 1 1 8 8 VAL HG12 H 1 0.902 0.007 . 2 . . . . 8 VAL HG12 . 26025 1 15 . 1 1 8 8 VAL HG13 H 1 0.902 0.007 . 2 . . . . 8 VAL HG13 . 26025 1 16 . 1 1 8 8 VAL HG21 H 1 0.903 0.007 . 2 . . . . 8 VAL HG21 . 26025 1 17 . 1 1 8 8 VAL HG22 H 1 0.903 0.007 . 2 . . . . 8 VAL HG22 . 26025 1 18 . 1 1 8 8 VAL HG23 H 1 0.903 0.007 . 2 . . . . 8 VAL HG23 . 26025 1 19 . 1 1 8 8 VAL C C 13 175.817 0.5 . 1 . . . . 8 VAL C . 26025 1 20 . 1 1 8 8 VAL CA C 13 62.478 0.114 . 1 . . . . 8 VAL CA . 26025 1 21 . 1 1 8 8 VAL CB C 13 33.362 0.116 . 1 . . . . 8 VAL CB . 26025 1 22 . 1 1 8 8 VAL CG1 C 13 21.788 0.082 . 2 . . . . 8 VAL CG1 . 26025 1 23 . 1 1 8 8 VAL CG2 C 13 21.792 0.087 . 2 . . . . 8 VAL CG2 . 26025 1 24 . 1 1 8 8 VAL N N 15 122.004 0.122 . 1 . . . . 8 VAL N . 26025 1 25 . 1 1 9 9 LYS H H 1 8.468 0.009 . 1 . . . . 9 LYS H . 26025 1 26 . 1 1 9 9 LYS HA H 1 4.349 0.021 . 1 . . . . 9 LYS HA . 26025 1 27 . 1 1 9 9 LYS HB2 H 1 1.804 0.032 . 1 . . . . 9 LYS HB2 . 26025 1 28 . 1 1 9 9 LYS HB3 H 1 1.804 0.031 . 1 . . . . 9 LYS HB3 . 26025 1 29 . 1 1 9 9 LYS HG2 H 1 1.468 0.012 . 2 . . . . 9 LYS HG2 . 26025 1 30 . 1 1 9 9 LYS HG3 H 1 1.469 0.011 . 2 . . . . 9 LYS HG3 . 26025 1 31 . 1 1 9 9 LYS HD2 H 1 1.697 0.006 . 2 . . . . 9 LYS HD2 . 26025 1 32 . 1 1 9 9 LYS HD3 H 1 1.698 0.006 . 2 . . . . 9 LYS HD3 . 26025 1 33 . 1 1 9 9 LYS HE2 H 1 3.005 0.016 . 2 . . . . 9 LYS HE2 . 26025 1 34 . 1 1 9 9 LYS HE3 H 1 3.010 0.011 . 2 . . . . 9 LYS HE3 . 26025 1 35 . 1 1 9 9 LYS C C 13 176.220 0.5 . 1 . . . . 9 LYS C . 26025 1 36 . 1 1 9 9 LYS CA C 13 56.265 0.006 . 1 . . . . 9 LYS CA . 26025 1 37 . 1 1 9 9 LYS CB C 13 33.154 0.077 . 1 . . . . 9 LYS CB . 26025 1 38 . 1 1 9 9 LYS CG C 13 25.276 0.081 . 1 . . . . 9 LYS CG . 26025 1 39 . 1 1 9 9 LYS CD C 13 29.883 0.071 . 1 . . . . 9 LYS CD . 26025 1 40 . 1 1 9 9 LYS CE C 13 42.921 0.066 . 1 . . . . 9 LYS CE . 26025 1 41 . 1 1 9 9 LYS N N 15 125.985 0.031 . 1 . . . . 9 LYS N . 26025 1 42 . 1 1 10 10 ILE H H 1 8.222 0.003 . 1 . . . . 10 ILE H . 26025 1 43 . 1 1 10 10 ILE HA H 1 4.524 0.010 . 1 . . . . 10 ILE HA . 26025 1 44 . 1 1 10 10 ILE HB H 1 1.937 0.012 . 1 . . . . 10 ILE HB . 26025 1 45 . 1 1 10 10 ILE HG12 H 1 1.568 0.006 . 2 . . . . 10 ILE HG12 . 26025 1 46 . 1 1 10 10 ILE HG13 H 1 1.218 0.011 . 2 . . . . 10 ILE HG13 . 26025 1 47 . 1 1 10 10 ILE HG21 H 1 1.016 0.010 . 1 . . . . 10 ILE HG21 . 26025 1 48 . 1 1 10 10 ILE HG22 H 1 1.016 0.010 . 1 . . . . 10 ILE HG22 . 26025 1 49 . 1 1 10 10 ILE HG23 H 1 1.016 0.010 . 1 . . . . 10 ILE HG23 . 26025 1 50 . 1 1 10 10 ILE HD11 H 1 0.767 0.006 . 1 . . . . 10 ILE HD11 . 26025 1 51 . 1 1 10 10 ILE HD12 H 1 0.767 0.006 . 1 . . . . 10 ILE HD12 . 26025 1 52 . 1 1 10 10 ILE HD13 H 1 0.767 0.006 . 1 . . . . 10 ILE HD13 . 26025 1 53 . 1 1 10 10 ILE C C 13 176.750 0.5 . 1 . . . . 10 ILE C . 26025 1 54 . 1 1 10 10 ILE CA C 13 60.593 0.003 . 1 . . . . 10 ILE CA . 26025 1 55 . 1 1 10 10 ILE CB C 13 39.925 0.066 . 1 . . . . 10 ILE CB . 26025 1 56 . 1 1 10 10 ILE CG1 C 13 27.720 0.093 . 1 . . . . 10 ILE CG1 . 26025 1 57 . 1 1 10 10 ILE CG2 C 13 19.105 0.054 . 1 . . . . 10 ILE CG2 . 26025 1 58 . 1 1 10 10 ILE CD1 C 13 13.420 0.074 . 1 . . . . 10 ILE CD1 . 26025 1 59 . 1 1 10 10 ILE N N 15 125.316 0.059 . 1 . . . . 10 ILE N . 26025 1 60 . 1 1 11 11 SER H H 1 9.805 0.003 . 1 . . . . 11 SER H . 26025 1 61 . 1 1 11 11 SER HA H 1 4.642 0.005 . 1 . . . . 11 SER HA . 26025 1 62 . 1 1 11 11 SER HB2 H 1 4.498 0.008 . 2 . . . . 11 SER HB2 . 26025 1 63 . 1 1 11 11 SER HB3 H 1 4.107 0.012 . 2 . . . . 11 SER HB3 . 26025 1 64 . 1 1 11 11 SER C C 13 179.303 0.5 . 1 . . . . 11 SER C . 26025 1 65 . 1 1 11 11 SER CA C 13 58.100 0.081 . 1 . . . . 11 SER CA . 26025 1 66 . 1 1 11 11 SER CB C 13 66.383 0.099 . 1 . . . . 11 SER CB . 26025 1 67 . 1 1 11 11 SER N N 15 125.092 0.024 . 1 . . . . 11 SER N . 26025 1 68 . 1 1 12 12 HIS H H 1 7.943 0.04 . 1 . . . . 12 HIS H . 26025 1 69 . 1 1 12 12 HIS HA H 1 4.435 0.007 . 1 . . . . 12 HIS HA . 26025 1 70 . 1 1 12 12 HIS HB2 H 1 3.307 0.002 . 2 . . . . 12 HIS HB2 . 26025 1 71 . 1 1 12 12 HIS HB3 H 1 3.167 0.006 . 2 . . . . 12 HIS HB3 . 26025 1 72 . 1 1 12 12 HIS HD2 H 1 7.033 0.04 . 1 . . . . 12 HIS HD2 . 26025 1 73 . 1 1 12 12 HIS C C 13 178.556 0.5 . 1 . . . . 12 HIS C . 26025 1 74 . 1 1 12 12 HIS CA C 13 61.010 0.045 . 1 . . . . 12 HIS CA . 26025 1 75 . 1 1 12 12 HIS CB C 13 30.797 0.100 . 1 . . . . 12 HIS CB . 26025 1 76 . 1 1 12 12 HIS CD2 C 13 120.388 0.5 . 1 . . . . 12 HIS CD2 . 26025 1 77 . 1 1 12 12 HIS N N 15 120.660 0.5 . 1 . . . . 12 HIS N . 26025 1 78 . 1 1 13 13 GLU H H 1 8.824 0.004 . 1 . . . . 13 GLU H . 26025 1 79 . 1 1 13 13 GLU HA H 1 3.980 0.011 . 1 . . . . 13 GLU HA . 26025 1 80 . 1 1 13 13 GLU HB2 H 1 2.087 0.011 . 2 . . . . 13 GLU HB2 . 26025 1 81 . 1 1 13 13 GLU HB3 H 1 1.913 0.017 . 2 . . . . 13 GLU HB3 . 26025 1 82 . 1 1 13 13 GLU HG2 H 1 2.370 0.007 . 2 . . . . 13 GLU HG2 . 26025 1 83 . 1 1 13 13 GLU HG3 H 1 2.370 0.007 . 2 . . . . 13 GLU HG3 . 26025 1 84 . 1 1 13 13 GLU C C 13 179.453 0.5 . 1 . . . . 13 GLU C . 26025 1 85 . 1 1 13 13 GLU CA C 13 60.887 0.255 . 1 . . . . 13 GLU CA . 26025 1 86 . 1 1 13 13 GLU CB C 13 29.886 0.139 . 1 . . . . 13 GLU CB . 26025 1 87 . 1 1 13 13 GLU CG C 13 38.052 0.076 . 1 . . . . 13 GLU CG . 26025 1 88 . 1 1 13 13 GLU N N 15 119.608 0.098 . 1 . . . . 13 GLU N . 26025 1 89 . 1 1 14 14 ASP H H 1 8.074 0.003 . 1 . . . . 14 ASP H . 26025 1 90 . 1 1 14 14 ASP HA H 1 4.407 0.009 . 1 . . . . 14 ASP HA . 26025 1 91 . 1 1 14 14 ASP HB2 H 1 3.073 0.010 . 2 . . . . 14 ASP HB2 . 26025 1 92 . 1 1 14 14 ASP HB3 H 1 2.415 0.006 . 2 . . . . 14 ASP HB3 . 26025 1 93 . 1 1 14 14 ASP C C 13 179.091 0.5 . 1 . . . . 14 ASP C . 26025 1 94 . 1 1 14 14 ASP CA C 13 58.812 0.064 . 1 . . . . 14 ASP CA . 26025 1 95 . 1 1 14 14 ASP CB C 13 41.190 0.088 . 1 . . . . 14 ASP CB . 26025 1 96 . 1 1 14 14 ASP N N 15 119.286 0.102 . 1 . . . . 14 ASP N . 26025 1 97 . 1 1 15 15 THR H H 1 8.499 0.004 . 1 . . . . 15 THR H . 26025 1 98 . 1 1 15 15 THR HA H 1 3.890 0.004 . 1 . . . . 15 THR HA . 26025 1 99 . 1 1 15 15 THR HB H 1 4.528 0.010 . 1 . . . . 15 THR HB . 26025 1 100 . 1 1 15 15 THR HG21 H 1 1.314 0.009 . 1 . . . . 15 THR HG21 . 26025 1 101 . 1 1 15 15 THR HG22 H 1 1.314 0.009 . 1 . . . . 15 THR HG22 . 26025 1 102 . 1 1 15 15 THR HG23 H 1 1.314 0.009 . 1 . . . . 15 THR HG23 . 26025 1 103 . 1 1 15 15 THR C C 13 176.929 0.5 . 1 . . . . 15 THR C . 26025 1 104 . 1 1 15 15 THR CA C 13 68.641 0.088 . 1 . . . . 15 THR CA . 26025 1 105 . 1 1 15 15 THR CB C 13 68.816 0.124 . 1 . . . . 15 THR CB . 26025 1 106 . 1 1 15 15 THR CG2 C 13 22.546 0.027 . 1 . . . . 15 THR CG2 . 26025 1 107 . 1 1 15 15 THR N N 15 116.714 0.079 . 1 . . . . 15 THR N . 26025 1 108 . 1 1 16 16 GLN H H 1 7.729 0.008 . 1 . . . . 16 GLN H . 26025 1 109 . 1 1 16 16 GLN HA H 1 4.106 0.006 . 1 . . . . 16 GLN HA . 26025 1 110 . 1 1 16 16 GLN HB2 H 1 2.379 0.006 . 2 . . . . 16 GLN HB2 . 26025 1 111 . 1 1 16 16 GLN HB3 H 1 2.379 0.006 . 2 . . . . 16 GLN HB3 . 26025 1 112 . 1 1 16 16 GLN HG2 H 1 2.250 0.015 . 2 . . . . 16 GLN HG2 . 26025 1 113 . 1 1 16 16 GLN HG3 H 1 2.255 0.019 . 2 . . . . 16 GLN HG3 . 26025 1 114 . 1 1 16 16 GLN HE21 H 1 7.556 0.001 . 1 . . . . 16 GLN HE21 . 26025 1 115 . 1 1 16 16 GLN HE22 H 1 6.813 0.021 . 1 . . . . 16 GLN HE22 . 26025 1 116 . 1 1 16 16 GLN C C 13 180.044 0.5 . 1 . . . . 16 GLN C . 26025 1 117 . 1 1 16 16 GLN CA C 13 59.028 0.242 . 1 . . . . 16 GLN CA . 26025 1 118 . 1 1 16 16 GLN CB C 13 28.968 0.086 . 1 . . . . 16 GLN CB . 26025 1 119 . 1 1 16 16 GLN CG C 13 34.426 0.111 . 1 . . . . 16 GLN CG . 26025 1 120 . 1 1 16 16 GLN CD C 13 180.676 0.5 . 1 . . . . 16 GLN CD . 26025 1 121 . 1 1 16 16 GLN N N 15 119.349 0.090 . 1 . . . . 16 GLN N . 26025 1 122 . 1 1 16 16 GLN NE2 N 15 111.852 0.174 . 1 . . . . 16 GLN NE2 . 26025 1 123 . 1 1 17 17 ARG H H 1 8.055 0.004 . 1 . . . . 17 ARG H . 26025 1 124 . 1 1 17 17 ARG HA H 1 4.298 0.007 . 1 . . . . 17 ARG HA . 26025 1 125 . 1 1 17 17 ARG HB2 H 1 2.091 0.013 . 2 . . . . 17 ARG HB2 . 26025 1 126 . 1 1 17 17 ARG HB3 H 1 2.093 0.012 . 2 . . . . 17 ARG HB3 . 26025 1 127 . 1 1 17 17 ARG HD2 H 1 3.687 0.007 . 2 . . . . 17 ARG HD2 . 26025 1 128 . 1 1 17 17 ARG HD3 H 1 3.239 0.005 . 2 . . . . 17 ARG HD3 . 26025 1 129 . 1 1 17 17 ARG C C 13 178.824 0.5 . 1 . . . . 17 ARG C . 26025 1 130 . 1 1 17 17 ARG CA C 13 60.643 0.133 . 1 . . . . 17 ARG CA . 26025 1 131 . 1 1 17 17 ARG CB C 13 31.365 0.069 . 1 . . . . 17 ARG CB . 26025 1 132 . 1 1 17 17 ARG CD C 13 45.368 0.065 . 1 . . . . 17 ARG CD . 26025 1 133 . 1 1 17 17 ARG N N 15 121.923 0.061 . 1 . . . . 17 ARG N . 26025 1 134 . 1 1 18 18 ILE H H 1 8.794 0.003 . 1 . . . . 18 ILE H . 26025 1 135 . 1 1 18 18 ILE HA H 1 3.638 0.003 . 1 . . . . 18 ILE HA . 26025 1 136 . 1 1 18 18 ILE HB H 1 1.898 0.007 . 1 . . . . 18 ILE HB . 26025 1 137 . 1 1 18 18 ILE HG12 H 1 2.182 0.007 . 2 . . . . 18 ILE HG12 . 26025 1 138 . 1 1 18 18 ILE HG13 H 1 0.793 0.010 . 2 . . . . 18 ILE HG13 . 26025 1 139 . 1 1 18 18 ILE HG21 H 1 0.675 0.010 . 1 . . . . 18 ILE HG21 . 26025 1 140 . 1 1 18 18 ILE HG22 H 1 0.675 0.010 . 1 . . . . 18 ILE HG22 . 26025 1 141 . 1 1 18 18 ILE HG23 H 1 0.675 0.010 . 1 . . . . 18 ILE HG23 . 26025 1 142 . 1 1 18 18 ILE HD11 H 1 0.711 0.010 . 1 . . . . 18 ILE HD11 . 26025 1 143 . 1 1 18 18 ILE HD12 H 1 0.711 0.010 . 1 . . . . 18 ILE HD12 . 26025 1 144 . 1 1 18 18 ILE HD13 H 1 0.711 0.010 . 1 . . . . 18 ILE HD13 . 26025 1 145 . 1 1 18 18 ILE C C 13 178.353 0.5 . 1 . . . . 18 ILE C . 26025 1 146 . 1 1 18 18 ILE CA C 13 66.939 0.083 . 1 . . . . 18 ILE CA . 26025 1 147 . 1 1 18 18 ILE CB C 13 38.556 0.135 . 1 . . . . 18 ILE CB . 26025 1 148 . 1 1 18 18 ILE CG1 C 13 30.791 0.060 . 1 . . . . 18 ILE CG1 . 26025 1 149 . 1 1 18 18 ILE CG2 C 13 18.731 0.108 . 1 . . . . 18 ILE CG2 . 26025 1 150 . 1 1 18 18 ILE CD1 C 13 15.518 0.018 . 1 . . . . 18 ILE CD1 . 26025 1 151 . 1 1 18 18 ILE N N 15 120.737 0.043 . 1 . . . . 18 ILE N . 26025 1 152 . 1 1 19 19 LYS H H 1 7.966 0.005 . 1 . . . . 19 LYS H . 26025 1 153 . 1 1 19 19 LYS HA H 1 4.073 0.015 . 1 . . . . 19 LYS HA . 26025 1 154 . 1 1 19 19 LYS HB2 H 1 2.077 0.013 . 2 . . . . 19 LYS HB2 . 26025 1 155 . 1 1 19 19 LYS HB3 H 1 2.078 0.012 . 2 . . . . 19 LYS HB3 . 26025 1 156 . 1 1 19 19 LYS HG2 H 1 1.460 0.021 . 2 . . . . 19 LYS HG2 . 26025 1 157 . 1 1 19 19 LYS HG3 H 1 1.463 0.016 . 2 . . . . 19 LYS HG3 . 26025 1 158 . 1 1 19 19 LYS HD2 H 1 1.696 0.007 . 1 . . . . 19 LYS HD2 . 26025 1 159 . 1 1 19 19 LYS HD3 H 1 1.696 0.007 . 1 . . . . 19 LYS HD3 . 26025 1 160 . 1 1 19 19 LYS HE2 H 1 2.933 0.020 . 2 . . . . 19 LYS HE2 . 26025 1 161 . 1 1 19 19 LYS HE3 H 1 2.938 0.022 . 2 . . . . 19 LYS HE3 . 26025 1 162 . 1 1 19 19 LYS C C 13 179.331 0.5 . 1 . . . . 19 LYS C . 26025 1 163 . 1 1 19 19 LYS CA C 13 61.186 0.074 . 1 . . . . 19 LYS CA . 26025 1 164 . 1 1 19 19 LYS CB C 13 32.955 0.105 . 1 . . . . 19 LYS CB . 26025 1 165 . 1 1 19 19 LYS CG C 13 25.282 0.073 . 1 . . . . 19 LYS CG . 26025 1 166 . 1 1 19 19 LYS CD C 13 29.907 0.082 . 1 . . . . 19 LYS CD . 26025 1 167 . 1 1 19 19 LYS CE C 13 42.857 0.103 . 1 . . . . 19 LYS CE . 26025 1 168 . 1 1 19 19 LYS N N 15 120.166 0.111 . 1 . . . . 19 LYS N . 26025 1 169 . 1 1 20 20 THR H H 1 7.762 0.005 . 1 . . . . 20 THR H . 26025 1 170 . 1 1 20 20 THR HA H 1 3.859 0.009 . 1 . . . . 20 THR HA . 26025 1 171 . 1 1 20 20 THR HB H 1 4.542 0.008 . 1 . . . . 20 THR HB . 26025 1 172 . 1 1 20 20 THR HG21 H 1 1.386 0.005 . 1 . . . . 20 THR HG21 . 26025 1 173 . 1 1 20 20 THR HG22 H 1 1.386 0.005 . 1 . . . . 20 THR HG22 . 26025 1 174 . 1 1 20 20 THR HG23 H 1 1.386 0.005 . 1 . . . . 20 THR HG23 . 26025 1 175 . 1 1 20 20 THR C C 13 177.107 0.5 . 1 . . . . 20 THR C . 26025 1 176 . 1 1 20 20 THR CA C 13 67.165 0.042 . 1 . . . . 20 THR CA . 26025 1 177 . 1 1 20 20 THR CB C 13 69.113 0.077 . 1 . . . . 20 THR CB . 26025 1 178 . 1 1 20 20 THR CG2 C 13 23.639 0.053 . 1 . . . . 20 THR CG2 . 26025 1 179 . 1 1 20 20 THR N N 15 117.282 0.043 . 1 . . . . 20 THR N . 26025 1 180 . 1 1 21 21 ALA H H 1 8.566 0.003 . 1 . . . . 21 ALA H . 26025 1 181 . 1 1 21 21 ALA HA H 1 2.827 0.005 . 1 . . . . 21 ALA HA . 26025 1 182 . 1 1 21 21 ALA HB1 H 1 1.092 0.003 . 1 . . . . 21 ALA HB1 . 26025 1 183 . 1 1 21 21 ALA HB2 H 1 1.092 0.003 . 1 . . . . 21 ALA HB2 . 26025 1 184 . 1 1 21 21 ALA HB3 H 1 1.092 0.003 . 1 . . . . 21 ALA HB3 . 26025 1 185 . 1 1 21 21 ALA C C 13 178.428 0.5 . 1 . . . . 21 ALA C . 26025 1 186 . 1 1 21 21 ALA CA C 13 55.814 0.047 . 1 . . . . 21 ALA CA . 26025 1 187 . 1 1 21 21 ALA CB C 13 18.818 0.086 . 1 . . . . 21 ALA CB . 26025 1 188 . 1 1 21 21 ALA N N 15 125.740 0.055 . 1 . . . . 21 ALA N . 26025 1 189 . 1 1 22 22 PHE H H 1 8.628 0.010 . 1 . . . . 22 PHE H . 26025 1 190 . 1 1 22 22 PHE HA H 1 2.745 0.010 . 1 . . . . 22 PHE HA . 26025 1 191 . 1 1 22 22 PHE HB2 H 1 3.014 0.008 . 2 . . . . 22 PHE HB2 . 26025 1 192 . 1 1 22 22 PHE HB3 H 1 2.780 0.013 . 2 . . . . 22 PHE HB3 . 26025 1 193 . 1 1 22 22 PHE HD1 H 1 6.540 0.020 . 3 . . . . 22 PHE HD1 . 26025 1 194 . 1 1 22 22 PHE HD2 H 1 6.540 0.020 . 3 . . . . 22 PHE HD2 . 26025 1 195 . 1 1 22 22 PHE HE1 H 1 7.128 0.013 . 3 . . . . 22 PHE HE1 . 26025 1 196 . 1 1 22 22 PHE HE2 H 1 7.128 0.013 . 3 . . . . 22 PHE HE2 . 26025 1 197 . 1 1 22 22 PHE HZ H 1 7.153 0.021 . 1 . . . . 22 PHE HZ . 26025 1 198 . 1 1 22 22 PHE C C 13 176.155 0.5 . 1 . . . . 22 PHE C . 26025 1 199 . 1 1 22 22 PHE CA C 13 62.897 0.022 . 1 . . . . 22 PHE CA . 26025 1 200 . 1 1 22 22 PHE CB C 13 38.791 0.109 . 1 . . . . 22 PHE CB . 26025 1 201 . 1 1 22 22 PHE CD1 C 13 131.837 0.105 . 3 . . . . 22 PHE CD1 . 26025 1 202 . 1 1 22 22 PHE CD2 C 13 131.837 0.105 . 3 . . . . 22 PHE CD2 . 26025 1 203 . 1 1 22 22 PHE CE1 C 13 130.251 0.066 . 3 . . . . 22 PHE CE1 . 26025 1 204 . 1 1 22 22 PHE CE2 C 13 130.251 0.066 . 3 . . . . 22 PHE CE2 . 26025 1 205 . 1 1 22 22 PHE CZ C 13 131.002 0.5 . 1 . . . . 22 PHE CZ . 26025 1 206 . 1 1 22 22 PHE N N 15 118.621 0.036 . 1 . . . . 22 PHE N . 26025 1 207 . 1 1 23 23 LEU H H 1 7.544 0.005 . 1 . . . . 23 LEU H . 26025 1 208 . 1 1 23 23 LEU HA H 1 3.736 0.008 . 1 . . . . 23 LEU HA . 26025 1 209 . 1 1 23 23 LEU HB2 H 1 1.956 0.010 . 2 . . . . 23 LEU HB2 . 26025 1 210 . 1 1 23 23 LEU HB3 H 1 1.528 0.012 . 2 . . . . 23 LEU HB3 . 26025 1 211 . 1 1 23 23 LEU HG H 1 1.970 0.010 . 1 . . . . 23 LEU HG . 26025 1 212 . 1 1 23 23 LEU HD11 H 1 0.996 0.006 . 2 . . . . 23 LEU HD11 . 26025 1 213 . 1 1 23 23 LEU HD12 H 1 0.996 0.006 . 2 . . . . 23 LEU HD12 . 26025 1 214 . 1 1 23 23 LEU HD13 H 1 0.996 0.006 . 2 . . . . 23 LEU HD13 . 26025 1 215 . 1 1 23 23 LEU HD21 H 1 0.983 0.009 . 2 . . . . 23 LEU HD21 . 26025 1 216 . 1 1 23 23 LEU HD22 H 1 0.983 0.009 . 2 . . . . 23 LEU HD22 . 26025 1 217 . 1 1 23 23 LEU HD23 H 1 0.983 0.009 . 2 . . . . 23 LEU HD23 . 26025 1 218 . 1 1 23 23 LEU C C 13 180.970 0.5 . 1 . . . . 23 LEU C . 26025 1 219 . 1 1 23 23 LEU CA C 13 58.148 0.026 . 1 . . . . 23 LEU CA . 26025 1 220 . 1 1 23 23 LEU CB C 13 42.456 0.046 . 1 . . . . 23 LEU CB . 26025 1 221 . 1 1 23 23 LEU CG C 13 27.654 0.088 . 1 . . . . 23 LEU CG . 26025 1 222 . 1 1 23 23 LEU CD1 C 13 23.581 0.064 . 2 . . . . 23 LEU CD1 . 26025 1 223 . 1 1 23 23 LEU CD2 C 13 26.356 0.063 . 2 . . . . 23 LEU CD2 . 26025 1 224 . 1 1 23 23 LEU N N 15 115.775 0.068 . 1 . . . . 23 LEU N . 26025 1 225 . 1 1 24 24 SER H H 1 7.847 0.003 . 1 . . . . 24 SER H . 26025 1 226 . 1 1 24 24 SER HA H 1 4.157 0.011 . 1 . . . . 24 SER HA . 26025 1 227 . 1 1 24 24 SER HB2 H 1 3.840 0.016 . 2 . . . . 24 SER HB2 . 26025 1 228 . 1 1 24 24 SER HB3 H 1 3.866 0.025 . 2 . . . . 24 SER HB3 . 26025 1 229 . 1 1 24 24 SER C C 13 178.392 0.5 . 1 . . . . 24 SER C . 26025 1 230 . 1 1 24 24 SER CA C 13 61.982 0.109 . 1 . . . . 24 SER CA . 26025 1 231 . 1 1 24 24 SER CB C 13 63.976 0.069 . 1 . . . . 24 SER CB . 26025 1 232 . 1 1 24 24 SER N N 15 114.543 0.044 . 1 . . . . 24 SER N . 26025 1 233 . 1 1 25 25 TYR H H 1 8.517 0.010 . 1 . . . . 25 TYR H . 26025 1 234 . 1 1 25 25 TYR HA H 1 4.287 0.010 . 1 . . . . 25 TYR HA . 26025 1 235 . 1 1 25 25 TYR HB2 H 1 2.897 0.011 . 2 . . . . 25 TYR HB2 . 26025 1 236 . 1 1 25 25 TYR HB3 H 1 2.456 0.018 . 2 . . . . 25 TYR HB3 . 26025 1 237 . 1 1 25 25 TYR HD1 H 1 7.156 0.012 . 3 . . . . 25 TYR HD1 . 26025 1 238 . 1 1 25 25 TYR HD2 H 1 7.156 0.012 . 3 . . . . 25 TYR HD2 . 26025 1 239 . 1 1 25 25 TYR HE1 H 1 6.788 0.022 . 3 . . . . 25 TYR HE1 . 26025 1 240 . 1 1 25 25 TYR HE2 H 1 6.788 0.022 . 3 . . . . 25 TYR HE2 . 26025 1 241 . 1 1 25 25 TYR C C 13 177.762 0.5 . 1 . . . . 25 TYR C . 26025 1 242 . 1 1 25 25 TYR CA C 13 61.564 0.109 . 1 . . . . 25 TYR CA . 26025 1 243 . 1 1 25 25 TYR CB C 13 38.814 0.091 . 1 . . . . 25 TYR CB . 26025 1 244 . 1 1 25 25 TYR CD1 C 13 132.177 0.163 . 3 . . . . 25 TYR CD1 . 26025 1 245 . 1 1 25 25 TYR CD2 C 13 132.177 0.163 . 3 . . . . 25 TYR CD2 . 26025 1 246 . 1 1 25 25 TYR CE1 C 13 118.576 0.049 . 3 . . . . 25 TYR CE1 . 26025 1 247 . 1 1 25 25 TYR CE2 C 13 118.576 0.049 . 3 . . . . 25 TYR CE2 . 26025 1 248 . 1 1 25 25 TYR N N 15 118.813 0.027 . 1 . . . . 25 TYR N . 26025 1 249 . 1 1 26 26 ALA H H 1 8.434 0.003 . 1 . . . . 26 ALA H . 26025 1 250 . 1 1 26 26 ALA HA H 1 3.864 0.005 . 1 . . . . 26 ALA HA . 26025 1 251 . 1 1 26 26 ALA HB1 H 1 0.654 0.006 . 1 . . . . 26 ALA HB1 . 26025 1 252 . 1 1 26 26 ALA HB2 H 1 0.654 0.006 . 1 . . . . 26 ALA HB2 . 26025 1 253 . 1 1 26 26 ALA HB3 H 1 0.654 0.006 . 1 . . . . 26 ALA HB3 . 26025 1 254 . 1 1 26 26 ALA C C 13 179.578 0.5 . 1 . . . . 26 ALA C . 26025 1 255 . 1 1 26 26 ALA CA C 13 54.473 0.102 . 1 . . . . 26 ALA CA . 26025 1 256 . 1 1 26 26 ALA CB C 13 18.442 0.252 . 1 . . . . 26 ALA CB . 26025 1 257 . 1 1 26 26 ALA N N 15 120.112 0.034 . 1 . . . . 26 ALA N . 26025 1 258 . 1 1 27 27 GLN H H 1 7.511 0.002 . 1 . . . . 27 GLN H . 26025 1 259 . 1 1 27 27 GLN HA H 1 4.034 0.012 . 1 . . . . 27 GLN HA . 26025 1 260 . 1 1 27 27 GLN HB2 H 1 2.219 0.007 . 2 . . . . 27 GLN HB2 . 26025 1 261 . 1 1 27 27 GLN HB3 H 1 2.222 0.009 . 2 . . . . 27 GLN HB3 . 26025 1 262 . 1 1 27 27 GLN HG2 H 1 2.382 0.019 . 2 . . . . 27 GLN HG2 . 26025 1 263 . 1 1 27 27 GLN HG3 H 1 2.387 0.015 . 2 . . . . 27 GLN HG3 . 26025 1 264 . 1 1 27 27 GLN HE21 H 1 7.043 0.011 . 1 . . . . 27 GLN HE21 . 26025 1 265 . 1 1 27 27 GLN HE22 H 1 6.924 0.008 . 1 . . . . 27 GLN HE22 . 26025 1 266 . 1 1 27 27 GLN C C 13 176.684 0.5 . 1 . . . . 27 GLN C . 26025 1 267 . 1 1 27 27 GLN CA C 13 57.341 0.010 . 1 . . . . 27 GLN CA . 26025 1 268 . 1 1 27 27 GLN CB C 13 27.833 0.050 . 1 . . . . 27 GLN CB . 26025 1 269 . 1 1 27 27 GLN CG C 13 37.136 0.078 . 1 . . . . 27 GLN CG . 26025 1 270 . 1 1 27 27 GLN CD C 13 180.116 0.5 . 1 . . . . 27 GLN CD . 26025 1 271 . 1 1 27 27 GLN N N 15 113.475 0.038 . 1 . . . . 27 GLN N . 26025 1 272 . 1 1 27 27 GLN NE2 N 15 111.340 0.102 . 1 . . . . 27 GLN NE2 . 26025 1 273 . 1 1 28 28 GLY H H 1 8.815 0.002 . 1 . . . . 28 GLY H . 26025 1 274 . 1 1 28 28 GLY HA2 H 1 4.233 0.006 . 2 . . . . 28 GLY HA2 . 26025 1 275 . 1 1 28 28 GLY HA3 H 1 3.636 0.008 . 2 . . . . 28 GLY HA3 . 26025 1 276 . 1 1 28 28 GLY C C 13 175.238 0.5 . 1 . . . . 28 GLY C . 26025 1 277 . 1 1 28 28 GLY CA C 13 46.022 0.035 . 1 . . . . 28 GLY CA . 26025 1 278 . 1 1 28 28 GLY N N 15 105.255 0.018 . 1 . . . . 28 GLY N . 26025 1 279 . 1 1 29 29 GLN H H 1 7.478 0.009 . 1 . . . . 29 GLN H . 26025 1 280 . 1 1 29 29 GLN HA H 1 4.653 0.009 . 1 . . . . 29 GLN HA . 26025 1 281 . 1 1 29 29 GLN HB2 H 1 2.541 0.009 . 2 . . . . 29 GLN HB2 . 26025 1 282 . 1 1 29 29 GLN HB3 H 1 2.359 0.009 . 2 . . . . 29 GLN HB3 . 26025 1 283 . 1 1 29 29 GLN HG2 H 1 2.422 0.013 . 2 . . . . 29 GLN HG2 . 26025 1 284 . 1 1 29 29 GLN HG3 H 1 2.421 0.013 . 2 . . . . 29 GLN HG3 . 26025 1 285 . 1 1 29 29 GLN HE21 H 1 7.592 0.001 . 1 . . . . 29 GLN HE21 . 26025 1 286 . 1 1 29 29 GLN HE22 H 1 6.880 0.011 . 1 . . . . 29 GLN HE22 . 26025 1 287 . 1 1 29 29 GLN C C 13 175.319 0.5 . 1 . . . . 29 GLN C . 26025 1 288 . 1 1 29 29 GLN CA C 13 54.709 0.003 . 1 . . . . 29 GLN CA . 26025 1 289 . 1 1 29 29 GLN CB C 13 30.341 0.197 . 1 . . . . 29 GLN CB . 26025 1 290 . 1 1 29 29 GLN CG C 13 34.818 0.131 . 1 . . . . 29 GLN CG . 26025 1 291 . 1 1 29 29 GLN CD C 13 180.951 0.5 . 1 . . . . 29 GLN CD . 26025 1 292 . 1 1 29 29 GLN N N 15 118.184 0.026 . 1 . . . . 29 GLN N . 26025 1 293 . 1 1 29 29 GLN NE2 N 15 113.072 0.131 . 1 . . . . 29 GLN NE2 . 26025 1 294 . 1 1 30 30 ASP H H 1 8.539 0.005 . 1 . . . . 30 ASP H . 26025 1 295 . 1 1 30 30 ASP HA H 1 4.684 0.011 . 1 . . . . 30 ASP HA . 26025 1 296 . 1 1 30 30 ASP HB2 H 1 2.822 0.009 . 2 . . . . 30 ASP HB2 . 26025 1 297 . 1 1 30 30 ASP HB3 H 1 2.821 0.009 . 2 . . . . 30 ASP HB3 . 26025 1 298 . 1 1 30 30 ASP C C 13 175.850 0.5 . 1 . . . . 30 ASP C . 26025 1 299 . 1 1 30 30 ASP CA C 13 55.768 0.095 . 1 . . . . 30 ASP CA . 26025 1 300 . 1 1 30 30 ASP CB C 13 41.768 0.056 . 1 . . . . 30 ASP CB . 26025 1 301 . 1 1 30 30 ASP N N 15 116.339 0.073 . 1 . . . . 30 ASP N . 26025 1 302 . 1 1 31 31 LYS H H 1 7.247 0.006 . 1 . . . . 31 LYS H . 26025 1 303 . 1 1 31 31 LYS HA H 1 4.974 0.010 . 1 . . . . 31 LYS HA . 26025 1 304 . 1 1 31 31 LYS HB2 H 1 1.594 0.007 . 1 . . . . 31 LYS HB2 . 26025 1 305 . 1 1 31 31 LYS HB3 H 1 1.593 0.007 . 1 . . . . 31 LYS HB3 . 26025 1 306 . 1 1 31 31 LYS HG2 H 1 1.394 0.014 . 2 . . . . 31 LYS HG2 . 26025 1 307 . 1 1 31 31 LYS HG3 H 1 1.245 0.005 . 2 . . . . 31 LYS HG3 . 26025 1 308 . 1 1 31 31 LYS HD2 H 1 1.614 0.011 . 2 . . . . 31 LYS HD2 . 26025 1 309 . 1 1 31 31 LYS HD3 H 1 1.610 0.014 . 2 . . . . 31 LYS HD3 . 26025 1 310 . 1 1 31 31 LYS HE2 H 1 2.994 0.008 . 2 . . . . 31 LYS HE2 . 26025 1 311 . 1 1 31 31 LYS HE3 H 1 2.995 0.006 . 2 . . . . 31 LYS HE3 . 26025 1 312 . 1 1 31 31 LYS C C 13 174.993 0.5 . 1 . . . . 31 LYS C . 26025 1 313 . 1 1 31 31 LYS CA C 13 55.217 0.074 . 1 . . . . 31 LYS CA . 26025 1 314 . 1 1 31 31 LYS CB C 13 37.106 0.058 . 1 . . . . 31 LYS CB . 26025 1 315 . 1 1 31 31 LYS CG C 13 25.454 0.071 . 1 . . . . 31 LYS CG . 26025 1 316 . 1 1 31 31 LYS CD C 13 30.035 0.085 . 1 . . . . 31 LYS CD . 26025 1 317 . 1 1 31 31 LYS CE C 13 43.013 0.071 . 1 . . . . 31 LYS CE . 26025 1 318 . 1 1 31 31 LYS N N 15 114.371 0.021 . 1 . . . . 31 LYS N . 26025 1 319 . 1 1 32 32 VAL H H 1 8.943 0.005 . 1 . . . . 32 VAL H . 26025 1 320 . 1 1 32 32 VAL HA H 1 4.067 0.014 . 1 . . . . 32 VAL HA . 26025 1 321 . 1 1 32 32 VAL HB H 1 2.008 0.015 . 1 . . . . 32 VAL HB . 26025 1 322 . 1 1 32 32 VAL HG11 H 1 1.018 0.008 . 2 . . . . 32 VAL HG11 . 26025 1 323 . 1 1 32 32 VAL HG12 H 1 1.018 0.008 . 2 . . . . 32 VAL HG12 . 26025 1 324 . 1 1 32 32 VAL HG13 H 1 1.018 0.008 . 2 . . . . 32 VAL HG13 . 26025 1 325 . 1 1 32 32 VAL HG21 H 1 0.486 0.005 . 2 . . . . 32 VAL HG21 . 26025 1 326 . 1 1 32 32 VAL HG22 H 1 0.486 0.005 . 2 . . . . 32 VAL HG22 . 26025 1 327 . 1 1 32 32 VAL HG23 H 1 0.486 0.005 . 2 . . . . 32 VAL HG23 . 26025 1 328 . 1 1 32 32 VAL C C 13 177.001 0.5 . 1 . . . . 32 VAL C . 26025 1 329 . 1 1 32 32 VAL CA C 13 61.698 0.136 . 1 . . . . 32 VAL CA . 26025 1 330 . 1 1 32 32 VAL CB C 13 33.560 0.087 . 1 . . . . 32 VAL CB . 26025 1 331 . 1 1 32 32 VAL CG1 C 13 24.023 0.091 . 2 . . . . 32 VAL CG1 . 26025 1 332 . 1 1 32 32 VAL CG2 C 13 23.792 0.143 . 2 . . . . 32 VAL CG2 . 26025 1 333 . 1 1 32 32 VAL N N 15 121.575 0.064 . 1 . . . . 32 VAL N . 26025 1 334 . 1 1 33 33 THR H H 1 8.732 0.002 . 1 . . . . 33 THR H . 26025 1 335 . 1 1 33 33 THR HA H 1 4.395 0.007 . 1 . . . . 33 THR HA . 26025 1 336 . 1 1 33 33 THR HB H 1 4.713 0.009 . 1 . . . . 33 THR HB . 26025 1 337 . 1 1 33 33 THR HG21 H 1 1.429 0.006 . 1 . . . . 33 THR HG21 . 26025 1 338 . 1 1 33 33 THR HG22 H 1 1.429 0.006 . 1 . . . . 33 THR HG22 . 26025 1 339 . 1 1 33 33 THR HG23 H 1 1.429 0.006 . 1 . . . . 33 THR HG23 . 26025 1 340 . 1 1 33 33 THR C C 13 176.068 0.5 . 1 . . . . 33 THR C . 26025 1 341 . 1 1 33 33 THR CA C 13 62.348 0.072 . 1 . . . . 33 THR CA . 26025 1 342 . 1 1 33 33 THR CB C 13 71.685 0.180 . 1 . . . . 33 THR CB . 26025 1 343 . 1 1 33 33 THR CG2 C 13 22.828 0.091 . 1 . . . . 33 THR CG2 . 26025 1 344 . 1 1 33 33 THR N N 15 118.247 0.039 . 1 . . . . 33 THR N . 26025 1 345 . 1 1 34 34 GLU H H 1 9.055 0.002 . 1 . . . . 34 GLU H . 26025 1 346 . 1 1 34 34 GLU HA H 1 3.910 0.013 . 1 . . . . 34 GLU HA . 26025 1 347 . 1 1 34 34 GLU HB2 H 1 2.164 0.012 . 2 . . . . 34 GLU HB2 . 26025 1 348 . 1 1 34 34 GLU HB3 H 1 2.170 0.018 . 2 . . . . 34 GLU HB3 . 26025 1 349 . 1 1 34 34 GLU HG2 H 1 2.265 0.008 . 2 . . . . 34 GLU HG2 . 26025 1 350 . 1 1 34 34 GLU HG3 H 1 2.268 0.005 . 2 . . . . 34 GLU HG3 . 26025 1 351 . 1 1 34 34 GLU C C 13 177.882 0.5 . 1 . . . . 34 GLU C . 26025 1 352 . 1 1 34 34 GLU CA C 13 60.404 0.082 . 1 . . . . 34 GLU CA . 26025 1 353 . 1 1 34 34 GLU CB C 13 29.321 0.065 . 1 . . . . 34 GLU CB . 26025 1 354 . 1 1 34 34 GLU CG C 13 36.967 0.101 . 1 . . . . 34 GLU CG . 26025 1 355 . 1 1 34 34 GLU N N 15 122.007 0.045 . 1 . . . . 34 GLU N . 26025 1 356 . 1 1 35 35 ALA H H 1 8.240 0.005 . 1 . . . . 35 ALA H . 26025 1 357 . 1 1 35 35 ALA HA H 1 4.161 0.008 . 1 . . . . 35 ALA HA . 26025 1 358 . 1 1 35 35 ALA HB1 H 1 1.438 0.003 . 1 . . . . 35 ALA HB1 . 26025 1 359 . 1 1 35 35 ALA HB2 H 1 1.438 0.003 . 1 . . . . 35 ALA HB2 . 26025 1 360 . 1 1 35 35 ALA HB3 H 1 1.438 0.003 . 1 . . . . 35 ALA HB3 . 26025 1 361 . 1 1 35 35 ALA C C 13 181.606 0.5 . 1 . . . . 35 ALA C . 26025 1 362 . 1 1 35 35 ALA CA C 13 55.564 0.198 . 1 . . . . 35 ALA CA . 26025 1 363 . 1 1 35 35 ALA CB C 13 18.409 0.030 . 1 . . . . 35 ALA CB . 26025 1 364 . 1 1 35 35 ALA N N 15 117.687 0.097 . 1 . . . . 35 ALA N . 26025 1 365 . 1 1 36 36 MET H H 1 7.503 0.004 . 1 . . . . 36 MET H . 26025 1 366 . 1 1 36 36 MET HA H 1 4.616 0.016 . 1 . . . . 36 MET HA . 26025 1 367 . 1 1 36 36 MET HB2 H 1 2.312 0.012 . 2 . . . . 36 MET HB2 . 26025 1 368 . 1 1 36 36 MET HB3 H 1 1.883 0.012 . 2 . . . . 36 MET HB3 . 26025 1 369 . 1 1 36 36 MET HG2 H 1 3.034 0.008 . 2 . . . . 36 MET HG2 . 26025 1 370 . 1 1 36 36 MET HG3 H 1 2.551 0.016 . 2 . . . . 36 MET HG3 . 26025 1 371 . 1 1 36 36 MET HE1 H 1 2.116 0.04 . 1 . . . . 36 MET HE1 . 26025 1 372 . 1 1 36 36 MET HE2 H 1 2.116 0.04 . 1 . . . . 36 MET HE2 . 26025 1 373 . 1 1 36 36 MET HE3 H 1 2.116 0.04 . 1 . . . . 36 MET HE3 . 26025 1 374 . 1 1 36 36 MET C C 13 179.152 0.5 . 1 . . . . 36 MET C . 26025 1 375 . 1 1 36 36 MET CA C 13 56.809 0.065 . 1 . . . . 36 MET CA . 26025 1 376 . 1 1 36 36 MET CB C 13 32.687 0.062 . 1 . . . . 36 MET CB . 26025 1 377 . 1 1 36 36 MET CG C 13 34.084 0.156 . 1 . . . . 36 MET CG . 26025 1 378 . 1 1 36 36 MET CE C 13 17.825 0.5 . 1 . . . . 36 MET CE . 26025 1 379 . 1 1 36 36 MET N N 15 116.399 0.028 . 1 . . . . 36 MET N . 26025 1 380 . 1 1 37 37 ILE H H 1 8.060 0.007 . 1 . . . . 37 ILE H . 26025 1 381 . 1 1 37 37 ILE HA H 1 3.607 0.008 . 1 . . . . 37 ILE HA . 26025 1 382 . 1 1 37 37 ILE HB H 1 1.760 0.012 . 1 . . . . 37 ILE HB . 26025 1 383 . 1 1 37 37 ILE HG12 H 1 0.793 0.004 . 2 . . . . 37 ILE HG12 . 26025 1 384 . 1 1 37 37 ILE HG13 H 1 0.359 0.011 . 2 . . . . 37 ILE HG13 . 26025 1 385 . 1 1 37 37 ILE HG21 H 1 0.680 0.011 . 1 . . . . 37 ILE HG21 . 26025 1 386 . 1 1 37 37 ILE HG22 H 1 0.680 0.011 . 1 . . . . 37 ILE HG22 . 26025 1 387 . 1 1 37 37 ILE HG23 H 1 0.680 0.011 . 1 . . . . 37 ILE HG23 . 26025 1 388 . 1 1 37 37 ILE HD11 H 1 0.278 0.016 . 1 . . . . 37 ILE HD11 . 26025 1 389 . 1 1 37 37 ILE HD12 H 1 0.278 0.016 . 1 . . . . 37 ILE HD12 . 26025 1 390 . 1 1 37 37 ILE HD13 H 1 0.278 0.016 . 1 . . . . 37 ILE HD13 . 26025 1 391 . 1 1 37 37 ILE C C 13 178.639 0.5 . 1 . . . . 37 ILE C . 26025 1 392 . 1 1 37 37 ILE CA C 13 62.280 0.049 . 1 . . . . 37 ILE CA . 26025 1 393 . 1 1 37 37 ILE CB C 13 36.155 0.162 . 1 . . . . 37 ILE CB . 26025 1 394 . 1 1 37 37 ILE CG1 C 13 28.251 0.113 . 1 . . . . 37 ILE CG1 . 26025 1 395 . 1 1 37 37 ILE CG2 C 13 18.881 0.086 . 1 . . . . 37 ILE CG2 . 26025 1 396 . 1 1 37 37 ILE CD1 C 13 11.763 0.150 . 1 . . . . 37 ILE CD1 . 26025 1 397 . 1 1 37 37 ILE N N 15 123.887 0.073 . 1 . . . . 37 ILE N . 26025 1 398 . 1 1 38 38 ASP H H 1 8.403 0.002 . 1 . . . . 38 ASP H . 26025 1 399 . 1 1 38 38 ASP HA H 1 4.244 0.009 . 1 . . . . 38 ASP HA . 26025 1 400 . 1 1 38 38 ASP HB2 H 1 2.865 0.010 . 2 . . . . 38 ASP HB2 . 26025 1 401 . 1 1 38 38 ASP HB3 H 1 2.490 0.013 . 2 . . . . 38 ASP HB3 . 26025 1 402 . 1 1 38 38 ASP C C 13 179.256 0.5 . 1 . . . . 38 ASP C . 26025 1 403 . 1 1 38 38 ASP CA C 13 58.047 0.083 . 1 . . . . 38 ASP CA . 26025 1 404 . 1 1 38 38 ASP CB C 13 40.082 0.077 . 1 . . . . 38 ASP CB . 26025 1 405 . 1 1 38 38 ASP N N 15 121.261 0.068 . 1 . . . . 38 ASP N . 26025 1 406 . 1 1 39 39 GLN H H 1 7.337 0.004 . 1 . . . . 39 GLN H . 26025 1 407 . 1 1 39 39 GLN HA H 1 3.976 0.014 . 1 . . . . 39 GLN HA . 26025 1 408 . 1 1 39 39 GLN HB2 H 1 2.387 0.009 . 2 . . . . 39 GLN HB2 . 26025 1 409 . 1 1 39 39 GLN HB3 H 1 2.388 0.009 . 2 . . . . 39 GLN HB3 . 26025 1 410 . 1 1 39 39 GLN HG2 H 1 2.683 0.006 . 2 . . . . 39 GLN HG2 . 26025 1 411 . 1 1 39 39 GLN HG3 H 1 2.684 0.005 . 2 . . . . 39 GLN HG3 . 26025 1 412 . 1 1 39 39 GLN HE21 H 1 7.493 0.004 . 1 . . . . 39 GLN HE21 . 26025 1 413 . 1 1 39 39 GLN HE22 H 1 6.900 0.022 . 1 . . . . 39 GLN HE22 . 26025 1 414 . 1 1 39 39 GLN C C 13 179.907 0.5 . 1 . . . . 39 GLN C . 26025 1 415 . 1 1 39 39 GLN CA C 13 59.467 0.124 . 1 . . . . 39 GLN CA . 26025 1 416 . 1 1 39 39 GLN CB C 13 28.382 0.001 . 1 . . . . 39 GLN CB . 26025 1 417 . 1 1 39 39 GLN CG C 13 35.000 0.027 . 1 . . . . 39 GLN CG . 26025 1 418 . 1 1 39 39 GLN CD C 13 180.366 0.5 . 1 . . . . 39 GLN CD . 26025 1 419 . 1 1 39 39 GLN N N 15 118.240 0.014 . 1 . . . . 39 GLN N . 26025 1 420 . 1 1 39 39 GLN NE2 N 15 112.022 0.094 . 1 . . . . 39 GLN NE2 . 26025 1 421 . 1 1 40 40 LEU H H 1 7.563 0.005 . 1 . . . . 40 LEU H . 26025 1 422 . 1 1 40 40 LEU HA H 1 4.008 0.015 . 1 . . . . 40 LEU HA . 26025 1 423 . 1 1 40 40 LEU HB2 H 1 1.872 0.013 . 2 . . . . 40 LEU HB2 . 26025 1 424 . 1 1 40 40 LEU HB3 H 1 1.113 0.013 . 2 . . . . 40 LEU HB3 . 26025 1 425 . 1 1 40 40 LEU HG H 1 1.312 0.011 . 1 . . . . 40 LEU HG . 26025 1 426 . 1 1 40 40 LEU HD11 H 1 0.924 0.010 . 2 . . . . 40 LEU HD11 . 26025 1 427 . 1 1 40 40 LEU HD12 H 1 0.924 0.010 . 2 . . . . 40 LEU HD12 . 26025 1 428 . 1 1 40 40 LEU HD13 H 1 0.924 0.010 . 2 . . . . 40 LEU HD13 . 26025 1 429 . 1 1 40 40 LEU HD21 H 1 0.400 0.014 . 2 . . . . 40 LEU HD21 . 26025 1 430 . 1 1 40 40 LEU HD22 H 1 0.400 0.014 . 2 . . . . 40 LEU HD22 . 26025 1 431 . 1 1 40 40 LEU HD23 H 1 0.400 0.014 . 2 . . . . 40 LEU HD23 . 26025 1 432 . 1 1 40 40 LEU C C 13 174.995 0.5 . 1 . . . . 40 LEU C . 26025 1 433 . 1 1 40 40 LEU CA C 13 59.075 0.168 . 1 . . . . 40 LEU CA . 26025 1 434 . 1 1 40 40 LEU CB C 13 41.325 0.089 . 1 . . . . 40 LEU CB . 26025 1 435 . 1 1 40 40 LEU CG C 13 28.365 0.075 . 1 . . . . 40 LEU CG . 26025 1 436 . 1 1 40 40 LEU CD1 C 13 25.261 0.178 . 2 . . . . 40 LEU CD1 . 26025 1 437 . 1 1 40 40 LEU CD2 C 13 26.686 0.186 . 2 . . . . 40 LEU CD2 . 26025 1 438 . 1 1 40 40 LEU N N 15 124.090 0.020 . 1 . . . . 40 LEU N . 26025 1 439 . 1 1 41 41 ILE H H 1 8.529 0.013 . 1 . . . . 41 ILE H . 26025 1 440 . 1 1 41 41 ILE HA H 1 3.661 0.007 . 1 . . . . 41 ILE HA . 26025 1 441 . 1 1 41 41 ILE HB H 1 1.677 0.020 . 1 . . . . 41 ILE HB . 26025 1 442 . 1 1 41 41 ILE HG12 H 1 1.720 0.013 . 2 . . . . 41 ILE HG12 . 26025 1 443 . 1 1 41 41 ILE HG13 H 1 1.269 0.017 . 2 . . . . 41 ILE HG13 . 26025 1 444 . 1 1 41 41 ILE HG21 H 1 0.965 0.013 . 1 . . . . 41 ILE HG21 . 26025 1 445 . 1 1 41 41 ILE HG22 H 1 0.965 0.013 . 1 . . . . 41 ILE HG22 . 26025 1 446 . 1 1 41 41 ILE HG23 H 1 0.965 0.013 . 1 . . . . 41 ILE HG23 . 26025 1 447 . 1 1 41 41 ILE HD11 H 1 0.642 0.008 . 1 . . . . 41 ILE HD11 . 26025 1 448 . 1 1 41 41 ILE HD12 H 1 0.642 0.008 . 1 . . . . 41 ILE HD12 . 26025 1 449 . 1 1 41 41 ILE HD13 H 1 0.642 0.008 . 1 . . . . 41 ILE HD13 . 26025 1 450 . 1 1 41 41 ILE C C 13 178.530 0.5 . 1 . . . . 41 ILE C . 26025 1 451 . 1 1 41 41 ILE CA C 13 67.505 0.117 . 1 . . . . 41 ILE CA . 26025 1 452 . 1 1 41 41 ILE CB C 13 38.869 0.025 . 1 . . . . 41 ILE CB . 26025 1 453 . 1 1 41 41 ILE CG1 C 13 28.411 0.078 . 1 . . . . 41 ILE CG1 . 26025 1 454 . 1 1 41 41 ILE CG2 C 13 19.020 0.060 . 1 . . . . 41 ILE CG2 . 26025 1 455 . 1 1 41 41 ILE CD1 C 13 15.495 0.014 . 1 . . . . 41 ILE CD1 . 26025 1 456 . 1 1 41 41 ILE N N 15 118.869 0.038 . 1 . . . . 41 ILE N . 26025 1 457 . 1 1 42 42 CYS H H 1 8.436 0.005 . 1 . . . . 42 CYS H . 26025 1 458 . 1 1 42 42 CYS HA H 1 4.192 0.005 . 1 . . . . 42 CYS HA . 26025 1 459 . 1 1 42 42 CYS HB2 H 1 2.913 0.008 . 1 . . . . 42 CYS HB2 . 26025 1 460 . 1 1 42 42 CYS HB3 H 1 2.914 0.008 . 1 . . . . 42 CYS HB3 . 26025 1 461 . 1 1 42 42 CYS C C 13 176.885 0.5 . 1 . . . . 42 CYS C . 26025 1 462 . 1 1 42 42 CYS CA C 13 62.888 0.033 . 1 . . . . 42 CYS CA . 26025 1 463 . 1 1 42 42 CYS CB C 13 27.876 0.084 . 1 . . . . 42 CYS CB . 26025 1 464 . 1 1 42 42 CYS N N 15 114.140 0.029 . 1 . . . . 42 CYS N . 26025 1 465 . 1 1 43 43 GLY H H 1 7.542 0.003 . 1 . . . . 43 GLY H . 26025 1 466 . 1 1 43 43 GLY HA2 H 1 3.653 0.003 . 2 . . . . 43 GLY HA2 . 26025 1 467 . 1 1 43 43 GLY HA3 H 1 3.143 0.005 . 2 . . . . 43 GLY HA3 . 26025 1 468 . 1 1 43 43 GLY C C 13 174.789 0.5 . 1 . . . . 43 GLY C . 26025 1 469 . 1 1 43 43 GLY CA C 13 46.974 0.045 . 1 . . . . 43 GLY CA . 26025 1 470 . 1 1 43 43 GLY N N 15 107.949 0.033 . 1 . . . . 43 GLY N . 26025 1 471 . 1 1 44 44 ALA H H 1 7.574 0.002 . 1 . . . . 44 ALA H . 26025 1 472 . 1 1 44 44 ALA HA H 1 3.638 0.003 . 1 . . . . 44 ALA HA . 26025 1 473 . 1 1 44 44 ALA HB1 H 1 0.900 0.006 . 1 . . . . 44 ALA HB1 . 26025 1 474 . 1 1 44 44 ALA HB2 H 1 0.900 0.006 . 1 . . . . 44 ALA HB2 . 26025 1 475 . 1 1 44 44 ALA HB3 H 1 0.900 0.006 . 1 . . . . 44 ALA HB3 . 26025 1 476 . 1 1 44 44 ALA C C 13 176.936 0.5 . 1 . . . . 44 ALA C . 26025 1 477 . 1 1 44 44 ALA CA C 13 54.609 0.095 . 1 . . . . 44 ALA CA . 26025 1 478 . 1 1 44 44 ALA CB C 13 19.767 0.099 . 1 . . . . 44 ALA CB . 26025 1 479 . 1 1 44 44 ALA N N 15 123.031 0.035 . 1 . . . . 44 ALA N . 26025 1 480 . 1 1 45 45 PHE H H 1 8.019 0.004 . 1 . . . . 45 PHE H . 26025 1 481 . 1 1 45 45 PHE HA H 1 4.686 0.006 . 1 . . . . 45 PHE HA . 26025 1 482 . 1 1 45 45 PHE HB2 H 1 2.949 0.021 . 2 . . . . 45 PHE HB2 . 26025 1 483 . 1 1 45 45 PHE HB3 H 1 2.825 0.009 . 2 . . . . 45 PHE HB3 . 26025 1 484 . 1 1 45 45 PHE HD1 H 1 7.309 0.012 . 3 . . . . 45 PHE HD1 . 26025 1 485 . 1 1 45 45 PHE HD2 H 1 7.309 0.012 . 3 . . . . 45 PHE HD2 . 26025 1 486 . 1 1 45 45 PHE HE1 H 1 6.830 0.027 . 3 . . . . 45 PHE HE1 . 26025 1 487 . 1 1 45 45 PHE HE2 H 1 6.830 0.027 . 3 . . . . 45 PHE HE2 . 26025 1 488 . 1 1 45 45 PHE HZ H 1 6.904 0.027 . 1 . . . . 45 PHE HZ . 26025 1 489 . 1 1 45 45 PHE CA C 13 55.522 0.140 . 1 . . . . 45 PHE CA . 26025 1 490 . 1 1 45 45 PHE CB C 13 39.741 0.119 . 1 . . . . 45 PHE CB . 26025 1 491 . 1 1 45 45 PHE CD1 C 13 132.326 0.148 . 3 . . . . 45 PHE CD1 . 26025 1 492 . 1 1 45 45 PHE CD2 C 13 132.326 0.148 . 3 . . . . 45 PHE CD2 . 26025 1 493 . 1 1 45 45 PHE CE1 C 13 131.358 0.040 . 3 . . . . 45 PHE CE1 . 26025 1 494 . 1 1 45 45 PHE CE2 C 13 131.358 0.040 . 3 . . . . 45 PHE CE2 . 26025 1 495 . 1 1 45 45 PHE CZ C 13 129.632 0.046 . 1 . . . . 45 PHE CZ . 26025 1 496 . 1 1 45 45 PHE N N 15 115.553 0.021 . 1 . . . . 45 PHE N . 26025 1 497 . 1 1 46 46 PRO HA H 1 4.574 0.014 . 1 . . . . 46 PRO HA . 26025 1 498 . 1 1 46 46 PRO HB2 H 1 2.325 0.014 . 2 . . . . 46 PRO HB2 . 26025 1 499 . 1 1 46 46 PRO HB3 H 1 1.895 0.008 . 2 . . . . 46 PRO HB3 . 26025 1 500 . 1 1 46 46 PRO HG2 H 1 2.023 0.018 . 2 . . . . 46 PRO HG2 . 26025 1 501 . 1 1 46 46 PRO HG3 H 1 2.027 0.015 . 2 . . . . 46 PRO HG3 . 26025 1 502 . 1 1 46 46 PRO HD2 H 1 3.471 0.011 . 2 . . . . 46 PRO HD2 . 26025 1 503 . 1 1 46 46 PRO HD3 H 1 3.362 0.014 . 2 . . . . 46 PRO HD3 . 26025 1 504 . 1 1 46 46 PRO C C 13 179.742 0.5 . 1 . . . . 46 PRO C . 26025 1 505 . 1 1 46 46 PRO CA C 13 64.149 0.058 . 1 . . . . 46 PRO CA . 26025 1 506 . 1 1 46 46 PRO CB C 13 32.436 0.105 . 1 . . . . 46 PRO CB . 26025 1 507 . 1 1 46 46 PRO CG C 13 28.150 0.086 . 1 . . . . 46 PRO CG . 26025 1 508 . 1 1 46 46 PRO CD C 13 50.522 0.133 . 1 . . . . 46 PRO CD . 26025 1 509 . 1 1 47 47 GLY H H 1 8.828 0.008 . 1 . . . . 47 GLY H . 26025 1 510 . 1 1 47 47 GLY HA2 H 1 4.087 0.009 . 2 . . . . 47 GLY HA2 . 26025 1 511 . 1 1 47 47 GLY HA3 H 1 3.825 0.004 . 2 . . . . 47 GLY HA3 . 26025 1 512 . 1 1 47 47 GLY C C 13 175.534 0.5 . 1 . . . . 47 GLY C . 26025 1 513 . 1 1 47 47 GLY CA C 13 46.450 0.059 . 1 . . . . 47 GLY CA . 26025 1 514 . 1 1 47 47 GLY N N 15 110.622 0.018 . 1 . . . . 47 GLY N . 26025 1 515 . 1 1 48 48 LEU H H 1 7.918 0.007 . 1 . . . . 48 LEU H . 26025 1 516 . 1 1 48 48 LEU HA H 1 4.325 0.016 . 1 . . . . 48 LEU HA . 26025 1 517 . 1 1 48 48 LEU HB2 H 1 1.965 0.011 . 2 . . . . 48 LEU HB2 . 26025 1 518 . 1 1 48 48 LEU HB3 H 1 1.615 0.010 . 2 . . . . 48 LEU HB3 . 26025 1 519 . 1 1 48 48 LEU HG H 1 2.120 0.008 . 1 . . . . 48 LEU HG . 26025 1 520 . 1 1 48 48 LEU HD11 H 1 0.702 0.018 . 2 . . . . 48 LEU HD11 . 26025 1 521 . 1 1 48 48 LEU HD12 H 1 0.702 0.018 . 2 . . . . 48 LEU HD12 . 26025 1 522 . 1 1 48 48 LEU HD13 H 1 0.702 0.018 . 2 . . . . 48 LEU HD13 . 26025 1 523 . 1 1 48 48 LEU HD21 H 1 0.648 0.018 . 2 . . . . 48 LEU HD21 . 26025 1 524 . 1 1 48 48 LEU HD22 H 1 0.648 0.018 . 2 . . . . 48 LEU HD22 . 26025 1 525 . 1 1 48 48 LEU HD23 H 1 0.648 0.018 . 2 . . . . 48 LEU HD23 . 26025 1 526 . 1 1 48 48 LEU C C 13 178.319 0.5 . 1 . . . . 48 LEU C . 26025 1 527 . 1 1 48 48 LEU CA C 13 56.024 0.095 . 1 . . . . 48 LEU CA . 26025 1 528 . 1 1 48 48 LEU CB C 13 42.427 0.059 . 1 . . . . 48 LEU CB . 26025 1 529 . 1 1 48 48 LEU CG C 13 26.470 0.103 . 1 . . . . 48 LEU CG . 26025 1 530 . 1 1 48 48 LEU CD1 C 13 24.469 0.046 . 2 . . . . 48 LEU CD1 . 26025 1 531 . 1 1 48 48 LEU CD2 C 13 27.409 0.117 . 2 . . . . 48 LEU CD2 . 26025 1 532 . 1 1 48 48 LEU N N 15 121.435 0.017 . 1 . . . . 48 LEU N . 26025 1 533 . 1 1 49 49 SER H H 1 8.757 0.006 . 1 . . . . 49 SER H . 26025 1 534 . 1 1 49 49 SER HA H 1 4.641 0.008 . 1 . . . . 49 SER HA . 26025 1 535 . 1 1 49 49 SER HB2 H 1 4.495 0.005 . 2 . . . . 49 SER HB2 . 26025 1 536 . 1 1 49 49 SER HB3 H 1 4.101 0.008 . 2 . . . . 49 SER HB3 . 26025 1 537 . 1 1 49 49 SER C C 13 175.209 0.5 . 1 . . . . 49 SER C . 26025 1 538 . 1 1 49 49 SER CA C 13 56.988 0.077 . 1 . . . . 49 SER CA . 26025 1 539 . 1 1 49 49 SER CB C 13 66.408 0.069 . 1 . . . . 49 SER CB . 26025 1 540 . 1 1 49 49 SER N N 15 119.477 0.048 . 1 . . . . 49 SER N . 26025 1 541 . 1 1 50 50 TRP H H 1 9.157 0.011 . 1 . . . . 50 TRP H . 26025 1 542 . 1 1 50 50 TRP HA H 1 4.188 0.009 . 1 . . . . 50 TRP HA . 26025 1 543 . 1 1 50 50 TRP HB2 H 1 3.461 0.005 . 2 . . . . 50 TRP HB2 . 26025 1 544 . 1 1 50 50 TRP HB3 H 1 3.261 0.006 . 2 . . . . 50 TRP HB3 . 26025 1 545 . 1 1 50 50 TRP HD1 H 1 7.287 0.006 . 1 . . . . 50 TRP HD1 . 26025 1 546 . 1 1 50 50 TRP HE1 H 1 10.138 0.003 . 1 . . . . 50 TRP HE1 . 26025 1 547 . 1 1 50 50 TRP HE3 H 1 7.496 0.012 . 1 . . . . 50 TRP HE3 . 26025 1 548 . 1 1 50 50 TRP HZ2 H 1 7.434 0.010 . 1 . . . . 50 TRP HZ2 . 26025 1 549 . 1 1 50 50 TRP HZ3 H 1 7.145 0.005 . 1 . . . . 50 TRP HZ3 . 26025 1 550 . 1 1 50 50 TRP HH2 H 1 7.201 0.007 . 1 . . . . 50 TRP HH2 . 26025 1 551 . 1 1 50 50 TRP C C 13 179.095 0.5 . 1 . . . . 50 TRP C . 26025 1 552 . 1 1 50 50 TRP CA C 13 62.917 0.041 . 1 . . . . 50 TRP CA . 26025 1 553 . 1 1 50 50 TRP CB C 13 29.426 0.046 . 1 . . . . 50 TRP CB . 26025 1 554 . 1 1 50 50 TRP CD1 C 13 127.607 0.043 . 1 . . . . 50 TRP CD1 . 26025 1 555 . 1 1 50 50 TRP CE3 C 13 121.059 0.031 . 1 . . . . 50 TRP CE3 . 26025 1 556 . 1 1 50 50 TRP CZ2 C 13 115.408 0.042 . 1 . . . . 50 TRP CZ2 . 26025 1 557 . 1 1 50 50 TRP CZ3 C 13 122.863 0.110 . 1 . . . . 50 TRP CZ3 . 26025 1 558 . 1 1 50 50 TRP CH2 C 13 125.505 0.056 . 1 . . . . 50 TRP CH2 . 26025 1 559 . 1 1 50 50 TRP N N 15 122.788 0.012 . 1 . . . . 50 TRP N . 26025 1 560 . 1 1 50 50 TRP NE1 N 15 129.924 0.015 . 1 . . . . 50 TRP NE1 . 26025 1 561 . 1 1 51 51 GLU H H 1 9.111 0.008 . 1 . . . . 51 GLU H . 26025 1 562 . 1 1 51 51 GLU HA H 1 3.724 0.005 . 1 . . . . 51 GLU HA . 26025 1 563 . 1 1 51 51 GLU HB2 H 1 2.094 0.012 . 2 . . . . 51 GLU HB2 . 26025 1 564 . 1 1 51 51 GLU HB3 H 1 1.967 0.013 . 2 . . . . 51 GLU HB3 . 26025 1 565 . 1 1 51 51 GLU HG2 H 1 2.486 0.011 . 2 . . . . 51 GLU HG2 . 26025 1 566 . 1 1 51 51 GLU HG3 H 1 2.391 0.011 . 2 . . . . 51 GLU HG3 . 26025 1 567 . 1 1 51 51 GLU C C 13 180.305 0.5 . 1 . . . . 51 GLU C . 26025 1 568 . 1 1 51 51 GLU CA C 13 61.311 0.071 . 1 . . . . 51 GLU CA . 26025 1 569 . 1 1 51 51 GLU CB C 13 29.682 0.107 . 1 . . . . 51 GLU CB . 26025 1 570 . 1 1 51 51 GLU CG C 13 37.799 0.095 . 1 . . . . 51 GLU CG . 26025 1 571 . 1 1 51 51 GLU N N 15 117.742 0.031 . 1 . . . . 51 GLU N . 26025 1 572 . 1 1 52 52 GLN H H 1 7.763 0.007 . 1 . . . . 52 GLN H . 26025 1 573 . 1 1 52 52 GLN HA H 1 3.961 0.015 . 1 . . . . 52 GLN HA . 26025 1 574 . 1 1 52 52 GLN HB2 H 1 1.890 0.012 . 2 . . . . 52 GLN HB2 . 26025 1 575 . 1 1 52 52 GLN HB3 H 1 1.894 0.017 . 2 . . . . 52 GLN HB3 . 26025 1 576 . 1 1 52 52 GLN HG2 H 1 2.339 0.018 . 2 . . . . 52 GLN HG2 . 26025 1 577 . 1 1 52 52 GLN HG3 H 1 2.332 0.009 . 2 . . . . 52 GLN HG3 . 26025 1 578 . 1 1 52 52 GLN HE21 H 1 7.558 0.002 . 1 . . . . 52 GLN HE21 . 26025 1 579 . 1 1 52 52 GLN HE22 H 1 6.896 0.001 . 1 . . . . 52 GLN HE22 . 26025 1 580 . 1 1 52 52 GLN C C 13 179.411 0.5 . 1 . . . . 52 GLN C . 26025 1 581 . 1 1 52 52 GLN CA C 13 58.569 0.081 . 1 . . . . 52 GLN CA . 26025 1 582 . 1 1 52 52 GLN CB C 13 29.484 0.001 . 1 . . . . 52 GLN CB . 26025 1 583 . 1 1 52 52 GLN CG C 13 37.344 0.002 . 1 . . . . 52 GLN CG . 26025 1 584 . 1 1 52 52 GLN CD C 13 180.266 0.5 . 1 . . . . 52 GLN CD . 26025 1 585 . 1 1 52 52 GLN N N 15 119.621 0.122 . 1 . . . . 52 GLN N . 26025 1 586 . 1 1 52 52 GLN NE2 N 15 112.352 0.154 . 1 . . . . 52 GLN NE2 . 26025 1 587 . 1 1 53 53 LEU H H 1 8.368 0.005 . 1 . . . . 53 LEU H . 26025 1 588 . 1 1 53 53 LEU HA H 1 3.804 0.006 . 1 . . . . 53 LEU HA . 26025 1 589 . 1 1 53 53 LEU HB2 H 1 1.907 0.011 . 2 . . . . 53 LEU HB2 . 26025 1 590 . 1 1 53 53 LEU HB3 H 1 1.286 0.010 . 2 . . . . 53 LEU HB3 . 26025 1 591 . 1 1 53 53 LEU HG H 1 1.122 0.007 . 1 . . . . 53 LEU HG . 26025 1 592 . 1 1 53 53 LEU HD11 H 1 0.886 0.009 . 2 . . . . 53 LEU HD11 . 26025 1 593 . 1 1 53 53 LEU HD12 H 1 0.886 0.009 . 2 . . . . 53 LEU HD12 . 26025 1 594 . 1 1 53 53 LEU HD13 H 1 0.886 0.009 . 2 . . . . 53 LEU HD13 . 26025 1 595 . 1 1 53 53 LEU HD21 H 1 0.632 0.006 . 2 . . . . 53 LEU HD21 . 26025 1 596 . 1 1 53 53 LEU HD22 H 1 0.632 0.006 . 2 . . . . 53 LEU HD22 . 26025 1 597 . 1 1 53 53 LEU HD23 H 1 0.632 0.006 . 2 . . . . 53 LEU HD23 . 26025 1 598 . 1 1 53 53 LEU C C 13 178.350 0.5 . 1 . . . . 53 LEU C . 26025 1 599 . 1 1 53 53 LEU CA C 13 59.293 0.116 . 1 . . . . 53 LEU CA . 26025 1 600 . 1 1 53 53 LEU CB C 13 41.339 0.201 . 1 . . . . 53 LEU CB . 26025 1 601 . 1 1 53 53 LEU CG C 13 28.246 0.100 . 1 . . . . 53 LEU CG . 26025 1 602 . 1 1 53 53 LEU CD1 C 13 24.290 0.093 . 2 . . . . 53 LEU CD1 . 26025 1 603 . 1 1 53 53 LEU CD2 C 13 26.539 0.105 . 2 . . . . 53 LEU CD2 . 26025 1 604 . 1 1 53 53 LEU N N 15 123.090 0.044 . 1 . . . . 53 LEU N . 26025 1 605 . 1 1 54 54 GLN H H 1 7.603 0.008 . 1 . . . . 54 GLN H . 26025 1 606 . 1 1 54 54 GLN HA H 1 3.679 0.013 . 1 . . . . 54 GLN HA . 26025 1 607 . 1 1 54 54 GLN HB2 H 1 1.879 0.010 . 2 . . . . 54 GLN HB2 . 26025 1 608 . 1 1 54 54 GLN HB3 H 1 1.732 0.012 . 2 . . . . 54 GLN HB3 . 26025 1 609 . 1 1 54 54 GLN HG2 H 1 1.524 0.004 . 1 . . . . 54 GLN HG2 . 26025 1 610 . 1 1 54 54 GLN HG3 H 1 1.524 0.004 . 1 . . . . 54 GLN HG3 . 26025 1 611 . 1 1 54 54 GLN HE21 H 1 7.589 0.012 . 1 . . . . 54 GLN HE21 . 26025 1 612 . 1 1 54 54 GLN HE22 H 1 6.981 0.006 . 1 . . . . 54 GLN HE22 . 26025 1 613 . 1 1 54 54 GLN C C 13 180.622 0.5 . 1 . . . . 54 GLN C . 26025 1 614 . 1 1 54 54 GLN CA C 13 58.111 0.078 . 1 . . . . 54 GLN CA . 26025 1 615 . 1 1 54 54 GLN CB C 13 26.902 0.192 . 1 . . . . 54 GLN CB . 26025 1 616 . 1 1 54 54 GLN CG C 13 32.264 0.086 . 1 . . . . 54 GLN CG . 26025 1 617 . 1 1 54 54 GLN N N 15 114.325 0.037 . 1 . . . . 54 GLN N . 26025 1 618 . 1 1 54 54 GLN NE2 N 15 113.137 0.067 . 1 . . . . 54 GLN NE2 . 26025 1 619 . 1 1 55 55 GLU H H 1 7.584 0.005 . 1 . . . . 55 GLU H . 26025 1 620 . 1 1 55 55 GLU HA H 1 3.938 0.010 . 1 . . . . 55 GLU HA . 26025 1 621 . 1 1 55 55 GLU HB2 H 1 2.068 0.013 . 2 . . . . 55 GLU HB2 . 26025 1 622 . 1 1 55 55 GLU HB3 H 1 2.072 0.007 . 2 . . . . 55 GLU HB3 . 26025 1 623 . 1 1 55 55 GLU HG2 H 1 2.267 0.009 . 2 . . . . 55 GLU HG2 . 26025 1 624 . 1 1 55 55 GLU HG3 H 1 2.047 0.010 . 2 . . . . 55 GLU HG3 . 26025 1 625 . 1 1 55 55 GLU C C 13 179.747 0.5 . 1 . . . . 55 GLU C . 26025 1 626 . 1 1 55 55 GLU CA C 13 59.699 0.049 . 1 . . . . 55 GLU CA . 26025 1 627 . 1 1 55 55 GLU CB C 13 29.663 0.192 . 1 . . . . 55 GLU CB . 26025 1 628 . 1 1 55 55 GLU CG C 13 36.831 0.161 . 1 . . . . 55 GLU CG . 26025 1 629 . 1 1 55 55 GLU N N 15 119.384 0.035 . 1 . . . . 55 GLU N . 26025 1 630 . 1 1 56 56 LYS H H 1 7.576 0.003 . 1 . . . . 56 LYS H . 26025 1 631 . 1 1 56 56 LYS HA H 1 4.048 0.015 . 1 . . . . 56 LYS HA . 26025 1 632 . 1 1 56 56 LYS HB2 H 1 2.046 0.073 . 2 . . . . 56 LYS HB2 . 26025 1 633 . 1 1 56 56 LYS HB3 H 1 1.807 0.071 . 2 . . . . 56 LYS HB3 . 26025 1 634 . 1 1 56 56 LYS HG2 H 1 1.217 0.014 . 2 . . . . 56 LYS HG2 . 26025 1 635 . 1 1 56 56 LYS HG3 H 1 1.220 0.009 . 2 . . . . 56 LYS HG3 . 26025 1 636 . 1 1 56 56 LYS HD2 H 1 1.752 0.04 . 2 . . . . 56 LYS HD2 . 26025 1 637 . 1 1 56 56 LYS HD3 H 1 1.755 0.04 . 2 . . . . 56 LYS HD3 . 26025 1 638 . 1 1 56 56 LYS HE2 H 1 2.958 0.044 . 2 . . . . 56 LYS HE2 . 26025 1 639 . 1 1 56 56 LYS HE3 H 1 2.882 0.04 . 2 . . . . 56 LYS HE3 . 26025 1 640 . 1 1 56 56 LYS C C 13 178.604 0.5 . 1 . . . . 56 LYS C . 26025 1 641 . 1 1 56 56 LYS CA C 13 58.818 0.146 . 1 . . . . 56 LYS CA . 26025 1 642 . 1 1 56 56 LYS CB C 13 32.617 0.060 . 1 . . . . 56 LYS CB . 26025 1 643 . 1 1 56 56 LYS CG C 13 25.954 0.095 . 1 . . . . 56 LYS CG . 26025 1 644 . 1 1 56 56 LYS N N 15 117.726 0.014 . 1 . . . . 56 LYS N . 26025 1 645 . 1 1 57 57 LYS H H 1 7.074 0.003 . 1 . . . . 57 LYS H . 26025 1 646 . 1 1 57 57 LYS HA H 1 4.105 0.012 . 1 . . . . 57 LYS HA . 26025 1 647 . 1 1 57 57 LYS HB2 H 1 1.947 0.008 . 2 . . . . 57 LYS HB2 . 26025 1 648 . 1 1 57 57 LYS HB3 H 1 1.608 0.006 . 2 . . . . 57 LYS HB3 . 26025 1 649 . 1 1 57 57 LYS HG2 H 1 1.370 0.014 . 2 . . . . 57 LYS HG2 . 26025 1 650 . 1 1 57 57 LYS HG3 H 1 1.199 0.021 . 2 . . . . 57 LYS HG3 . 26025 1 651 . 1 1 57 57 LYS HD2 H 1 1.629 0.001 . 2 . . . . 57 LYS HD2 . 26025 1 652 . 1 1 57 57 LYS HD3 H 1 1.622 0.008 . 2 . . . . 57 LYS HD3 . 26025 1 653 . 1 1 57 57 LYS HE2 H 1 2.711 0.005 . 2 . . . . 57 LYS HE2 . 26025 1 654 . 1 1 57 57 LYS HE3 H 1 2.469 0.009 . 2 . . . . 57 LYS HE3 . 26025 1 655 . 1 1 57 57 LYS C C 13 177.056 0.5 . 1 . . . . 57 LYS C . 26025 1 656 . 1 1 57 57 LYS CA C 13 57.194 0.065 . 1 . . . . 57 LYS CA . 26025 1 657 . 1 1 57 57 LYS CB C 13 33.433 0.089 . 1 . . . . 57 LYS CB . 26025 1 658 . 1 1 57 57 LYS CG C 13 26.420 0.127 . 1 . . . . 57 LYS CG . 26025 1 659 . 1 1 57 57 LYS CE C 13 42.385 0.031 . 1 . . . . 57 LYS CE . 26025 1 660 . 1 1 57 57 LYS N N 15 115.562 0.037 . 1 . . . . 57 LYS N . 26025 1 661 . 1 1 58 58 LYS H H 1 7.282 0.004 . 1 . . . . 58 LYS H . 26025 1 662 . 1 1 58 58 LYS HA H 1 4.045 0.019 . 1 . . . . 58 LYS HA . 26025 1 663 . 1 1 58 58 LYS HB2 H 1 1.852 0.010 . 2 . . . . 58 LYS HB2 . 26025 1 664 . 1 1 58 58 LYS HB3 H 1 1.851 0.010 . 2 . . . . 58 LYS HB3 . 26025 1 665 . 1 1 58 58 LYS HG2 H 1 1.470 0.04 . 2 . . . . 58 LYS HG2 . 26025 1 666 . 1 1 58 58 LYS HG3 H 1 1.484 0.014 . 2 . . . . 58 LYS HG3 . 26025 1 667 . 1 1 58 58 LYS HE2 H 1 2.749 0.04 . 1 . . . . 58 LYS HE2 . 26025 1 668 . 1 1 58 58 LYS HE3 H 1 2.749 0.04 . 1 . . . . 58 LYS HE3 . 26025 1 669 . 1 1 58 58 LYS CA C 13 58.504 0.106 . 1 . . . . 58 LYS CA . 26025 1 670 . 1 1 58 58 LYS CB C 13 32.616 0.071 . 1 . . . . 58 LYS CB . 26025 1 671 . 1 1 58 58 LYS N N 15 121.522 0.021 . 1 . . . . 58 LYS N . 26025 1 672 . 1 1 59 59 GLY HA2 H 1 4.089 0.004 . 2 . . . . 59 GLY HA2 . 26025 1 673 . 1 1 59 59 GLY HA3 H 1 3.822 0.003 . 2 . . . . 59 GLY HA3 . 26025 1 674 . 1 1 59 59 GLY C C 13 175.171 0.5 . 1 . . . . 59 GLY C . 26025 1 675 . 1 1 59 59 GLY CA C 13 46.422 0.019 . 1 . . . . 59 GLY CA . 26025 1 676 . 1 1 60 60 ARG H H 1 7.778 0.007 . 1 . . . . 60 ARG H . 26025 1 677 . 1 1 60 60 ARG HA H 1 4.394 0.009 . 1 . . . . 60 ARG HA . 26025 1 678 . 1 1 60 60 ARG HB2 H 1 1.875 0.015 . 2 . . . . 60 ARG HB2 . 26025 1 679 . 1 1 60 60 ARG HB3 H 1 1.882 0.016 . 2 . . . . 60 ARG HB3 . 26025 1 680 . 1 1 60 60 ARG HG2 H 1 1.563 0.016 . 2 . . . . 60 ARG HG2 . 26025 1 681 . 1 1 60 60 ARG HG3 H 1 1.562 0.013 . 2 . . . . 60 ARG HG3 . 26025 1 682 . 1 1 60 60 ARG HD2 H 1 3.202 0.010 . 2 . . . . 60 ARG HD2 . 26025 1 683 . 1 1 60 60 ARG HD3 H 1 3.084 0.018 . 2 . . . . 60 ARG HD3 . 26025 1 684 . 1 1 60 60 ARG C C 13 176.251 0.5 . 1 . . . . 60 ARG C . 26025 1 685 . 1 1 60 60 ARG CA C 13 56.232 0.062 . 1 . . . . 60 ARG CA . 26025 1 686 . 1 1 60 60 ARG CB C 13 30.945 0.172 . 1 . . . . 60 ARG CB . 26025 1 687 . 1 1 60 60 ARG CG C 13 27.893 0.039 . 1 . . . . 60 ARG CG . 26025 1 688 . 1 1 60 60 ARG CD C 13 44.082 0.036 . 1 . . . . 60 ARG CD . 26025 1 689 . 1 1 60 60 ARG N N 15 118.790 0.062 . 1 . . . . 60 ARG N . 26025 1 690 . 1 1 61 61 ALA H H 1 8.207 0.019 . 1 . . . . 61 ALA H . 26025 1 691 . 1 1 61 61 ALA HA H 1 4.378 0.005 . 1 . . . . 61 ALA HA . 26025 1 692 . 1 1 61 61 ALA HB1 H 1 1.419 0.014 . 1 . . . . 61 ALA HB1 . 26025 1 693 . 1 1 61 61 ALA HB2 H 1 1.419 0.014 . 1 . . . . 61 ALA HB2 . 26025 1 694 . 1 1 61 61 ALA HB3 H 1 1.419 0.014 . 1 . . . . 61 ALA HB3 . 26025 1 695 . 1 1 61 61 ALA CA C 13 53.377 0.019 . 1 . . . . 61 ALA CA . 26025 1 696 . 1 1 61 61 ALA CB C 13 19.101 0.106 . 1 . . . . 61 ALA CB . 26025 1 697 . 1 1 61 61 ALA N N 15 123.928 0.001 . 1 . . . . 61 ALA N . 26025 1 698 . 1 1 62 62 ALA H H 1 8.025 0.004 . 1 . . . . 62 ALA H . 26025 1 699 . 1 1 62 62 ALA HA H 1 4.112 0.006 . 1 . . . . 62 ALA HA . 26025 1 700 . 1 1 62 62 ALA HB1 H 1 1.136 0.010 . 1 . . . . 62 ALA HB1 . 26025 1 701 . 1 1 62 62 ALA HB2 H 1 1.136 0.010 . 1 . . . . 62 ALA HB2 . 26025 1 702 . 1 1 62 62 ALA HB3 H 1 1.136 0.010 . 1 . . . . 62 ALA HB3 . 26025 1 703 . 1 1 62 62 ALA CA C 13 53.294 0.042 . 1 . . . . 62 ALA CA . 26025 1 704 . 1 1 62 62 ALA CB C 13 19.529 0.112 . 1 . . . . 62 ALA CB . 26025 1 705 . 1 1 62 62 ALA N N 15 124.384 0.019 . 1 . . . . 62 ALA N . 26025 1 706 . 1 1 63 63 ALA H H 1 8.025 0.004 . 1 . . . . 63 ALA H . 26025 1 707 . 1 1 63 63 ALA HA H 1 4.317 0.008 . 1 . . . . 63 ALA HA . 26025 1 708 . 1 1 63 63 ALA HB1 H 1 1.151 0.008 . 1 . . . . 63 ALA HB1 . 26025 1 709 . 1 1 63 63 ALA HB2 H 1 1.151 0.008 . 1 . . . . 63 ALA HB2 . 26025 1 710 . 1 1 63 63 ALA HB3 H 1 1.151 0.008 . 1 . . . . 63 ALA HB3 . 26025 1 711 . 1 1 63 63 ALA CA C 13 52.766 0.097 . 1 . . . . 63 ALA CA . 26025 1 712 . 1 1 63 63 ALA CB C 13 19.918 0.073 . 1 . . . . 63 ALA CB . 26025 1 713 . 1 1 63 63 ALA N N 15 124.382 0.030 . 1 . . . . 63 ALA N . 26025 1 714 . 1 1 64 64 ASN H H 1 8.319 0.020 . 1 . . . . 64 ASN H . 26025 1 715 . 1 1 64 64 ASN HA H 1 4.831 0.015 . 1 . . . . 64 ASN HA . 26025 1 716 . 1 1 64 64 ASN HB2 H 1 2.919 0.006 . 2 . . . . 64 ASN HB2 . 26025 1 717 . 1 1 64 64 ASN HB3 H 1 2.742 0.008 . 2 . . . . 64 ASN HB3 . 26025 1 718 . 1 1 64 64 ASN HD21 H 1 7.673 0.011 . 1 . . . . 64 ASN HD21 . 26025 1 719 . 1 1 64 64 ASN HD22 H 1 6.948 0.010 . 1 . . . . 64 ASN HD22 . 26025 1 720 . 1 1 64 64 ASN C C 13 175.615 0.5 . 1 . . . . 64 ASN C . 26025 1 721 . 1 1 64 64 ASN CA C 13 52.873 0.082 . 1 . . . . 64 ASN CA . 26025 1 722 . 1 1 64 64 ASN CB C 13 39.337 0.059 . 1 . . . . 64 ASN CB . 26025 1 723 . 1 1 64 64 ASN CG C 13 178.388 0.5 . 1 . . . . 64 ASN CG . 26025 1 724 . 1 1 64 64 ASN N N 15 123.092 0.030 . 1 . . . . 64 ASN N . 26025 1 725 . 1 1 64 64 ASN ND2 N 15 112.673 0.176 . 1 . . . . 64 ASN ND2 . 26025 1 726 . 1 1 65 65 GLY H H 1 7.861 0.004 . 1 . . . . 65 GLY H . 26025 1 727 . 1 1 65 65 GLY HA2 H 1 4.306 0.006 . 2 . . . . 65 GLY HA2 . 26025 1 728 . 1 1 65 65 GLY HA3 H 1 3.784 0.008 . 2 . . . . 65 GLY HA3 . 26025 1 729 . 1 1 65 65 GLY C C 13 173.685 0.5 . 1 . . . . 65 GLY C . 26025 1 730 . 1 1 65 65 GLY CA C 13 45.197 0.089 . 1 . . . . 65 GLY CA . 26025 1 731 . 1 1 65 65 GLY N N 15 107.126 0.025 . 1 . . . . 65 GLY N . 26025 1 732 . 1 1 66 66 TYR H H 1 9.395 0.002 . 1 . . . . 66 TYR H . 26025 1 733 . 1 1 66 66 TYR HA H 1 4.648 0.017 . 1 . . . . 66 TYR HA . 26025 1 734 . 1 1 66 66 TYR HB2 H 1 3.326 0.006 . 2 . . . . 66 TYR HB2 . 26025 1 735 . 1 1 66 66 TYR HB3 H 1 2.844 0.008 . 2 . . . . 66 TYR HB3 . 26025 1 736 . 1 1 66 66 TYR HD1 H 1 6.871 0.013 . 3 . . . . 66 TYR HD1 . 26025 1 737 . 1 1 66 66 TYR HD2 H 1 6.871 0.013 . 3 . . . . 66 TYR HD2 . 26025 1 738 . 1 1 66 66 TYR HE1 H 1 6.634 0.019 . 3 . . . . 66 TYR HE1 . 26025 1 739 . 1 1 66 66 TYR HE2 H 1 6.634 0.019 . 3 . . . . 66 TYR HE2 . 26025 1 740 . 1 1 66 66 TYR HH H 1 9.375 0.04 . 1 . . . . 66 TYR HH . 26025 1 741 . 1 1 66 66 TYR C C 13 176.110 0.5 . 1 . . . . 66 TYR C . 26025 1 742 . 1 1 66 66 TYR CA C 13 57.709 0.081 . 1 . . . . 66 TYR CA . 26025 1 743 . 1 1 66 66 TYR CB C 13 39.810 0.152 . 1 . . . . 66 TYR CB . 26025 1 744 . 1 1 66 66 TYR CD1 C 13 132.872 0.043 . 3 . . . . 66 TYR CD1 . 26025 1 745 . 1 1 66 66 TYR CD2 C 13 132.872 0.043 . 3 . . . . 66 TYR CD2 . 26025 1 746 . 1 1 66 66 TYR CE1 C 13 118.909 0.177 . 3 . . . . 66 TYR CE1 . 26025 1 747 . 1 1 66 66 TYR CE2 C 13 118.909 0.177 . 3 . . . . 66 TYR CE2 . 26025 1 748 . 1 1 66 66 TYR N N 15 120.797 0.006 . 1 . . . . 66 TYR N . 26025 1 749 . 1 1 67 67 ASP H H 1 8.254 0.003 . 1 . . . . 67 ASP H . 26025 1 750 . 1 1 67 67 ASP HA H 1 5.047 0.007 . 1 . . . . 67 ASP HA . 26025 1 751 . 1 1 67 67 ASP HB2 H 1 3.440 0.007 . 2 . . . . 67 ASP HB2 . 26025 1 752 . 1 1 67 67 ASP HB3 H 1 2.749 0.010 . 2 . . . . 67 ASP HB3 . 26025 1 753 . 1 1 67 67 ASP C C 13 175.020 0.5 . 1 . . . . 67 ASP C . 26025 1 754 . 1 1 67 67 ASP CA C 13 53.031 0.160 . 1 . . . . 67 ASP CA . 26025 1 755 . 1 1 67 67 ASP CB C 13 41.132 0.085 . 1 . . . . 67 ASP CB . 26025 1 756 . 1 1 67 67 ASP N N 15 123.101 0.032 . 1 . . . . 67 ASP N . 26025 1 757 . 1 1 68 68 ARG H H 1 8.552 0.007 . 1 . . . . 68 ARG H . 26025 1 758 . 1 1 68 68 ARG HA H 1 3.080 0.007 . 1 . . . . 68 ARG HA . 26025 1 759 . 1 1 68 68 ARG HB2 H 1 1.379 0.006 . 2 . . . . 68 ARG HB2 . 26025 1 760 . 1 1 68 68 ARG HB3 H 1 1.182 0.005 . 2 . . . . 68 ARG HB3 . 26025 1 761 . 1 1 68 68 ARG HG2 H 1 0.780 0.007 . 2 . . . . 68 ARG HG2 . 26025 1 762 . 1 1 68 68 ARG HG3 H 1 0.781 0.007 . 2 . . . . 68 ARG HG3 . 26025 1 763 . 1 1 68 68 ARG HD2 H 1 2.882 0.008 . 2 . . . . 68 ARG HD2 . 26025 1 764 . 1 1 68 68 ARG HD3 H 1 2.883 0.007 . 2 . . . . 68 ARG HD3 . 26025 1 765 . 1 1 68 68 ARG C C 13 179.157 0.5 . 1 . . . . 68 ARG C . 26025 1 766 . 1 1 68 68 ARG CA C 13 61.655 0.037 . 1 . . . . 68 ARG CA . 26025 1 767 . 1 1 68 68 ARG CB C 13 30.201 0.027 . 1 . . . . 68 ARG CB . 26025 1 768 . 1 1 68 68 ARG CG C 13 28.212 0.121 . 1 . . . . 68 ARG CG . 26025 1 769 . 1 1 68 68 ARG CD C 13 43.889 0.158 . 1 . . . . 68 ARG CD . 26025 1 770 . 1 1 68 68 ARG N N 15 118.741 0.062 . 1 . . . . 68 ARG N . 26025 1 771 . 1 1 69 69 SER H H 1 8.019 0.004 . 1 . . . . 69 SER H . 26025 1 772 . 1 1 69 69 SER HA H 1 3.935 0.015 . 1 . . . . 69 SER HA . 26025 1 773 . 1 1 69 69 SER HB2 H 1 4.226 0.016 . 2 . . . . 69 SER HB2 . 26025 1 774 . 1 1 69 69 SER HB3 H 1 4.226 0.015 . 2 . . . . 69 SER HB3 . 26025 1 775 . 1 1 69 69 SER C C 13 177.576 0.5 . 1 . . . . 69 SER C . 26025 1 776 . 1 1 69 69 SER CA C 13 62.068 0.5 . 1 . . . . 69 SER CA . 26025 1 777 . 1 1 69 69 SER CB C 13 62.798 0.229 . 1 . . . . 69 SER CB . 26025 1 778 . 1 1 69 69 SER N N 15 114.109 0.146 . 1 . . . . 69 SER N . 26025 1 779 . 1 1 70 70 ALA H H 1 8.612 0.005 . 1 . . . . 70 ALA H . 26025 1 780 . 1 1 70 70 ALA HA H 1 4.269 0.009 . 1 . . . . 70 ALA HA . 26025 1 781 . 1 1 70 70 ALA HB1 H 1 1.660 0.005 . 1 . . . . 70 ALA HB1 . 26025 1 782 . 1 1 70 70 ALA HB2 H 1 1.660 0.005 . 1 . . . . 70 ALA HB2 . 26025 1 783 . 1 1 70 70 ALA HB3 H 1 1.660 0.005 . 1 . . . . 70 ALA HB3 . 26025 1 784 . 1 1 70 70 ALA C C 13 181.235 0.5 . 1 . . . . 70 ALA C . 26025 1 785 . 1 1 70 70 ALA CA C 13 55.197 0.081 . 1 . . . . 70 ALA CA . 26025 1 786 . 1 1 70 70 ALA CB C 13 19.665 0.055 . 1 . . . . 70 ALA CB . 26025 1 787 . 1 1 70 70 ALA N N 15 126.351 0.048 . 1 . . . . 70 ALA N . 26025 1 788 . 1 1 71 71 PHE H H 1 9.379 0.002 . 1 . . . . 71 PHE H . 26025 1 789 . 1 1 71 71 PHE HA H 1 4.045 0.008 . 1 . . . . 71 PHE HA . 26025 1 790 . 1 1 71 71 PHE HB2 H 1 3.444 0.005 . 2 . . . . 71 PHE HB2 . 26025 1 791 . 1 1 71 71 PHE HB3 H 1 3.196 0.005 . 2 . . . . 71 PHE HB3 . 26025 1 792 . 1 1 71 71 PHE HD1 H 1 7.011 0.011 . 3 . . . . 71 PHE HD1 . 26025 1 793 . 1 1 71 71 PHE HD2 H 1 7.011 0.011 . 3 . . . . 71 PHE HD2 . 26025 1 794 . 1 1 71 71 PHE HE1 H 1 7.181 0.04 . 3 . . . . 71 PHE HE1 . 26025 1 795 . 1 1 71 71 PHE HE2 H 1 7.181 0.04 . 3 . . . . 71 PHE HE2 . 26025 1 796 . 1 1 71 71 PHE HZ H 1 7.117 0.002 . 1 . . . . 71 PHE HZ . 26025 1 797 . 1 1 71 71 PHE C C 13 176.697 0.5 . 1 . . . . 71 PHE C . 26025 1 798 . 1 1 71 71 PHE CA C 13 63.049 0.082 . 1 . . . . 71 PHE CA . 26025 1 799 . 1 1 71 71 PHE CB C 13 41.455 0.048 . 1 . . . . 71 PHE CB . 26025 1 800 . 1 1 71 71 PHE CD1 C 13 131.039 0.5 . 3 . . . . 71 PHE CD1 . 26025 1 801 . 1 1 71 71 PHE CD2 C 13 131.039 0.5 . 3 . . . . 71 PHE CD2 . 26025 1 802 . 1 1 71 71 PHE CE1 C 13 131.005 0.5 . 3 . . . . 71 PHE CE1 . 26025 1 803 . 1 1 71 71 PHE CE2 C 13 131.005 0.5 . 3 . . . . 71 PHE CE2 . 26025 1 804 . 1 1 71 71 PHE CZ C 13 130.355 0.185 . 1 . . . . 71 PHE CZ . 26025 1 805 . 1 1 71 71 PHE N N 15 120.828 0.007 . 1 . . . . 71 PHE N . 26025 1 806 . 1 1 72 72 PHE H H 1 8.791 0.003 . 1 . . . . 72 PHE H . 26025 1 807 . 1 1 72 72 PHE HA H 1 3.835 0.004 . 1 . . . . 72 PHE HA . 26025 1 808 . 1 1 72 72 PHE HB2 H 1 3.332 0.007 . 2 . . . . 72 PHE HB2 . 26025 1 809 . 1 1 72 72 PHE HB3 H 1 3.178 0.008 . 2 . . . . 72 PHE HB3 . 26025 1 810 . 1 1 72 72 PHE HD1 H 1 7.195 0.04 . 3 . . . . 72 PHE HD1 . 26025 1 811 . 1 1 72 72 PHE HD2 H 1 7.195 0.04 . 3 . . . . 72 PHE HD2 . 26025 1 812 . 1 1 72 72 PHE HE1 H 1 7.357 0.020 . 3 . . . . 72 PHE HE1 . 26025 1 813 . 1 1 72 72 PHE HE2 H 1 7.357 0.020 . 3 . . . . 72 PHE HE2 . 26025 1 814 . 1 1 72 72 PHE C C 13 177.882 0.5 . 1 . . . . 72 PHE C . 26025 1 815 . 1 1 72 72 PHE CA C 13 62.908 0.071 . 1 . . . . 72 PHE CA . 26025 1 816 . 1 1 72 72 PHE CB C 13 39.404 0.055 . 1 . . . . 72 PHE CB . 26025 1 817 . 1 1 72 72 PHE CD1 C 13 131.008 0.5 . 3 . . . . 72 PHE CD1 . 26025 1 818 . 1 1 72 72 PHE CD2 C 13 131.008 0.5 . 3 . . . . 72 PHE CD2 . 26025 1 819 . 1 1 72 72 PHE CE1 C 13 132.181 0.195 . 3 . . . . 72 PHE CE1 . 26025 1 820 . 1 1 72 72 PHE CE2 C 13 132.181 0.195 . 3 . . . . 72 PHE CE2 . 26025 1 821 . 1 1 72 72 PHE N N 15 118.763 0.025 . 1 . . . . 72 PHE N . 26025 1 822 . 1 1 73 73 SER H H 1 8.243 0.003 . 1 . . . . 73 SER H . 26025 1 823 . 1 1 73 73 SER HA H 1 4.097 0.014 . 1 . . . . 73 SER HA . 26025 1 824 . 1 1 73 73 SER HB2 H 1 4.061 0.016 . 2 . . . . 73 SER HB2 . 26025 1 825 . 1 1 73 73 SER HB3 H 1 3.973 0.024 . 2 . . . . 73 SER HB3 . 26025 1 826 . 1 1 73 73 SER C C 13 176.930 0.5 . 1 . . . . 73 SER C . 26025 1 827 . 1 1 73 73 SER CA C 13 61.838 0.071 . 1 . . . . 73 SER CA . 26025 1 828 . 1 1 73 73 SER CB C 13 63.364 0.151 . 1 . . . . 73 SER CB . 26025 1 829 . 1 1 73 73 SER N N 15 112.207 0.024 . 1 . . . . 73 SER N . 26025 1 830 . 1 1 74 74 LEU H H 1 7.714 0.004 . 1 . . . . 74 LEU H . 26025 1 831 . 1 1 74 74 LEU HA H 1 3.973 0.013 . 1 . . . . 74 LEU HA . 26025 1 832 . 1 1 74 74 LEU HB2 H 1 1.713 0.007 . 2 . . . . 74 LEU HB2 . 26025 1 833 . 1 1 74 74 LEU HB3 H 1 1.517 0.011 . 2 . . . . 74 LEU HB3 . 26025 1 834 . 1 1 74 74 LEU HG H 1 0.788 0.003 . 1 . . . . 74 LEU HG . 26025 1 835 . 1 1 74 74 LEU HD11 H 1 0.695 0.008 . 2 . . . . 74 LEU HD11 . 26025 1 836 . 1 1 74 74 LEU HD12 H 1 0.695 0.008 . 2 . . . . 74 LEU HD12 . 26025 1 837 . 1 1 74 74 LEU HD13 H 1 0.695 0.008 . 2 . . . . 74 LEU HD13 . 26025 1 838 . 1 1 74 74 LEU HD21 H 1 0.282 0.010 . 2 . . . . 74 LEU HD21 . 26025 1 839 . 1 1 74 74 LEU HD22 H 1 0.282 0.010 . 2 . . . . 74 LEU HD22 . 26025 1 840 . 1 1 74 74 LEU HD23 H 1 0.282 0.010 . 2 . . . . 74 LEU HD23 . 26025 1 841 . 1 1 74 74 LEU C C 13 179.880 0.5 . 1 . . . . 74 LEU C . 26025 1 842 . 1 1 74 74 LEU CA C 13 59.038 0.049 . 1 . . . . 74 LEU CA . 26025 1 843 . 1 1 74 74 LEU CB C 13 42.407 0.042 . 1 . . . . 74 LEU CB . 26025 1 844 . 1 1 74 74 LEU CG C 13 27.934 0.173 . 1 . . . . 74 LEU CG . 26025 1 845 . 1 1 74 74 LEU CD1 C 13 24.417 0.024 . 2 . . . . 74 LEU CD1 . 26025 1 846 . 1 1 74 74 LEU CD2 C 13 26.432 0.101 . 2 . . . . 74 LEU CD2 . 26025 1 847 . 1 1 74 74 LEU N N 15 121.441 0.026 . 1 . . . . 74 LEU N . 26025 1 848 . 1 1 75 75 VAL H H 1 7.883 0.009 . 1 . . . . 75 VAL H . 26025 1 849 . 1 1 75 75 VAL HA H 1 3.159 0.005 . 1 . . . . 75 VAL HA . 26025 1 850 . 1 1 75 75 VAL HB H 1 1.668 0.007 . 1 . . . . 75 VAL HB . 26025 1 851 . 1 1 75 75 VAL HG11 H 1 0.613 0.011 . 2 . . . . 75 VAL HG11 . 26025 1 852 . 1 1 75 75 VAL HG12 H 1 0.613 0.011 . 2 . . . . 75 VAL HG12 . 26025 1 853 . 1 1 75 75 VAL HG13 H 1 0.613 0.011 . 2 . . . . 75 VAL HG13 . 26025 1 854 . 1 1 75 75 VAL HG21 H 1 0.203 0.002 . 2 . . . . 75 VAL HG21 . 26025 1 855 . 1 1 75 75 VAL HG22 H 1 0.203 0.002 . 2 . . . . 75 VAL HG22 . 26025 1 856 . 1 1 75 75 VAL HG23 H 1 0.203 0.002 . 2 . . . . 75 VAL HG23 . 26025 1 857 . 1 1 75 75 VAL C C 13 175.756 0.5 . 1 . . . . 75 VAL C . 26025 1 858 . 1 1 75 75 VAL CA C 13 66.347 0.022 . 1 . . . . 75 VAL CA . 26025 1 859 . 1 1 75 75 VAL CB C 13 31.785 0.084 . 1 . . . . 75 VAL CB . 26025 1 860 . 1 1 75 75 VAL CG1 C 13 22.597 0.044 . 2 . . . . 75 VAL CG1 . 26025 1 861 . 1 1 75 75 VAL CG2 C 13 23.170 0.016 . 2 . . . . 75 VAL CG2 . 26025 1 862 . 1 1 75 75 VAL N N 15 119.795 0.035 . 1 . . . . 75 VAL N . 26025 1 863 . 1 1 76 76 ALA H H 1 8.010 0.005 . 1 . . . . 76 ALA H . 26025 1 864 . 1 1 76 76 ALA HA H 1 3.958 0.009 . 1 . . . . 76 ALA HA . 26025 1 865 . 1 1 76 76 ALA HB1 H 1 1.258 0.006 . 1 . . . . 76 ALA HB1 . 26025 1 866 . 1 1 76 76 ALA HB2 H 1 1.258 0.006 . 1 . . . . 76 ALA HB2 . 26025 1 867 . 1 1 76 76 ALA HB3 H 1 1.258 0.006 . 1 . . . . 76 ALA HB3 . 26025 1 868 . 1 1 76 76 ALA C C 13 177.328 0.5 . 1 . . . . 76 ALA C . 26025 1 869 . 1 1 76 76 ALA CA C 13 53.152 0.022 . 1 . . . . 76 ALA CA . 26025 1 870 . 1 1 76 76 ALA CB C 13 18.939 0.041 . 1 . . . . 76 ALA CB . 26025 1 871 . 1 1 76 76 ALA N N 15 114.161 0.112 . 1 . . . . 76 ALA N . 26025 1 872 . 1 1 77 77 SER H H 1 7.751 0.004 . 1 . . . . 77 SER H . 26025 1 873 . 1 1 77 77 SER HA H 1 4.442 0.004 . 1 . . . . 77 SER HA . 26025 1 874 . 1 1 77 77 SER HB2 H 1 4.220 0.014 . 2 . . . . 77 SER HB2 . 26025 1 875 . 1 1 77 77 SER HB3 H 1 4.229 0.04 . 2 . . . . 77 SER HB3 . 26025 1 876 . 1 1 77 77 SER C C 13 175.203 0.5 . 1 . . . . 77 SER C . 26025 1 877 . 1 1 77 77 SER CA C 13 60.574 0.074 . 1 . . . . 77 SER CA . 26025 1 878 . 1 1 77 77 SER CB C 13 65.307 0.155 . 1 . . . . 77 SER CB . 26025 1 879 . 1 1 77 77 SER N N 15 112.097 0.034 . 1 . . . . 77 SER N . 26025 1 880 . 1 1 78 78 ASP H H 1 7.613 0.004 . 1 . . . . 78 ASP H . 26025 1 881 . 1 1 78 78 ASP HB2 H 1 2.766 0.006 . 2 . . . . 78 ASP HB2 . 26025 1 882 . 1 1 78 78 ASP HB3 H 1 2.589 0.008 . 2 . . . . 78 ASP HB3 . 26025 1 883 . 1 1 78 78 ASP C C 13 176.203 0.5 . 1 . . . . 78 ASP C . 26025 1 884 . 1 1 78 78 ASP CA C 13 55.587 0.5 . 1 . . . . 78 ASP CA . 26025 1 885 . 1 1 78 78 ASP CB C 13 46.578 0.026 . 1 . . . . 78 ASP CB . 26025 1 886 . 1 1 78 78 ASP N N 15 121.224 0.036 . 1 . . . . 78 ASP N . 26025 1 887 . 1 1 79 79 GLU H H 1 9.362 0.001 . 1 . . . . 79 GLU H . 26025 1 888 . 1 1 79 79 GLU HA H 1 3.999 0.006 . 1 . . . . 79 GLU HA . 26025 1 889 . 1 1 79 79 GLU HB2 H 1 2.159 0.023 . 2 . . . . 79 GLU HB2 . 26025 1 890 . 1 1 79 79 GLU HB3 H 1 2.156 0.024 . 2 . . . . 79 GLU HB3 . 26025 1 891 . 1 1 79 79 GLU HG2 H 1 2.380 0.009 . 2 . . . . 79 GLU HG2 . 26025 1 892 . 1 1 79 79 GLU HG3 H 1 2.379 0.008 . 2 . . . . 79 GLU HG3 . 26025 1 893 . 1 1 79 79 GLU C C 13 178.050 0.5 . 1 . . . . 79 GLU C . 26025 1 894 . 1 1 79 79 GLU CA C 13 59.969 0.111 . 1 . . . . 79 GLU CA . 26025 1 895 . 1 1 79 79 GLU CB C 13 30.085 0.099 . 1 . . . . 79 GLU CB . 26025 1 896 . 1 1 79 79 GLU CG C 13 34.767 0.179 . 1 . . . . 79 GLU CG . 26025 1 897 . 1 1 79 79 GLU N N 15 128.933 0.025 . 1 . . . . 79 GLU N . 26025 1 898 . 1 1 80 80 GLN H H 1 9.871 0.002 . 1 . . . . 80 GLN H . 26025 1 899 . 1 1 80 80 GLN HA H 1 3.989 0.018 . 1 . . . . 80 GLN HA . 26025 1 900 . 1 1 80 80 GLN HB2 H 1 1.606 0.019 . 2 . . . . 80 GLN HB2 . 26025 1 901 . 1 1 80 80 GLN HB3 H 1 1.293 0.014 . 2 . . . . 80 GLN HB3 . 26025 1 902 . 1 1 80 80 GLN HG2 H 1 1.965 0.04 . 2 . . . . 80 GLN HG2 . 26025 1 903 . 1 1 80 80 GLN HG3 H 1 2.048 0.005 . 2 . . . . 80 GLN HG3 . 26025 1 904 . 1 1 80 80 GLN HE21 H 1 7.259 0.006 . 1 . . . . 80 GLN HE21 . 26025 1 905 . 1 1 80 80 GLN HE22 H 1 6.804 0.011 . 1 . . . . 80 GLN HE22 . 26025 1 906 . 1 1 80 80 GLN C C 13 180.677 0.5 . 1 . . . . 80 GLN C . 26025 1 907 . 1 1 80 80 GLN CA C 13 59.165 0.139 . 1 . . . . 80 GLN CA . 26025 1 908 . 1 1 80 80 GLN CB C 13 28.013 0.188 . 1 . . . . 80 GLN CB . 26025 1 909 . 1 1 80 80 GLN CD C 13 180.705 0.5 . 1 . . . . 80 GLN CD . 26025 1 910 . 1 1 80 80 GLN N N 15 118.964 0.046 . 1 . . . . 80 GLN N . 26025 1 911 . 1 1 80 80 GLN NE2 N 15 111.256 0.115 . 1 . . . . 80 GLN NE2 . 26025 1 912 . 1 1 81 81 TYR H H 1 7.644 0.004 . 1 . . . . 81 TYR H . 26025 1 913 . 1 1 81 81 TYR HA H 1 4.296 0.009 . 1 . . . . 81 TYR HA . 26025 1 914 . 1 1 81 81 TYR HB2 H 1 4.107 0.007 . 2 . . . . 81 TYR HB2 . 26025 1 915 . 1 1 81 81 TYR HB3 H 1 2.885 0.016 . 2 . . . . 81 TYR HB3 . 26025 1 916 . 1 1 81 81 TYR HD1 H 1 7.134 0.022 . 3 . . . . 81 TYR HD1 . 26025 1 917 . 1 1 81 81 TYR HD2 H 1 7.134 0.022 . 3 . . . . 81 TYR HD2 . 26025 1 918 . 1 1 81 81 TYR HE1 H 1 6.724 0.006 . 3 . . . . 81 TYR HE1 . 26025 1 919 . 1 1 81 81 TYR HE2 H 1 6.724 0.006 . 3 . . . . 81 TYR HE2 . 26025 1 920 . 1 1 81 81 TYR C C 13 178.676 0.5 . 1 . . . . 81 TYR C . 26025 1 921 . 1 1 81 81 TYR CA C 13 61.380 0.151 . 1 . . . . 81 TYR CA . 26025 1 922 . 1 1 81 81 TYR CB C 13 39.100 0.054 . 1 . . . . 81 TYR CB . 26025 1 923 . 1 1 81 81 TYR CD1 C 13 132.756 0.162 . 3 . . . . 81 TYR CD1 . 26025 1 924 . 1 1 81 81 TYR CD2 C 13 132.756 0.162 . 3 . . . . 81 TYR CD2 . 26025 1 925 . 1 1 81 81 TYR CE1 C 13 118.936 0.104 . 3 . . . . 81 TYR CE1 . 26025 1 926 . 1 1 81 81 TYR CE2 C 13 118.936 0.104 . 3 . . . . 81 TYR CE2 . 26025 1 927 . 1 1 81 81 TYR N N 15 116.429 0.028 . 1 . . . . 81 TYR N . 26025 1 928 . 1 1 82 82 VAL H H 1 7.020 0.002 . 1 . . . . 82 VAL H . 26025 1 929 . 1 1 82 82 VAL HA H 1 3.274 0.005 . 1 . . . . 82 VAL HA . 26025 1 930 . 1 1 82 82 VAL HB H 1 2.255 0.005 . 1 . . . . 82 VAL HB . 26025 1 931 . 1 1 82 82 VAL HG11 H 1 0.964 0.005 . 2 . . . . 82 VAL HG11 . 26025 1 932 . 1 1 82 82 VAL HG12 H 1 0.964 0.005 . 2 . . . . 82 VAL HG12 . 26025 1 933 . 1 1 82 82 VAL HG13 H 1 0.964 0.005 . 2 . . . . 82 VAL HG13 . 26025 1 934 . 1 1 82 82 VAL HG21 H 1 0.964 0.005 . 2 . . . . 82 VAL HG21 . 26025 1 935 . 1 1 82 82 VAL HG22 H 1 0.964 0.005 . 2 . . . . 82 VAL HG22 . 26025 1 936 . 1 1 82 82 VAL HG23 H 1 0.964 0.005 . 2 . . . . 82 VAL HG23 . 26025 1 937 . 1 1 82 82 VAL C C 13 178.603 0.5 . 1 . . . . 82 VAL C . 26025 1 938 . 1 1 82 82 VAL CA C 13 67.824 0.053 . 1 . . . . 82 VAL CA . 26025 1 939 . 1 1 82 82 VAL CB C 13 32.411 0.138 . 1 . . . . 82 VAL CB . 26025 1 940 . 1 1 82 82 VAL CG1 C 13 22.426 0.073 . 2 . . . . 82 VAL CG1 . 26025 1 941 . 1 1 82 82 VAL CG2 C 13 22.450 0.071 . 2 . . . . 82 VAL CG2 . 26025 1 942 . 1 1 82 82 VAL N N 15 119.453 0.022 . 1 . . . . 82 VAL N . 26025 1 943 . 1 1 83 83 ARG H H 1 8.437 0.006 . 1 . . . . 83 ARG H . 26025 1 944 . 1 1 83 83 ARG HA H 1 4.098 0.010 . 1 . . . . 83 ARG HA . 26025 1 945 . 1 1 83 83 ARG HB2 H 1 1.879 0.015 . 2 . . . . 83 ARG HB2 . 26025 1 946 . 1 1 83 83 ARG HB3 H 1 1.876 0.015 . 2 . . . . 83 ARG HB3 . 26025 1 947 . 1 1 83 83 ARG HG2 H 1 1.683 0.009 . 2 . . . . 83 ARG HG2 . 26025 1 948 . 1 1 83 83 ARG HG3 H 1 1.681 0.005 . 2 . . . . 83 ARG HG3 . 26025 1 949 . 1 1 83 83 ARG HD2 H 1 3.210 0.012 . 2 . . . . 83 ARG HD2 . 26025 1 950 . 1 1 83 83 ARG HD3 H 1 3.214 0.017 . 2 . . . . 83 ARG HD3 . 26025 1 951 . 1 1 83 83 ARG C C 13 179.306 0.5 . 1 . . . . 83 ARG C . 26025 1 952 . 1 1 83 83 ARG CA C 13 59.584 0.164 . 1 . . . . 83 ARG CA . 26025 1 953 . 1 1 83 83 ARG CB C 13 30.913 0.081 . 1 . . . . 83 ARG CB . 26025 1 954 . 1 1 83 83 ARG CG C 13 28.207 0.061 . 1 . . . . 83 ARG CG . 26025 1 955 . 1 1 83 83 ARG CD C 13 44.103 0.078 . 1 . . . . 83 ARG CD . 26025 1 956 . 1 1 83 83 ARG N N 15 118.824 0.021 . 1 . . . . 83 ARG N . 26025 1 957 . 1 1 84 84 PHE H H 1 7.950 0.006 . 1 . . . . 84 PHE H . 26025 1 958 . 1 1 84 84 PHE HA H 1 4.413 0.014 . 1 . . . . 84 PHE HA . 26025 1 959 . 1 1 84 84 PHE HB2 H 1 3.331 0.006 . 1 . . . . 84 PHE HB2 . 26025 1 960 . 1 1 84 84 PHE HB3 H 1 3.331 0.006 . 1 . . . . 84 PHE HB3 . 26025 1 961 . 1 1 84 84 PHE HD1 H 1 7.224 0.019 . 3 . . . . 84 PHE HD1 . 26025 1 962 . 1 1 84 84 PHE HD2 H 1 7.224 0.019 . 3 . . . . 84 PHE HD2 . 26025 1 963 . 1 1 84 84 PHE HE1 H 1 7.363 0.04 . 3 . . . . 84 PHE HE1 . 26025 1 964 . 1 1 84 84 PHE HE2 H 1 7.363 0.04 . 3 . . . . 84 PHE HE2 . 26025 1 965 . 1 1 84 84 PHE C C 13 179.027 0.5 . 1 . . . . 84 PHE C . 26025 1 966 . 1 1 84 84 PHE CA C 13 62.475 0.131 . 1 . . . . 84 PHE CA . 26025 1 967 . 1 1 84 84 PHE CB C 13 40.117 0.164 . 1 . . . . 84 PHE CB . 26025 1 968 . 1 1 84 84 PHE CD1 C 13 131.010 0.5 . 3 . . . . 84 PHE CD1 . 26025 1 969 . 1 1 84 84 PHE CD2 C 13 131.010 0.5 . 3 . . . . 84 PHE CD2 . 26025 1 970 . 1 1 84 84 PHE CE1 C 13 131.953 0.5 . 3 . . . . 84 PHE CE1 . 26025 1 971 . 1 1 84 84 PHE CE2 C 13 131.953 0.5 . 3 . . . . 84 PHE CE2 . 26025 1 972 . 1 1 84 84 PHE N N 15 120.494 0.111 . 1 . . . . 84 PHE N . 26025 1 973 . 1 1 85 85 ILE H H 1 8.602 0.012 . 1 . . . . 85 ILE H . 26025 1 974 . 1 1 85 85 ILE HA H 1 3.948 0.004 . 1 . . . . 85 ILE HA . 26025 1 975 . 1 1 85 85 ILE HB H 1 2.164 0.016 . 1 . . . . 85 ILE HB . 26025 1 976 . 1 1 85 85 ILE HG12 H 1 1.522 0.003 . 1 . . . . 85 ILE HG12 . 26025 1 977 . 1 1 85 85 ILE HG13 H 1 1.523 0.002 . 1 . . . . 85 ILE HG13 . 26025 1 978 . 1 1 85 85 ILE HG21 H 1 0.966 0.006 . 1 . . . . 85 ILE HG21 . 26025 1 979 . 1 1 85 85 ILE HG22 H 1 0.966 0.006 . 1 . . . . 85 ILE HG22 . 26025 1 980 . 1 1 85 85 ILE HG23 H 1 0.966 0.006 . 1 . . . . 85 ILE HG23 . 26025 1 981 . 1 1 85 85 ILE HD11 H 1 0.977 0.007 . 1 . . . . 85 ILE HD11 . 26025 1 982 . 1 1 85 85 ILE HD12 H 1 0.977 0.007 . 1 . . . . 85 ILE HD12 . 26025 1 983 . 1 1 85 85 ILE HD13 H 1 0.977 0.007 . 1 . . . . 85 ILE HD13 . 26025 1 984 . 1 1 85 85 ILE C C 13 178.118 0.5 . 1 . . . . 85 ILE C . 26025 1 985 . 1 1 85 85 ILE CA C 13 65.689 0.049 . 1 . . . . 85 ILE CA . 26025 1 986 . 1 1 85 85 ILE CB C 13 37.861 0.200 . 1 . . . . 85 ILE CB . 26025 1 987 . 1 1 85 85 ILE CG1 C 13 31.442 0.069 . 1 . . . . 85 ILE CG1 . 26025 1 988 . 1 1 85 85 ILE CG2 C 13 18.964 0.122 . 1 . . . . 85 ILE CG2 . 26025 1 989 . 1 1 85 85 ILE CD1 C 13 14.847 0.060 . 1 . . . . 85 ILE CD1 . 26025 1 990 . 1 1 85 85 ILE N N 15 121.156 0.041 . 1 . . . . 85 ILE N . 26025 1 991 . 1 1 86 86 ALA H H 1 8.685 0.004 . 1 . . . . 86 ALA H . 26025 1 992 . 1 1 86 86 ALA HA H 1 4.092 0.006 . 1 . . . . 86 ALA HA . 26025 1 993 . 1 1 86 86 ALA HB1 H 1 1.529 0.005 . 1 . . . . 86 ALA HB1 . 26025 1 994 . 1 1 86 86 ALA HB2 H 1 1.529 0.005 . 1 . . . . 86 ALA HB2 . 26025 1 995 . 1 1 86 86 ALA HB3 H 1 1.529 0.005 . 1 . . . . 86 ALA HB3 . 26025 1 996 . 1 1 86 86 ALA C C 13 179.775 0.5 . 1 . . . . 86 ALA C . 26025 1 997 . 1 1 86 86 ALA CA C 13 55.450 0.048 . 1 . . . . 86 ALA CA . 26025 1 998 . 1 1 86 86 ALA CB C 13 18.627 0.063 . 1 . . . . 86 ALA CB . 26025 1 999 . 1 1 86 86 ALA N N 15 121.569 0.035 . 1 . . . . 86 ALA N . 26025 1 1000 . 1 1 87 87 GLN H H 1 7.497 0.009 . 1 . . . . 87 GLN H . 26025 1 1001 . 1 1 87 87 GLN HA H 1 4.007 0.013 . 1 . . . . 87 GLN HA . 26025 1 1002 . 1 1 87 87 GLN HB2 H 1 1.689 0.008 . 2 . . . . 87 GLN HB2 . 26025 1 1003 . 1 1 87 87 GLN HB3 H 1 1.684 0.016 . 2 . . . . 87 GLN HB3 . 26025 1 1004 . 1 1 87 87 GLN HG2 H 1 2.266 0.008 . 2 . . . . 87 GLN HG2 . 26025 1 1005 . 1 1 87 87 GLN HG3 H 1 2.267 0.005 . 2 . . . . 87 GLN HG3 . 26025 1 1006 . 1 1 87 87 GLN C C 13 177.454 0.5 . 1 . . . . 87 GLN C . 26025 1 1007 . 1 1 87 87 GLN CA C 13 57.447 0.100 . 1 . . . . 87 GLN CA . 26025 1 1008 . 1 1 87 87 GLN CB C 13 29.474 0.039 . 1 . . . . 87 GLN CB . 26025 1 1009 . 1 1 87 87 GLN CG C 13 34.332 0.107 . 1 . . . . 87 GLN CG . 26025 1 1010 . 1 1 87 87 GLN N N 15 113.680 0.125 . 1 . . . . 87 GLN N . 26025 1 1011 . 1 1 88 88 HIS H H 1 7.352 0.003 . 1 . . . . 88 HIS H . 26025 1 1012 . 1 1 88 88 HIS HA H 1 4.267 0.004 . 1 . . . . 88 HIS HA . 26025 1 1013 . 1 1 88 88 HIS HB2 H 1 2.415 0.007 . 2 . . . . 88 HIS HB2 . 26025 1 1014 . 1 1 88 88 HIS HB3 H 1 2.124 0.017 . 2 . . . . 88 HIS HB3 . 26025 1 1015 . 1 1 88 88 HIS HD2 H 1 6.282 0.014 . 1 . . . . 88 HIS HD2 . 26025 1 1016 . 1 1 88 88 HIS C C 13 174.428 0.5 . 1 . . . . 88 HIS C . 26025 1 1017 . 1 1 88 88 HIS CA C 13 58.226 0.071 . 1 . . . . 88 HIS CA . 26025 1 1018 . 1 1 88 88 HIS CB C 13 32.581 0.059 . 1 . . . . 88 HIS CB . 26025 1 1019 . 1 1 88 88 HIS CD2 C 13 122.265 0.049 . 1 . . . . 88 HIS CD2 . 26025 1 1020 . 1 1 88 88 HIS N N 15 114.365 0.028 . 1 . . . . 88 HIS N . 26025 1 1021 . 1 1 89 89 PHE H H 1 8.261 0.004 . 1 . . . . 89 PHE H . 26025 1 1022 . 1 1 89 89 PHE HA H 1 5.019 0.007 . 1 . . . . 89 PHE HA . 26025 1 1023 . 1 1 89 89 PHE HB2 H 1 3.005 0.008 . 2 . . . . 89 PHE HB2 . 26025 1 1024 . 1 1 89 89 PHE HB3 H 1 2.947 0.037 . 2 . . . . 89 PHE HB3 . 26025 1 1025 . 1 1 89 89 PHE HD1 H 1 7.489 0.010 . 3 . . . . 89 PHE HD1 . 26025 1 1026 . 1 1 89 89 PHE HD2 H 1 7.489 0.010 . 3 . . . . 89 PHE HD2 . 26025 1 1027 . 1 1 89 89 PHE HE1 H 1 7.322 0.019 . 3 . . . . 89 PHE HE1 . 26025 1 1028 . 1 1 89 89 PHE HE2 H 1 7.322 0.019 . 3 . . . . 89 PHE HE2 . 26025 1 1029 . 1 1 89 89 PHE CA C 13 56.547 0.096 . 1 . . . . 89 PHE CA . 26025 1 1030 . 1 1 89 89 PHE CB C 13 40.386 0.134 . 1 . . . . 89 PHE CB . 26025 1 1031 . 1 1 89 89 PHE CD1 C 13 133.047 0.081 . 3 . . . . 89 PHE CD1 . 26025 1 1032 . 1 1 89 89 PHE CD2 C 13 133.047 0.081 . 3 . . . . 89 PHE CD2 . 26025 1 1033 . 1 1 89 89 PHE CE1 C 13 132.098 0.5 . 3 . . . . 89 PHE CE1 . 26025 1 1034 . 1 1 89 89 PHE CE2 C 13 132.098 0.5 . 3 . . . . 89 PHE CE2 . 26025 1 1035 . 1 1 89 89 PHE N N 15 118.225 0.078 . 1 . . . . 89 PHE N . 26025 1 1036 . 1 1 90 90 PRO HA H 1 4.612 0.012 . 1 . . . . 90 PRO HA . 26025 1 1037 . 1 1 90 90 PRO HB2 H 1 2.314 0.012 . 2 . . . . 90 PRO HB2 . 26025 1 1038 . 1 1 90 90 PRO HB3 H 1 2.315 0.011 . 2 . . . . 90 PRO HB3 . 26025 1 1039 . 1 1 90 90 PRO HG2 H 1 2.041 0.005 . 2 . . . . 90 PRO HG2 . 26025 1 1040 . 1 1 90 90 PRO HG3 H 1 2.040 0.006 . 2 . . . . 90 PRO HG3 . 26025 1 1041 . 1 1 90 90 PRO HD2 H 1 3.816 0.021 . 2 . . . . 90 PRO HD2 . 26025 1 1042 . 1 1 90 90 PRO HD3 H 1 3.648 0.017 . 2 . . . . 90 PRO HD3 . 26025 1 1043 . 1 1 90 90 PRO C C 13 177.404 0.5 . 1 . . . . 90 PRO C . 26025 1 1044 . 1 1 90 90 PRO CA C 13 62.832 0.061 . 1 . . . . 90 PRO CA . 26025 1 1045 . 1 1 90 90 PRO CB C 13 32.774 0.068 . 1 . . . . 90 PRO CB . 26025 1 1046 . 1 1 90 90 PRO CG C 13 28.152 0.115 . 1 . . . . 90 PRO CG . 26025 1 1047 . 1 1 90 90 PRO CD C 13 51.235 0.051 . 1 . . . . 90 PRO CD . 26025 1 1048 . 1 1 91 91 CYS H H 1 8.668 0.002 . 1 . . . . 91 CYS H . 26025 1 1049 . 1 1 91 91 CYS HA H 1 3.938 0.020 . 1 . . . . 91 CYS HA . 26025 1 1050 . 1 1 91 91 CYS HB2 H 1 2.964 0.011 . 2 . . . . 91 CYS HB2 . 26025 1 1051 . 1 1 91 91 CYS HB3 H 1 2.813 0.007 . 2 . . . . 91 CYS HB3 . 26025 1 1052 . 1 1 91 91 CYS C C 13 174.732 0.5 . 1 . . . . 91 CYS C . 26025 1 1053 . 1 1 91 91 CYS CA C 13 60.066 0.155 . 1 . . . . 91 CYS CA . 26025 1 1054 . 1 1 91 91 CYS CB C 13 28.612 0.067 . 1 . . . . 91 CYS CB . 26025 1 1055 . 1 1 91 91 CYS N N 15 117.408 0.019 . 1 . . . . 91 CYS N . 26025 1 1056 . 1 1 92 92 ALA H H 1 7.941 0.002 . 1 . . . . 92 ALA H . 26025 1 1057 . 1 1 92 92 ALA HA H 1 4.584 0.010 . 1 . . . . 92 ALA HA . 26025 1 1058 . 1 1 92 92 ALA HB1 H 1 1.420 0.013 . 1 . . . . 92 ALA HB1 . 26025 1 1059 . 1 1 92 92 ALA HB2 H 1 1.420 0.013 . 1 . . . . 92 ALA HB2 . 26025 1 1060 . 1 1 92 92 ALA HB3 H 1 1.420 0.013 . 1 . . . . 92 ALA HB3 . 26025 1 1061 . 1 1 92 92 ALA CA C 13 51.218 0.098 . 1 . . . . 92 ALA CA . 26025 1 1062 . 1 1 92 92 ALA CB C 13 18.776 0.133 . 1 . . . . 92 ALA CB . 26025 1 1063 . 1 1 92 92 ALA N N 15 127.443 0.013 . 1 . . . . 92 ALA N . 26025 1 1064 . 1 1 93 93 PRO HA H 1 4.433 0.005 . 1 . . . . 93 PRO HA . 26025 1 1065 . 1 1 93 93 PRO HB2 H 1 2.316 0.007 . 2 . . . . 93 PRO HB2 . 26025 1 1066 . 1 1 93 93 PRO HB3 H 1 1.917 0.014 . 2 . . . . 93 PRO HB3 . 26025 1 1067 . 1 1 93 93 PRO HG2 H 1 2.040 0.003 . 2 . . . . 93 PRO HG2 . 26025 1 1068 . 1 1 93 93 PRO HG3 H 1 2.039 0.004 . 2 . . . . 93 PRO HG3 . 26025 1 1069 . 1 1 93 93 PRO HD2 H 1 3.826 0.007 . 2 . . . . 93 PRO HD2 . 26025 1 1070 . 1 1 93 93 PRO HD3 H 1 3.657 0.008 . 2 . . . . 93 PRO HD3 . 26025 1 1071 . 1 1 93 93 PRO C C 13 177.413 0.5 . 1 . . . . 93 PRO C . 26025 1 1072 . 1 1 93 93 PRO CA C 13 63.575 0.051 . 1 . . . . 93 PRO CA . 26025 1 1073 . 1 1 93 93 PRO CB C 13 32.487 0.163 . 1 . . . . 93 PRO CB . 26025 1 1074 . 1 1 93 93 PRO CG C 13 28.032 0.050 . 1 . . . . 93 PRO CG . 26025 1 1075 . 1 1 93 93 PRO CD C 13 51.205 0.028 . 1 . . . . 93 PRO CD . 26025 1 1076 . 1 1 94 94 GLU H H 1 8.597 0.007 . 1 . . . . 94 GLU H . 26025 1 1077 . 1 1 94 94 GLU HA H 1 4.259 0.015 . 1 . . . . 94 GLU HA . 26025 1 1078 . 1 1 94 94 GLU HB2 H 1 2.121 0.013 . 2 . . . . 94 GLU HB2 . 26025 1 1079 . 1 1 94 94 GLU HB3 H 1 1.927 0.010 . 2 . . . . 94 GLU HB3 . 26025 1 1080 . 1 1 94 94 GLU HG2 H 1 2.273 0.007 . 2 . . . . 94 GLU HG2 . 26025 1 1081 . 1 1 94 94 GLU HG3 H 1 2.280 0.017 . 2 . . . . 94 GLU HG3 . 26025 1 1082 . 1 1 94 94 GLU C C 13 177.089 0.5 . 1 . . . . 94 GLU C . 26025 1 1083 . 1 1 94 94 GLU CA C 13 56.990 0.156 . 1 . . . . 94 GLU CA . 26025 1 1084 . 1 1 94 94 GLU CB C 13 30.579 0.073 . 1 . . . . 94 GLU CB . 26025 1 1085 . 1 1 94 94 GLU CG C 13 37.068 0.071 . 1 . . . . 94 GLU CG . 26025 1 1086 . 1 1 94 94 GLU N N 15 121.191 0.041 . 1 . . . . 94 GLU N . 26025 1 1087 . 1 1 95 95 GLU H H 1 8.479 0.014 . 1 . . . . 95 GLU H . 26025 1 1088 . 1 1 95 95 GLU HA H 1 4.274 0.011 . 1 . . . . 95 GLU HA . 26025 1 1089 . 1 1 95 95 GLU HB2 H 1 2.048 0.006 . 2 . . . . 95 GLU HB2 . 26025 1 1090 . 1 1 95 95 GLU HB3 H 1 1.929 0.012 . 2 . . . . 95 GLU HB3 . 26025 1 1091 . 1 1 95 95 GLU HG2 H 1 2.274 0.007 . 2 . . . . 95 GLU HG2 . 26025 1 1092 . 1 1 95 95 GLU HG3 H 1 2.272 0.005 . 2 . . . . 95 GLU HG3 . 26025 1 1093 . 1 1 95 95 GLU C C 13 176.726 0.5 . 1 . . . . 95 GLU C . 26025 1 1094 . 1 1 95 95 GLU CA C 13 57.086 0.093 . 1 . . . . 95 GLU CA . 26025 1 1095 . 1 1 95 95 GLU CB C 13 31.119 0.085 . 1 . . . . 95 GLU CB . 26025 1 1096 . 1 1 95 95 GLU CG C 13 37.074 0.111 . 1 . . . . 95 GLU CG . 26025 1 1097 . 1 1 95 95 GLU N N 15 122.064 0.092 . 1 . . . . 95 GLU N . 26025 1 1098 . 1 1 96 96 GLU H H 1 8.467 0.011 . 1 . . . . 96 GLU H . 26025 1 1099 . 1 1 96 96 GLU HA H 1 4.278 0.008 . 1 . . . . 96 GLU HA . 26025 1 1100 . 1 1 96 96 GLU HB2 H 1 2.056 0.018 . 2 . . . . 96 GLU HB2 . 26025 1 1101 . 1 1 96 96 GLU HB3 H 1 1.921 0.007 . 2 . . . . 96 GLU HB3 . 26025 1 1102 . 1 1 96 96 GLU HG2 H 1 2.272 0.009 . 2 . . . . 96 GLU HG2 . 26025 1 1103 . 1 1 96 96 GLU HG3 H 1 2.274 0.007 . 2 . . . . 96 GLU HG3 . 26025 1 1104 . 1 1 96 96 GLU C C 13 177.123 0.5 . 1 . . . . 96 GLU C . 26025 1 1105 . 1 1 96 96 GLU CA C 13 57.061 0.104 . 1 . . . . 96 GLU CA . 26025 1 1106 . 1 1 96 96 GLU CB C 13 30.202 0.124 . 1 . . . . 96 GLU CB . 26025 1 1107 . 1 1 96 96 GLU CG C 13 37.107 0.134 . 1 . . . . 96 GLU CG . 26025 1 1108 . 1 1 96 96 GLU N N 15 122.691 0.023 . 1 . . . . 96 GLU N . 26025 1 1109 . 1 1 97 97 LYS H H 1 8.164 0.018 . 1 . . . . 97 LYS H . 26025 1 1110 . 1 1 97 97 LYS HA H 1 4.149 0.008 . 1 . . . . 97 LYS HA . 26025 1 1111 . 1 1 97 97 LYS HB2 H 1 1.861 0.005 . 1 . . . . 97 LYS HB2 . 26025 1 1112 . 1 1 97 97 LYS HB3 H 1 1.861 0.005 . 1 . . . . 97 LYS HB3 . 26025 1 1113 . 1 1 97 97 LYS HG2 H 1 1.203 0.005 . 1 . . . . 97 LYS HG2 . 26025 1 1114 . 1 1 97 97 LYS HG3 H 1 1.203 0.005 . 1 . . . . 97 LYS HG3 . 26025 1 1115 . 1 1 97 97 LYS HD2 H 1 1.458 0.004 . 1 . . . . 97 LYS HD2 . 26025 1 1116 . 1 1 97 97 LYS HD3 H 1 1.458 0.004 . 1 . . . . 97 LYS HD3 . 26025 1 1117 . 1 1 97 97 LYS CA C 13 60.971 0.5 . 1 . . . . 97 LYS CA . 26025 1 1118 . 1 1 97 97 LYS CB C 13 39.562 0.030 . 1 . . . . 97 LYS CB . 26025 1 1119 . 1 1 97 97 LYS CG C 13 27.784 0.141 . 1 . . . . 97 LYS CG . 26025 1 1120 . 1 1 97 97 LYS CD C 13 27.856 0.085 . 1 . . . . 97 LYS CD . 26025 1 1121 . 1 1 97 97 LYS N N 15 121.659 0.013 . 1 . . . . 97 LYS N . 26025 1 1122 . 1 1 99 99 PRO HA H 1 4.427 0.009 . 1 . . . . 99 PRO HA . 26025 1 1123 . 1 1 99 99 PRO HB2 H 1 2.312 0.011 . 2 . . . . 99 PRO HB2 . 26025 1 1124 . 1 1 99 99 PRO HB3 H 1 1.904 0.011 . 2 . . . . 99 PRO HB3 . 26025 1 1125 . 1 1 99 99 PRO HG2 H 1 2.039 0.005 . 2 . . . . 99 PRO HG2 . 26025 1 1126 . 1 1 99 99 PRO HG3 H 1 2.040 0.004 . 2 . . . . 99 PRO HG3 . 26025 1 1127 . 1 1 99 99 PRO HD2 H 1 3.825 0.008 . 2 . . . . 99 PRO HD2 . 26025 1 1128 . 1 1 99 99 PRO HD3 H 1 3.656 0.009 . 2 . . . . 99 PRO HD3 . 26025 1 1129 . 1 1 99 99 PRO C C 13 177.418 0.5 . 1 . . . . 99 PRO C . 26025 1 1130 . 1 1 99 99 PRO CA C 13 63.383 0.114 . 1 . . . . 99 PRO CA . 26025 1 1131 . 1 1 99 99 PRO CB C 13 32.487 0.179 . 1 . . . . 99 PRO CB . 26025 1 1132 . 1 1 99 99 PRO CG C 13 27.986 0.054 . 1 . . . . 99 PRO CG . 26025 1 1133 . 1 1 99 99 PRO CD C 13 51.195 0.015 . 1 . . . . 99 PRO CD . 26025 1 1134 . 1 1 100 100 GLU H H 1 8.539 0.003 . 1 . . . . 100 GLU H . 26025 1 1135 . 1 1 100 100 GLU HA H 1 4.273 0.009 . 1 . . . . 100 GLU HA . 26025 1 1136 . 1 1 100 100 GLU HB2 H 1 2.051 0.010 . 2 . . . . 100 GLU HB2 . 26025 1 1137 . 1 1 100 100 GLU HB3 H 1 1.928 0.009 . 2 . . . . 100 GLU HB3 . 26025 1 1138 . 1 1 100 100 GLU HG2 H 1 2.275 0.009 . 2 . . . . 100 GLU HG2 . 26025 1 1139 . 1 1 100 100 GLU HG3 H 1 2.274 0.008 . 2 . . . . 100 GLU HG3 . 26025 1 1140 . 1 1 100 100 GLU C C 13 177.118 0.5 . 1 . . . . 100 GLU C . 26025 1 1141 . 1 1 100 100 GLU CA C 13 56.489 0.081 . 1 . . . . 100 GLU CA . 26025 1 1142 . 1 1 100 100 GLU CB C 13 30.880 0.140 . 1 . . . . 100 GLU CB . 26025 1 1143 . 1 1 100 100 GLU CG C 13 36.917 0.063 . 1 . . . . 100 GLU CG . 26025 1 1144 . 1 1 100 100 GLU N N 15 121.164 0.044 . 1 . . . . 100 GLU N . 26025 1 1145 . 1 1 101 101 ILE H H 1 8.158 0.003 . 1 . . . . 101 ILE H . 26025 1 1146 . 1 1 101 101 ILE HA H 1 4.157 0.018 . 1 . . . . 101 ILE HA . 26025 1 1147 . 1 1 101 101 ILE HB H 1 1.861 0.006 . 1 . . . . 101 ILE HB . 26025 1 1148 . 1 1 101 101 ILE HG12 H 1 1.455 0.003 . 2 . . . . 101 ILE HG12 . 26025 1 1149 . 1 1 101 101 ILE HG13 H 1 1.188 0.026 . 2 . . . . 101 ILE HG13 . 26025 1 1150 . 1 1 101 101 ILE HG21 H 1 0.902 0.015 . 1 . . . . 101 ILE HG21 . 26025 1 1151 . 1 1 101 101 ILE HG22 H 1 0.902 0.015 . 1 . . . . 101 ILE HG22 . 26025 1 1152 . 1 1 101 101 ILE HG23 H 1 0.902 0.015 . 1 . . . . 101 ILE HG23 . 26025 1 1153 . 1 1 101 101 ILE HD11 H 1 0.860 0.016 . 1 . . . . 101 ILE HD11 . 26025 1 1154 . 1 1 101 101 ILE HD12 H 1 0.860 0.016 . 1 . . . . 101 ILE HD12 . 26025 1 1155 . 1 1 101 101 ILE HD13 H 1 0.860 0.016 . 1 . . . . 101 ILE HD13 . 26025 1 1156 . 1 1 101 101 ILE C C 13 176.514 0.5 . 1 . . . . 101 ILE C . 26025 1 1157 . 1 1 101 101 ILE CA C 13 61.718 0.158 . 1 . . . . 101 ILE CA . 26025 1 1158 . 1 1 101 101 ILE CB C 13 39.379 0.144 . 1 . . . . 101 ILE CB . 26025 1 1159 . 1 1 101 101 ILE CG1 C 13 27.805 0.095 . 1 . . . . 101 ILE CG1 . 26025 1 1160 . 1 1 101 101 ILE CG2 C 13 18.253 0.076 . 1 . . . . 101 ILE CG2 . 26025 1 1161 . 1 1 101 101 ILE CD1 C 13 13.608 0.115 . 1 . . . . 101 ILE CD1 . 26025 1 1162 . 1 1 101 101 ILE N N 15 121.658 0.012 . 1 . . . . 101 ILE N . 26025 1 1163 . 1 1 102 102 ASP H H 1 8.396 0.003 . 1 . . . . 102 ASP H . 26025 1 1164 . 1 1 102 102 ASP HA H 1 4.573 0.012 . 1 . . . . 102 ASP HA . 26025 1 1165 . 1 1 102 102 ASP HB2 H 1 2.700 0.014 . 2 . . . . 102 ASP HB2 . 26025 1 1166 . 1 1 102 102 ASP HB3 H 1 2.610 0.014 . 2 . . . . 102 ASP HB3 . 26025 1 1167 . 1 1 102 102 ASP C C 13 176.541 0.5 . 1 . . . . 102 ASP C . 26025 1 1168 . 1 1 102 102 ASP CA C 13 55.221 0.125 . 1 . . . . 102 ASP CA . 26025 1 1169 . 1 1 102 102 ASP CB C 13 41.896 0.143 . 1 . . . . 102 ASP CB . 26025 1 1170 . 1 1 102 102 ASP N N 15 124.346 0.050 . 1 . . . . 102 ASP N . 26025 1 1171 . 1 1 103 103 ALA H H 1 8.209 0.007 . 1 . . . . 103 ALA H . 26025 1 1172 . 1 1 103 103 ALA HA H 1 4.255 0.014 . 1 . . . . 103 ALA HA . 26025 1 1173 . 1 1 103 103 ALA HB1 H 1 1.406 0.009 . 1 . . . . 103 ALA HB1 . 26025 1 1174 . 1 1 103 103 ALA HB2 H 1 1.406 0.009 . 1 . . . . 103 ALA HB2 . 26025 1 1175 . 1 1 103 103 ALA HB3 H 1 1.406 0.009 . 1 . . . . 103 ALA HB3 . 26025 1 1176 . 1 1 103 103 ALA C C 13 178.299 0.5 . 1 . . . . 103 ALA C . 26025 1 1177 . 1 1 103 103 ALA CA C 13 53.704 0.169 . 1 . . . . 103 ALA CA . 26025 1 1178 . 1 1 103 103 ALA CB C 13 19.582 0.049 . 1 . . . . 103 ALA CB . 26025 1 1179 . 1 1 103 103 ALA N N 15 124.595 0.122 . 1 . . . . 103 ALA N . 26025 1 1180 . 1 1 104 104 LEU H H 1 8.207 0.005 . 1 . . . . 104 LEU H . 26025 1 1181 . 1 1 104 104 LEU HA H 1 4.281 0.021 . 1 . . . . 104 LEU HA . 26025 1 1182 . 1 1 104 104 LEU HB2 H 1 1.680 0.020 . 2 . . . . 104 LEU HB2 . 26025 1 1183 . 1 1 104 104 LEU HB3 H 1 1.682 0.017 . 2 . . . . 104 LEU HB3 . 26025 1 1184 . 1 1 104 104 LEU HG H 1 1.627 0.015 . 1 . . . . 104 LEU HG . 26025 1 1185 . 1 1 104 104 LEU HD11 H 1 0.928 0.013 . 2 . . . . 104 LEU HD11 . 26025 1 1186 . 1 1 104 104 LEU HD12 H 1 0.928 0.013 . 2 . . . . 104 LEU HD12 . 26025 1 1187 . 1 1 104 104 LEU HD13 H 1 0.928 0.013 . 2 . . . . 104 LEU HD13 . 26025 1 1188 . 1 1 104 104 LEU HD21 H 1 0.882 0.012 . 2 . . . . 104 LEU HD21 . 26025 1 1189 . 1 1 104 104 LEU HD22 H 1 0.882 0.012 . 2 . . . . 104 LEU HD22 . 26025 1 1190 . 1 1 104 104 LEU HD23 H 1 0.882 0.012 . 2 . . . . 104 LEU HD23 . 26025 1 1191 . 1 1 104 104 LEU C C 13 177.933 0.5 . 1 . . . . 104 LEU C . 26025 1 1192 . 1 1 104 104 LEU CA C 13 55.885 0.027 . 1 . . . . 104 LEU CA . 26025 1 1193 . 1 1 104 104 LEU CB C 13 42.834 0.116 . 1 . . . . 104 LEU CB . 26025 1 1194 . 1 1 104 104 LEU CG C 13 27.753 0.075 . 1 . . . . 104 LEU CG . 26025 1 1195 . 1 1 104 104 LEU CD1 C 13 25.493 0.151 . 2 . . . . 104 LEU CD1 . 26025 1 1196 . 1 1 104 104 LEU CD2 C 13 24.259 0.065 . 2 . . . . 104 LEU CD2 . 26025 1 1197 . 1 1 104 104 LEU N N 15 120.389 0.040 . 1 . . . . 104 LEU N . 26025 1 1198 . 1 1 105 105 GLU H H 1 8.238 0.012 . 1 . . . . 105 GLU H . 26025 1 1199 . 1 1 105 105 GLU HA H 1 4.255 0.012 . 1 . . . . 105 GLU HA . 26025 1 1200 . 1 1 105 105 GLU HB2 H 1 2.037 0.015 . 2 . . . . 105 GLU HB2 . 26025 1 1201 . 1 1 105 105 GLU HB3 H 1 1.933 0.006 . 2 . . . . 105 GLU HB3 . 26025 1 1202 . 1 1 105 105 GLU HG2 H 1 2.268 0.008 . 2 . . . . 105 GLU HG2 . 26025 1 1203 . 1 1 105 105 GLU HG3 H 1 2.270 0.006 . 2 . . . . 105 GLU HG3 . 26025 1 1204 . 1 1 105 105 GLU C C 13 176.511 0.5 . 1 . . . . 105 GLU C . 26025 1 1205 . 1 1 105 105 GLU CA C 13 56.688 0.065 . 1 . . . . 105 GLU CA . 26025 1 1206 . 1 1 105 105 GLU CB C 13 30.598 0.119 . 1 . . . . 105 GLU CB . 26025 1 1207 . 1 1 105 105 GLU CG C 13 37.129 0.174 . 1 . . . . 105 GLU CG . 26025 1 1208 . 1 1 105 105 GLU N N 15 120.807 0.074 . 1 . . . . 105 GLU N . 26025 1 1209 . 1 1 106 106 LEU H H 1 8.197 0.014 . 1 . . . . 106 LEU H . 26025 1 1210 . 1 1 106 106 LEU HA H 1 4.300 0.008 . 1 . . . . 106 LEU HA . 26025 1 1211 . 1 1 106 106 LEU HB2 H 1 1.642 0.014 . 1 . . . . 106 LEU HB2 . 26025 1 1212 . 1 1 106 106 LEU HB3 H 1 1.643 0.014 . 1 . . . . 106 LEU HB3 . 26025 1 1213 . 1 1 106 106 LEU HG H 1 1.604 0.025 . 1 . . . . 106 LEU HG . 26025 1 1214 . 1 1 106 106 LEU HD11 H 1 0.932 0.004 . 2 . . . . 106 LEU HD11 . 26025 1 1215 . 1 1 106 106 LEU HD12 H 1 0.932 0.004 . 2 . . . . 106 LEU HD12 . 26025 1 1216 . 1 1 106 106 LEU HD13 H 1 0.932 0.004 . 2 . . . . 106 LEU HD13 . 26025 1 1217 . 1 1 106 106 LEU HD21 H 1 0.870 0.015 . 2 . . . . 106 LEU HD21 . 26025 1 1218 . 1 1 106 106 LEU HD22 H 1 0.870 0.015 . 2 . . . . 106 LEU HD22 . 26025 1 1219 . 1 1 106 106 LEU HD23 H 1 0.870 0.015 . 2 . . . . 106 LEU HD23 . 26025 1 1220 . 1 1 106 106 LEU C C 13 177.946 0.5 . 1 . . . . 106 LEU C . 26025 1 1221 . 1 1 106 106 LEU CA C 13 55.780 0.091 . 1 . . . . 106 LEU CA . 26025 1 1222 . 1 1 106 106 LEU CB C 13 42.404 0.110 . 1 . . . . 106 LEU CB . 26025 1 1223 . 1 1 106 106 LEU CG C 13 27.883 0.130 . 1 . . . . 106 LEU CG . 26025 1 1224 . 1 1 106 106 LEU CD1 C 13 25.585 0.061 . 2 . . . . 106 LEU CD1 . 26025 1 1225 . 1 1 106 106 LEU CD2 C 13 24.267 0.058 . 2 . . . . 106 LEU CD2 . 26025 1 1226 . 1 1 106 106 LEU N N 15 124.025 0.013 . 1 . . . . 106 LEU N . 26025 1 1227 . 1 1 107 107 LYS H H 1 8.243 0.007 . 1 . . . . 107 LYS H . 26025 1 1228 . 1 1 107 107 LYS HA H 1 4.279 0.007 . 1 . . . . 107 LYS HA . 26025 1 1229 . 1 1 107 107 LYS HB2 H 1 2.215 0.014 . 1 . . . . 107 LYS HB2 . 26025 1 1230 . 1 1 107 107 LYS HB3 H 1 2.215 0.014 . 1 . . . . 107 LYS HB3 . 26025 1 1231 . 1 1 107 107 LYS HG2 H 1 1.984 0.04 . 1 . . . . 107 LYS HG2 . 26025 1 1232 . 1 1 107 107 LYS HG3 H 1 1.984 0.04 . 1 . . . . 107 LYS HG3 . 26025 1 1233 . 1 1 107 107 LYS CA C 13 56.923 0.111 . 1 . . . . 107 LYS CA . 26025 1 1234 . 1 1 107 107 LYS CB C 13 30.423 0.068 . 1 . . . . 107 LYS CB . 26025 1 1235 . 1 1 107 107 LYS N N 15 121.383 0.087 . 1 . . . . 107 LYS N . 26025 1 1236 . 1 1 108 108 THR C C 13 176.242 0.5 . 1 . . . . 108 THR C . 26025 1 1237 . 1 1 109 109 GLN H H 1 8.463 0.009 . 1 . . . . 109 GLN H . 26025 1 1238 . 1 1 109 109 GLN HA H 1 4.271 0.006 . 1 . . . . 109 GLN HA . 26025 1 1239 . 1 1 109 109 GLN HB2 H 1 1.959 0.019 . 2 . . . . 109 GLN HB2 . 26025 1 1240 . 1 1 109 109 GLN HB3 H 1 1.962 0.009 . 2 . . . . 109 GLN HB3 . 26025 1 1241 . 1 1 109 109 GLN HG2 H 1 2.258 0.04 . 2 . . . . 109 GLN HG2 . 26025 1 1242 . 1 1 109 109 GLN HG3 H 1 2.269 0.016 . 2 . . . . 109 GLN HG3 . 26025 1 1243 . 1 1 109 109 GLN C C 13 176.511 0.5 . 1 . . . . 109 GLN C . 26025 1 1244 . 1 1 109 109 GLN CA C 13 56.946 0.221 . 1 . . . . 109 GLN CA . 26025 1 1245 . 1 1 109 109 GLN CB C 13 30.609 0.081 . 1 . . . . 109 GLN CB . 26025 1 1246 . 1 1 109 109 GLN N N 15 122.699 0.027 . 1 . . . . 109 GLN N . 26025 1 1247 . 1 1 110 110 LYS H H 1 8.407 0.006 . 1 . . . . 110 LYS H . 26025 1 1248 . 1 1 110 110 LYS HA H 1 4.662 0.026 . 1 . . . . 110 LYS HA . 26025 1 1249 . 1 1 110 110 LYS HB2 H 1 1.726 0.004 . 1 . . . . 110 LYS HB2 . 26025 1 1250 . 1 1 110 110 LYS HB3 H 1 1.726 0.004 . 1 . . . . 110 LYS HB3 . 26025 1 1251 . 1 1 110 110 LYS HG2 H 1 1.465 0.04 . 2 . . . . 110 LYS HG2 . 26025 1 1252 . 1 1 110 110 LYS HG3 H 1 1.465 0.04 . 2 . . . . 110 LYS HG3 . 26025 1 1253 . 1 1 110 110 LYS HE2 H 1 2.661 0.04 . 2 . . . . 110 LYS HE2 . 26025 1 1254 . 1 1 110 110 LYS HE3 H 1 2.640 0.009 . 2 . . . . 110 LYS HE3 . 26025 1 1255 . 1 1 110 110 LYS CA C 13 54.472 0.200 . 1 . . . . 110 LYS CA . 26025 1 1256 . 1 1 110 110 LYS CB C 13 33.182 0.074 . 1 . . . . 110 LYS CB . 26025 1 1257 . 1 1 110 110 LYS N N 15 124.362 0.045 . 1 . . . . 110 LYS N . 26025 1 1258 . 1 1 111 111 GLY HA2 H 1 3.867 0.008 . 2 . . . . 111 GLY HA2 . 26025 1 1259 . 1 1 111 111 GLY HA3 H 1 3.862 0.007 . 2 . . . . 111 GLY HA3 . 26025 1 1260 . 1 1 111 111 GLY CA C 13 45.640 0.104 . 1 . . . . 111 GLY CA . 26025 1 1261 . 1 1 112 112 PHE H H 1 7.631 0.006 . 1 . . . . 112 PHE H . 26025 1 1262 . 1 1 112 112 PHE HA H 1 4.451 0.007 . 1 . . . . 112 PHE HA . 26025 1 1263 . 1 1 112 112 PHE HB2 H 1 3.174 0.014 . 2 . . . . 112 PHE HB2 . 26025 1 1264 . 1 1 112 112 PHE HB3 H 1 2.969 0.010 . 2 . . . . 112 PHE HB3 . 26025 1 1265 . 1 1 112 112 PHE HD1 H 1 7.312 0.04 . 3 . . . . 112 PHE HD1 . 26025 1 1266 . 1 1 112 112 PHE HD2 H 1 7.312 0.04 . 3 . . . . 112 PHE HD2 . 26025 1 1267 . 1 1 112 112 PHE HE1 H 1 7.099 0.015 . 3 . . . . 112 PHE HE1 . 26025 1 1268 . 1 1 112 112 PHE HE2 H 1 7.099 0.015 . 3 . . . . 112 PHE HE2 . 26025 1 1269 . 1 1 112 112 PHE CA C 13 59.397 0.107 . 1 . . . . 112 PHE CA . 26025 1 1270 . 1 1 112 112 PHE CB C 13 40.564 0.141 . 1 . . . . 112 PHE CB . 26025 1 1271 . 1 1 112 112 PHE CD1 C 13 132.030 0.5 . 3 . . . . 112 PHE CD1 . 26025 1 1272 . 1 1 112 112 PHE CD2 C 13 132.030 0.5 . 3 . . . . 112 PHE CD2 . 26025 1 1273 . 1 1 112 112 PHE CE1 C 13 130.297 0.123 . 3 . . . . 112 PHE CE1 . 26025 1 1274 . 1 1 112 112 PHE CE2 C 13 130.297 0.123 . 3 . . . . 112 PHE CE2 . 26025 1 1275 . 1 1 112 112 PHE N N 15 124.506 0.034 . 1 . . . . 112 PHE N . 26025 1 stop_ save_