data_26907 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26907 _Entry.Title ; Chemical shift assignments of a hydrophobin from Phanerochaete carnosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-23 _Entry.Accession_date 2016-09-23 _Entry.Last_release_date 2016-09-23 _Entry.Original_release_date 2016-09-23 _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 David Langelaan . . . . 26907 2 Steven Smith . . . . 26907 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26907 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26907 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 26907 '15N chemical shifts' 79 26907 '1H chemical shifts' 475 26907 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-04-26 . original BMRB . 26907 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26907 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28393921 _Citation.Full_citation . _Citation.Title ; Characterization of a Basidiomycota hydrophobin reveals the structural basis for a high-similarity Class I subdivision ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 45863 _Citation.Page_last 45863 _Citation.Year 2017 _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 Julie-Anne Gandier J. A. . . 26907 1 2 David Langelaan D. N. . . 26907 1 3 Amy Won A. . . . 26907 1 4 Kylie O'Donnell K. . . . 26907 1 5 Julie Grondin J. L. . . 26907 1 6 Holly Spencer H. L. . . 26907 1 7 Philip Wong P. . . . 26907 1 8 Elisabeth Tillier E. . . . 26907 1 9 Christopher Yip C. . . . 26907 1 10 Steven Smith S. P. . . 26907 1 11 Emma Master E. R. . . 26907 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26907 _Assembly.ID 1 _Assembly.Name 'hydrophobin from Phanerochaete carnosa' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12301.7867 _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 hfb4 1 $hfb4 A . yes native no no . . . 26907 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hfb4 _Entity.Sf_category entity _Entity.Sf_framecode hfb4 _Entity.Entry_ID 26907 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hfb4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KAMADIGSTPNPENAKRWAT TTTPQAPTTTVTVTETATAS SVPASDCSTGSVQCCNTVTS ASDPTAAGILGLLGVVVQGV DVLVGLTCDPITVVGAGGGS CSAQAVCCQDNSYGSLISIG CIPVTL ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12301.7867 _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 . LYS . 26907 1 2 . ALA . 26907 1 3 . MET . 26907 1 4 . ALA . 26907 1 5 . ASP . 26907 1 6 . ILE . 26907 1 7 . GLY . 26907 1 8 . SER . 26907 1 9 . THR . 26907 1 10 . PRO . 26907 1 11 . ASN . 26907 1 12 . PRO . 26907 1 13 . GLU . 26907 1 14 . ASN . 26907 1 15 . ALA . 26907 1 16 . LYS . 26907 1 17 . ARG . 26907 1 18 . TRP . 26907 1 19 . ALA . 26907 1 20 . THR . 26907 1 21 . THR . 26907 1 22 . THR . 26907 1 23 . THR . 26907 1 24 . PRO . 26907 1 25 . GLN . 26907 1 26 . ALA . 26907 1 27 . PRO . 26907 1 28 . THR . 26907 1 29 . THR . 26907 1 30 . THR . 26907 1 31 . VAL . 26907 1 32 . THR . 26907 1 33 . VAL . 26907 1 34 . THR . 26907 1 35 . GLU . 26907 1 36 . THR . 26907 1 37 . ALA . 26907 1 38 . THR . 26907 1 39 . ALA . 26907 1 40 . SER . 26907 1 41 . SER . 26907 1 42 . VAL . 26907 1 43 . PRO . 26907 1 44 . ALA . 26907 1 45 . SER . 26907 1 46 . ASP . 26907 1 47 . CYS . 26907 1 48 . SER . 26907 1 49 . THR . 26907 1 50 . GLY . 26907 1 51 . SER . 26907 1 52 . VAL . 26907 1 53 . GLN . 26907 1 54 . CYS . 26907 1 55 . CYS . 26907 1 56 . ASN . 26907 1 57 . THR . 26907 1 58 . VAL . 26907 1 59 . THR . 26907 1 60 . SER . 26907 1 61 . ALA . 26907 1 62 . SER . 26907 1 63 . ASP . 26907 1 64 . PRO . 26907 1 65 . THR . 26907 1 66 . ALA . 26907 1 67 . ALA . 26907 1 68 . GLY . 26907 1 69 . ILE . 26907 1 70 . LEU . 26907 1 71 . GLY . 26907 1 72 . LEU . 26907 1 73 . LEU . 26907 1 74 . GLY . 26907 1 75 . VAL . 26907 1 76 . VAL . 26907 1 77 . VAL . 26907 1 78 . GLN . 26907 1 79 . GLY . 26907 1 80 . VAL . 26907 1 81 . ASP . 26907 1 82 . VAL . 26907 1 83 . LEU . 26907 1 84 . VAL . 26907 1 85 . GLY . 26907 1 86 . LEU . 26907 1 87 . THR . 26907 1 88 . CYS . 26907 1 89 . ASP . 26907 1 90 . PRO . 26907 1 91 . ILE . 26907 1 92 . THR . 26907 1 93 . VAL . 26907 1 94 . VAL . 26907 1 95 . GLY . 26907 1 96 . ALA . 26907 1 97 . GLY . 26907 1 98 . GLY . 26907 1 99 . GLY . 26907 1 100 . SER . 26907 1 101 . CYS . 26907 1 102 . SER . 26907 1 103 . ALA . 26907 1 104 . GLN . 26907 1 105 . ALA . 26907 1 106 . VAL . 26907 1 107 . CYS . 26907 1 108 . CYS . 26907 1 109 . GLN . 26907 1 110 . ASP . 26907 1 111 . ASN . 26907 1 112 . SER . 26907 1 113 . TYR . 26907 1 114 . GLY . 26907 1 115 . SER . 26907 1 116 . LEU . 26907 1 117 . ILE . 26907 1 118 . SER . 26907 1 119 . ILE . 26907 1 120 . GLY . 26907 1 121 . CYS . 26907 1 122 . ILE . 26907 1 123 . PRO . 26907 1 124 . VAL . 26907 1 125 . THR . 26907 1 126 . LEU . 26907 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 . LYS 1 1 26907 1 . ALA 2 2 26907 1 . MET 3 3 26907 1 . ALA 4 4 26907 1 . ASP 5 5 26907 1 . ILE 6 6 26907 1 . GLY 7 7 26907 1 . SER 8 8 26907 1 . THR 9 9 26907 1 . PRO 10 10 26907 1 . ASN 11 11 26907 1 . PRO 12 12 26907 1 . GLU 13 13 26907 1 . ASN 14 14 26907 1 . ALA 15 15 26907 1 . LYS 16 16 26907 1 . ARG 17 17 26907 1 . TRP 18 18 26907 1 . ALA 19 19 26907 1 . THR 20 20 26907 1 . THR 21 21 26907 1 . THR 22 22 26907 1 . THR 23 23 26907 1 . PRO 24 24 26907 1 . GLN 25 25 26907 1 . ALA 26 26 26907 1 . PRO 27 27 26907 1 . THR 28 28 26907 1 . THR 29 29 26907 1 . THR 30 30 26907 1 . VAL 31 31 26907 1 . THR 32 32 26907 1 . VAL 33 33 26907 1 . THR 34 34 26907 1 . GLU 35 35 26907 1 . THR 36 36 26907 1 . ALA 37 37 26907 1 . THR 38 38 26907 1 . ALA 39 39 26907 1 . SER 40 40 26907 1 . SER 41 41 26907 1 . VAL 42 42 26907 1 . PRO 43 43 26907 1 . ALA 44 44 26907 1 . SER 45 45 26907 1 . ASP 46 46 26907 1 . CYS 47 47 26907 1 . SER 48 48 26907 1 . THR 49 49 26907 1 . GLY 50 50 26907 1 . SER 51 51 26907 1 . VAL 52 52 26907 1 . GLN 53 53 26907 1 . CYS 54 54 26907 1 . CYS 55 55 26907 1 . ASN 56 56 26907 1 . THR 57 57 26907 1 . VAL 58 58 26907 1 . THR 59 59 26907 1 . SER 60 60 26907 1 . ALA 61 61 26907 1 . SER 62 62 26907 1 . ASP 63 63 26907 1 . PRO 64 64 26907 1 . THR 65 65 26907 1 . ALA 66 66 26907 1 . ALA 67 67 26907 1 . GLY 68 68 26907 1 . ILE 69 69 26907 1 . LEU 70 70 26907 1 . GLY 71 71 26907 1 . LEU 72 72 26907 1 . LEU 73 73 26907 1 . GLY 74 74 26907 1 . VAL 75 75 26907 1 . VAL 76 76 26907 1 . VAL 77 77 26907 1 . GLN 78 78 26907 1 . GLY 79 79 26907 1 . VAL 80 80 26907 1 . ASP 81 81 26907 1 . VAL 82 82 26907 1 . LEU 83 83 26907 1 . VAL 84 84 26907 1 . GLY 85 85 26907 1 . LEU 86 86 26907 1 . THR 87 87 26907 1 . CYS 88 88 26907 1 . ASP 89 89 26907 1 . PRO 90 90 26907 1 . ILE 91 91 26907 1 . THR 92 92 26907 1 . VAL 93 93 26907 1 . VAL 94 94 26907 1 . GLY 95 95 26907 1 . ALA 96 96 26907 1 . GLY 97 97 26907 1 . GLY 98 98 26907 1 . GLY 99 99 26907 1 . SER 100 100 26907 1 . CYS 101 101 26907 1 . SER 102 102 26907 1 . ALA 103 103 26907 1 . GLN 104 104 26907 1 . ALA 105 105 26907 1 . VAL 106 106 26907 1 . CYS 107 107 26907 1 . CYS 108 108 26907 1 . GLN 109 109 26907 1 . ASP 110 110 26907 1 . ASN 111 111 26907 1 . SER 112 112 26907 1 . TYR 113 113 26907 1 . GLY 114 114 26907 1 . SER 115 115 26907 1 . LEU 116 116 26907 1 . ILE 117 117 26907 1 . SER 118 118 26907 1 . ILE 119 119 26907 1 . GLY 120 120 26907 1 . CYS 121 121 26907 1 . ILE 122 122 26907 1 . PRO 123 123 26907 1 . VAL 124 124 26907 1 . THR 125 125 26907 1 . LEU 126 126 26907 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 26907 _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 $hfb4 . 231932 organism . 'Phanerochaete carnosa' 'Phanerochaete carnosa' . . Eukaryota Fungi Phanerochaete carnosa . . . . . . . . . . . . . 26907 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 26907 _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 $hfb4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET 32' . . . 26907 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26907 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PcaHyd1 '[U-99% 13C; U-99% 15N]' . . 1 $hfb4 . . 1 . . mM . . . . 26907 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 26907 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26907 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 26907 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26907 _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 'ionic strength' 0.15 . M 26907 1 pH 8 . pH 26907 1 pressure 1 . atm 26907 1 temperature 298 . K 26907 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26907 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26907 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26907 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26907 1 'data analysis' 26907 1 'peak picking' 26907 1 processing 26907 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26907 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26907 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26907 2 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 26907 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26907 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 26907 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 26907 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26907 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26907 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.782 internal indirect 0.251449530 . . . . . 26907 1 H 1 water protons . . . . ppm 4.782 internal direct 1 . . . . . 26907 1 N 15 water protons . . . . ppm 4.782 internal indirect 0.101329118 . . . . . 26907 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26907 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26907 1 2 '3D HNCO' . . . 26907 1 3 '3D HNCACB' . . . 26907 1 4 '3D C(CO)NH' . . . 26907 1 5 '3D CBCA(CO)NH' . . . 26907 1 6 '3D HCCH-TOCSY' . . . 26907 1 7 '3D 1H-15N NOESY' . . . 26907 1 8 '3D 1H-13C NOESY aliphatic' . . . 26907 1 9 '3D 1H-13C NOESY aromatic' . . . 26907 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 $CcpNmr_Analysis . . 26907 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 43 43 PRO HA H 1 4.624 0.003 . 1 . 714 . . 43 PRO HA . 26907 1 2 . 1 1 43 43 PRO HB2 H 1 1.922 0.004 . 2 . 715 . . 43 PRO HB2 . 26907 1 3 . 1 1 43 43 PRO HB3 H 1 2.280 0.006 . 2 . 716 . . 43 PRO HB3 . 26907 1 4 . 1 1 43 43 PRO HG2 H 1 1.926 0.005 . 2 . 717 . . 43 PRO HG2 . 26907 1 5 . 1 1 43 43 PRO HG3 H 1 2.024 0.01 . 2 . 719 . . 43 PRO HG3 . 26907 1 6 . 1 1 43 43 PRO HD2 H 1 3.752 0.012 . 2 . 721 . . 43 PRO HD2 . 26907 1 7 . 1 1 43 43 PRO HD3 H 1 3.803 0.05 . 2 . 722 . . 43 PRO HD3 . 26907 1 8 . 1 1 43 43 PRO C C 13 177.949 0.009 . 1 . 376 . . 43 PRO C . 26907 1 9 . 1 1 43 43 PRO CA C 13 62.689 0.067 . 1 . 393 . . 43 PRO CA . 26907 1 10 . 1 1 43 43 PRO CB C 13 32.029 0.05 . 1 . 392 . . 43 PRO CB . 26907 1 11 . 1 1 43 43 PRO CG C 13 27.661 0.064 . 1 . 718 . . 43 PRO CG . 26907 1 12 . 1 1 43 43 PRO CD C 13 50.722 0.083 . 1 . 720 . . 43 PRO CD . 26907 1 13 . 1 1 44 44 ALA H H 1 8.559 0.004 . 1 . 105 . . 44 ALA H . 26907 1 14 . 1 1 44 44 ALA HA H 1 3.945 0.004 . 1 . 406 . . 44 ALA HA . 26907 1 15 . 1 1 44 44 ALA HB1 H 1 1.425 0.015 . 1 . 407 . . 44 ALA HB1 . 26907 1 16 . 1 1 44 44 ALA HB2 H 1 1.425 0.015 . 1 . 407 . . 44 ALA HB2 . 26907 1 17 . 1 1 44 44 ALA HB3 H 1 1.425 0.015 . 1 . 407 . . 44 ALA HB3 . 26907 1 18 . 1 1 44 44 ALA C C 13 178.742 0.007 . 1 . 375 . . 44 ALA C . 26907 1 19 . 1 1 44 44 ALA CA C 13 54.522 0.033 . 1 . 373 . . 44 ALA CA . 26907 1 20 . 1 1 44 44 ALA CB C 13 18.919 0.032 . 1 . 374 . . 44 ALA CB . 26907 1 21 . 1 1 44 44 ALA N N 15 124.904 0.012 . 1 . 106 . . 44 ALA N . 26907 1 22 . 1 1 45 45 SER H H 1 8.249 0.004 . 1 . 147 . . 45 SER H . 26907 1 23 . 1 1 45 45 SER HA H 1 4.187 0.003 . 1 . 588 . . 45 SER HA . 26907 1 24 . 1 1 45 45 SER HB2 H 1 3.822 0.003 . 2 . 589 . . 45 SER HB2 . 26907 1 25 . 1 1 45 45 SER HB3 H 1 3.961 0.007 . 2 . 590 . . 45 SER HB3 . 26907 1 26 . 1 1 45 45 SER C C 13 174.670 0.017 . 1 . 377 . . 45 SER C . 26907 1 27 . 1 1 45 45 SER CA C 13 59.435 0.074 . 1 . 378 . . 45 SER CA . 26907 1 28 . 1 1 45 45 SER CB C 13 62.967 0.042 . 1 . 379 . . 45 SER CB . 26907 1 29 . 1 1 45 45 SER N N 15 111.767 0.053 . 1 . 148 . . 45 SER N . 26907 1 30 . 1 1 46 46 ASP H H 1 8.027 0.003 . 1 . 81 . . 46 ASP H . 26907 1 31 . 1 1 46 46 ASP HB2 H 1 2.576 0.002 . 2 . 444 . . 46 ASP HB2 . 26907 1 32 . 1 1 46 46 ASP HB3 H 1 2.713 0.022 . 2 . 445 . . 46 ASP HB3 . 26907 1 33 . 1 1 46 46 ASP C C 13 176.155 0.09 . 1 . 251 . . 46 ASP C . 26907 1 34 . 1 1 46 46 ASP CA C 13 54.393 0.078 . 1 . 249 . . 46 ASP CA . 26907 1 35 . 1 1 46 46 ASP CB C 13 41.083 0.186 . 1 . 250 . . 46 ASP CB . 26907 1 36 . 1 1 46 46 ASP N N 15 121.543 0.022 . 1 . 82 . . 46 ASP N . 26907 1 37 . 1 1 47 47 CYS H H 1 8.229 0.005 . 1 . 19 . . 47 CYS H . 26907 1 38 . 1 1 47 47 CYS C C 13 178.004 0.2 . 1 . 380 . . 47 CYS C . 26907 1 39 . 1 1 47 47 CYS CA C 13 55.187 0.2 . 1 . 381 . . 47 CYS CA . 26907 1 40 . 1 1 47 47 CYS CB C 13 42.395 0.2 . 1 . 382 . . 47 CYS CB . 26907 1 41 . 1 1 47 47 CYS N N 15 123.062 0.09 . 1 . 20 . . 47 CYS N . 26907 1 42 . 1 1 50 50 GLY C C 13 173.297 0.029 . 1 . 339 . . 50 GLY C . 26907 1 43 . 1 1 50 50 GLY CA C 13 44.917 0.0 . 1 . 338 . . 50 GLY CA . 26907 1 44 . 1 1 51 51 SER H H 1 8.167 0.001 . 1 . 23 . . 51 SER H . 26907 1 45 . 1 1 51 51 SER HA H 1 4.748 0.05 . 1 . 585 . . 51 SER HA . 26907 1 46 . 1 1 51 51 SER HB2 H 1 3.752 0.004 . 2 . 586 . . 51 SER HB2 . 26907 1 47 . 1 1 51 51 SER HB3 H 1 3.862 0.006 . 2 . 587 . . 51 SER HB3 . 26907 1 48 . 1 1 51 51 SER C C 13 173.915 0.002 . 1 . 337 . . 51 SER C . 26907 1 49 . 1 1 51 51 SER CA C 13 57.668 0.04 . 1 . 335 . . 51 SER CA . 26907 1 50 . 1 1 51 51 SER CB C 13 65.157 0.028 . 1 . 336 . . 51 SER CB . 26907 1 51 . 1 1 51 51 SER N N 15 113.715 0.034 . 1 . 24 . . 51 SER N . 26907 1 52 . 1 1 52 52 VAL H H 1 8.612 0.004 . 1 . 83 . . 52 VAL H . 26907 1 53 . 1 1 52 52 VAL HA H 1 4.625 0.002 . 1 . 559 . . 52 VAL HA . 26907 1 54 . 1 1 52 52 VAL HB H 1 2.076 0.003 . 1 . 560 . . 52 VAL HB . 26907 1 55 . 1 1 52 52 VAL HG11 H 1 1.023 0.004 . 2 . 561 . . 52 VAL HG11 . 26907 1 56 . 1 1 52 52 VAL HG12 H 1 1.023 0.004 . 2 . 561 . . 52 VAL HG12 . 26907 1 57 . 1 1 52 52 VAL HG13 H 1 1.023 0.004 . 2 . 561 . . 52 VAL HG13 . 26907 1 58 . 1 1 52 52 VAL HG21 H 1 0.844 0.008 . 2 . 562 . . 52 VAL HG21 . 26907 1 59 . 1 1 52 52 VAL HG22 H 1 0.844 0.008 . 2 . 562 . . 52 VAL HG22 . 26907 1 60 . 1 1 52 52 VAL HG23 H 1 0.844 0.008 . 2 . 562 . . 52 VAL HG23 . 26907 1 61 . 1 1 52 52 VAL C C 13 175.249 0.021 . 1 . 334 . . 52 VAL C . 26907 1 62 . 1 1 52 52 VAL CA C 13 63.011 0.067 . 1 . 333 . . 52 VAL CA . 26907 1 63 . 1 1 52 52 VAL CB C 13 31.174 0.091 . 1 . 332 . . 52 VAL CB . 26907 1 64 . 1 1 52 52 VAL CG1 C 13 23.209 0.078 . 2 . 564 . . 52 VAL CG1 . 26907 1 65 . 1 1 52 52 VAL CG2 C 13 22.471 0.07 . 2 . 563 . . 52 VAL CG2 . 26907 1 66 . 1 1 52 52 VAL N N 15 125.359 0.02 . 1 . 84 . . 52 VAL N . 26907 1 67 . 1 1 53 53 GLN H H 1 9.476 0.004 . 1 . 39 . . 53 GLN H . 26907 1 68 . 1 1 53 53 GLN HA H 1 4.720 0.003 . 1 . 481 . . 53 GLN HA . 26907 1 69 . 1 1 53 53 GLN HB2 H 1 1.689 0.01 . 2 . 482 . . 53 GLN HB2 . 26907 1 70 . 1 1 53 53 GLN HB3 H 1 1.993 0.01 . 2 . 483 . . 53 GLN HB3 . 26907 1 71 . 1 1 53 53 GLN HG2 H 1 2.073 0.007 . 2 . 485 . . 53 GLN HG2 . 26907 1 72 . 1 1 53 53 GLN HG3 H 1 2.166 0.005 . 2 . 486 . . 53 GLN HG3 . 26907 1 73 . 1 1 53 53 GLN C C 13 173.399 0.014 . 1 . 331 . . 53 GLN C . 26907 1 74 . 1 1 53 53 GLN CA C 13 53.348 0.034 . 1 . 330 . . 53 GLN CA . 26907 1 75 . 1 1 53 53 GLN CB C 13 33.444 0.081 . 1 . 329 . . 53 GLN CB . 26907 1 76 . 1 1 53 53 GLN CG C 13 32.219 0.032 . 1 . 484 . . 53 GLN CG . 26907 1 77 . 1 1 53 53 GLN N N 15 126.652 0.02 . 1 . 40 . . 53 GLN N . 26907 1 78 . 1 1 54 54 CYS H H 1 9.413 0.005 . 1 . 13 . . 54 CYS H . 26907 1 79 . 1 1 54 54 CYS HA H 1 5.348 0.008 . 1 . 463 . . 54 CYS HA . 26907 1 80 . 1 1 54 54 CYS HB2 H 1 2.710 0.004 . 2 . 461 . . 54 CYS HB2 . 26907 1 81 . 1 1 54 54 CYS HB3 H 1 3.355 0.002 . 2 . 462 . . 54 CYS HB3 . 26907 1 82 . 1 1 54 54 CYS C C 13 175.446 0.023 . 1 . 328 . . 54 CYS C . 26907 1 83 . 1 1 54 54 CYS CA C 13 53.507 0.068 . 1 . 327 . . 54 CYS CA . 26907 1 84 . 1 1 54 54 CYS CB C 13 38.520 0.081 . 1 . 326 . . 54 CYS CB . 26907 1 85 . 1 1 54 54 CYS N N 15 121.344 0.034 . 1 . 14 . . 54 CYS N . 26907 1 86 . 1 1 55 55 CYS H H 1 9.517 0.005 . 1 . 21 . . 55 CYS H . 26907 1 87 . 1 1 55 55 CYS HA H 1 5.409 0.012 . 1 . 458 . . 55 CYS HA . 26907 1 88 . 1 1 55 55 CYS HB2 H 1 2.424 0.005 . 2 . 459 . . 55 CYS HB2 . 26907 1 89 . 1 1 55 55 CYS HB3 H 1 2.905 0.012 . 2 . 460 . . 55 CYS HB3 . 26907 1 90 . 1 1 55 55 CYS C C 13 173.445 0.019 . 1 . 325 . . 55 CYS C . 26907 1 91 . 1 1 55 55 CYS CA C 13 55.008 0.057 . 1 . 324 . . 55 CYS CA . 26907 1 92 . 1 1 55 55 CYS CB C 13 46.295 0.057 . 1 . 323 . . 55 CYS CB . 26907 1 93 . 1 1 55 55 CYS N N 15 127.231 0.039 . 1 . 22 . . 55 CYS N . 26907 1 94 . 1 1 56 56 ASN H H 1 8.621 0.002 . 1 . 57 . . 56 ASN H . 26907 1 95 . 1 1 56 56 ASN HA H 1 4.468 0.003 . 1 . 437 . . 56 ASN HA . 26907 1 96 . 1 1 56 56 ASN HB2 H 1 2.919 0.013 . 2 . 435 . . 56 ASN HB2 . 26907 1 97 . 1 1 56 56 ASN HB3 H 1 2.975 0.01 . 2 . 436 . . 56 ASN HB3 . 26907 1 98 . 1 1 56 56 ASN HD21 H 1 7.661 0.001 . 1 . 383 . . 56 ASN HD21 . 26907 1 99 . 1 1 56 56 ASN HD22 H 1 7.063 0.002 . 1 . 385 . . 56 ASN HD22 . 26907 1 100 . 1 1 56 56 ASN C C 13 176.036 0.042 . 1 . 322 . . 56 ASN C . 26907 1 101 . 1 1 56 56 ASN CA C 13 56.530 0.075 . 1 . 321 . . 56 ASN CA . 26907 1 102 . 1 1 56 56 ASN CB C 13 39.253 0.036 . 1 . 320 . . 56 ASN CB . 26907 1 103 . 1 1 56 56 ASN N N 15 122.320 0.013 . 1 . 58 . . 56 ASN N . 26907 1 104 . 1 1 56 56 ASN ND2 N 15 112.073 0.014 . 1 . 384 . . 56 ASN ND2 . 26907 1 105 . 1 1 57 57 THR H H 1 7.806 0.003 . 1 . 111 . . 57 THR H . 26907 1 106 . 1 1 57 57 THR HA H 1 4.549 0.002 . 1 . 428 . . 57 THR HA . 26907 1 107 . 1 1 57 57 THR HB H 1 3.882 0.008 . 1 . 427 . . 57 THR HB . 26907 1 108 . 1 1 57 57 THR HG21 H 1 1.154 0.005 . 1 . 431 . . 57 THR HG21 . 26907 1 109 . 1 1 57 57 THR HG22 H 1 1.154 0.005 . 1 . 431 . . 57 THR HG22 . 26907 1 110 . 1 1 57 57 THR HG23 H 1 1.154 0.005 . 1 . 431 . . 57 THR HG23 . 26907 1 111 . 1 1 57 57 THR C C 13 172.270 0.014 . 1 . 319 . . 57 THR C . 26907 1 112 . 1 1 57 57 THR CA C 13 61.221 0.09 . 1 . 318 . . 57 THR CA . 26907 1 113 . 1 1 57 57 THR CB C 13 72.038 0.086 . 1 . 317 . . 57 THR CB . 26907 1 114 . 1 1 57 57 THR CG2 C 13 21.627 0.104 . 1 . 426 . . 57 THR CG2 . 26907 1 115 . 1 1 57 57 THR N N 15 111.439 0.021 . 1 . 112 . . 57 THR N . 26907 1 116 . 1 1 58 58 VAL H H 1 8.499 0.002 . 1 . 55 . . 58 VAL H . 26907 1 117 . 1 1 58 58 VAL HA H 1 5.060 0.004 . 1 . 553 . . 58 VAL HA . 26907 1 118 . 1 1 58 58 VAL HB H 1 1.814 0.005 . 1 . 554 . . 58 VAL HB . 26907 1 119 . 1 1 58 58 VAL HG11 H 1 0.678 0.009 . 2 . 555 . . 58 VAL HG11 . 26907 1 120 . 1 1 58 58 VAL HG12 H 1 0.678 0.009 . 2 . 555 . . 58 VAL HG12 . 26907 1 121 . 1 1 58 58 VAL HG13 H 1 0.678 0.009 . 2 . 555 . . 58 VAL HG13 . 26907 1 122 . 1 1 58 58 VAL HG21 H 1 0.720 0.006 . 2 . 558 . . 58 VAL HG21 . 26907 1 123 . 1 1 58 58 VAL HG22 H 1 0.720 0.006 . 2 . 558 . . 58 VAL HG22 . 26907 1 124 . 1 1 58 58 VAL HG23 H 1 0.720 0.006 . 2 . 558 . . 58 VAL HG23 . 26907 1 125 . 1 1 58 58 VAL C C 13 175.080 0.018 . 1 . 316 . . 58 VAL C . 26907 1 126 . 1 1 58 58 VAL CA C 13 61.056 0.068 . 1 . 315 . . 58 VAL CA . 26907 1 127 . 1 1 58 58 VAL CB C 13 34.215 0.064 . 1 . 313 . . 58 VAL CB . 26907 1 128 . 1 1 58 58 VAL CG1 C 13 22.367 0.061 . 2 . 557 . . 58 VAL CG1 . 26907 1 129 . 1 1 58 58 VAL CG2 C 13 21.206 0.034 . 2 . 556 . . 58 VAL CG2 . 26907 1 130 . 1 1 58 58 VAL N N 15 126.164 0.031 . 1 . 56 . . 58 VAL N . 26907 1 131 . 1 1 59 59 THR H H 1 8.979 0.004 . 1 . 95 . . 59 THR H . 26907 1 132 . 1 1 59 59 THR HA H 1 4.814 0.005 . 1 . 425 . . 59 THR HA . 26907 1 133 . 1 1 59 59 THR HB H 1 4.011 0.004 . 1 . 424 . . 59 THR HB . 26907 1 134 . 1 1 59 59 THR HG21 H 1 1.019 0.011 . 1 . 423 . . 59 THR HG21 . 26907 1 135 . 1 1 59 59 THR HG22 H 1 1.019 0.011 . 1 . 423 . . 59 THR HG22 . 26907 1 136 . 1 1 59 59 THR HG23 H 1 1.019 0.011 . 1 . 423 . . 59 THR HG23 . 26907 1 137 . 1 1 59 59 THR C C 13 172.147 0.029 . 1 . 312 . . 59 THR C . 26907 1 138 . 1 1 59 59 THR CA C 13 59.140 0.031 . 1 . 311 . . 59 THR CA . 26907 1 139 . 1 1 59 59 THR CB C 13 70.298 0.088 . 1 . 314 . . 59 THR CB . 26907 1 140 . 1 1 59 59 THR CG2 C 13 18.097 0.052 . 1 . 422 . . 59 THR CG2 . 26907 1 141 . 1 1 59 59 THR N N 15 121.296 0.021 . 1 . 96 . . 59 THR N . 26907 1 142 . 1 1 60 60 SER H H 1 8.204 0.003 . 1 . 143 . . 60 SER H . 26907 1 143 . 1 1 60 60 SER HA H 1 4.814 0.05 . 1 . 579 . . 60 SER HA . 26907 1 144 . 1 1 60 60 SER HB2 H 1 3.860 0.008 . 2 . 580 . . 60 SER HB2 . 26907 1 145 . 1 1 60 60 SER HB3 H 1 4.134 0.001 . 2 . 581 . . 60 SER HB3 . 26907 1 146 . 1 1 60 60 SER C C 13 176.190 0.005 . 1 . 310 . . 60 SER C . 26907 1 147 . 1 1 60 60 SER CA C 13 58.212 0.013 . 1 . 307 . . 60 SER CA . 26907 1 148 . 1 1 60 60 SER CB C 13 64.361 0.09 . 1 . 308 . . 60 SER CB . 26907 1 149 . 1 1 60 60 SER N N 15 116.662 0.04 . 1 . 144 . . 60 SER N . 26907 1 150 . 1 1 61 61 ALA H H 1 8.658 0.006 . 1 . 89 . . 61 ALA H . 26907 1 151 . 1 1 61 61 ALA HA H 1 3.843 0.002 . 1 . 404 . . 61 ALA HA . 26907 1 152 . 1 1 61 61 ALA HB1 H 1 1.318 0.004 . 1 . 405 . . 61 ALA HB1 . 26907 1 153 . 1 1 61 61 ALA HB2 H 1 1.318 0.004 . 1 . 405 . . 61 ALA HB2 . 26907 1 154 . 1 1 61 61 ALA HB3 H 1 1.318 0.004 . 1 . 405 . . 61 ALA HB3 . 26907 1 155 . 1 1 61 61 ALA C C 13 176.371 0.039 . 1 . 309 . . 61 ALA C . 26907 1 156 . 1 1 61 61 ALA CA C 13 54.554 0.054 . 1 . 306 . . 61 ALA CA . 26907 1 157 . 1 1 61 61 ALA CB C 13 18.335 0.061 . 1 . 305 . . 61 ALA CB . 26907 1 158 . 1 1 61 61 ALA N N 15 125.244 0.029 . 1 . 90 . . 61 ALA N . 26907 1 159 . 1 1 62 62 SER H H 1 7.854 0.002 . 1 . 93 . . 62 SER H . 26907 1 160 . 1 1 62 62 SER HA H 1 4.285 0.002 . 1 . 582 . . 62 SER HA . 26907 1 161 . 1 1 62 62 SER HB2 H 1 3.825 0.008 . 2 . 583 . . 62 SER HB2 . 26907 1 162 . 1 1 62 62 SER HB3 H 1 3.968 0.007 . 2 . 584 . . 62 SER HB3 . 26907 1 163 . 1 1 62 62 SER C C 13 175.424 0.003 . 1 . 342 . . 62 SER C . 26907 1 164 . 1 1 62 62 SER CA C 13 57.972 0.078 . 1 . 340 . . 62 SER CA . 26907 1 165 . 1 1 62 62 SER CB C 13 63.554 0.094 . 1 . 341 . . 62 SER CB . 26907 1 166 . 1 1 62 62 SER N N 15 107.303 0.025 . 1 . 94 . . 62 SER N . 26907 1 167 . 1 1 63 63 ASP H H 1 7.706 0.003 . 1 . 71 . . 63 ASP H . 26907 1 168 . 1 1 63 63 ASP HA H 1 4.665 0.002 . 1 . 735 . . 63 ASP HA . 26907 1 169 . 1 1 63 63 ASP HB2 H 1 2.886 0.003 . 2 . 733 . . 63 ASP HB2 . 26907 1 170 . 1 1 63 63 ASP HB3 H 1 3.002 0.002 . 2 . 734 . . 63 ASP HB3 . 26907 1 171 . 1 1 63 63 ASP C C 13 175.091 0.2 . 1 . 345 . . 63 ASP C . 26907 1 172 . 1 1 63 63 ASP CA C 13 52.848 0.081 . 1 . 343 . . 63 ASP CA . 26907 1 173 . 1 1 63 63 ASP CB C 13 43.649 0.071 . 1 . 344 . . 63 ASP CB . 26907 1 174 . 1 1 63 63 ASP N N 15 127.697 0.043 . 1 . 72 . . 63 ASP N . 26907 1 175 . 1 1 64 64 PRO HA H 1 4.236 0.006 . 1 . 707 . . 64 PRO HA . 26907 1 176 . 1 1 64 64 PRO HB2 H 1 2.011 0.008 . 2 . 708 . . 64 PRO HB2 . 26907 1 177 . 1 1 64 64 PRO HB3 H 1 2.394 0.005 . 2 . 709 . . 64 PRO HB3 . 26907 1 178 . 1 1 64 64 PRO HG2 H 1 2.164 0.009 . 2 . 710 . . 64 PRO HG2 . 26907 1 179 . 1 1 64 64 PRO HG3 H 1 2.044 0.005 . 2 . 711 . . 64 PRO HG3 . 26907 1 180 . 1 1 64 64 PRO HD2 H 1 3.956 0.002 . 2 . 712 . . 64 PRO HD2 . 26907 1 181 . 1 1 64 64 PRO HD3 H 1 3.806 0.007 . 2 . 713 . . 64 PRO HD3 . 26907 1 182 . 1 1 64 64 PRO C C 13 179.563 0.01 . 1 . 221 . . 64 PRO C . 26907 1 183 . 1 1 64 64 PRO CA C 13 65.840 0.08 . 1 . 220 . . 64 PRO CA . 26907 1 184 . 1 1 64 64 PRO CB C 13 32.262 0.078 . 1 . 219 . . 64 PRO CB . 26907 1 185 . 1 1 64 64 PRO CG C 13 27.754 0.061 . 1 . 705 . . 64 PRO CG . 26907 1 186 . 1 1 64 64 PRO CD C 13 50.681 0.094 . 1 . 706 . . 64 PRO CD . 26907 1 187 . 1 1 65 65 THR H H 1 8.452 0.003 . 1 . 107 . . 65 THR H . 26907 1 188 . 1 1 65 65 THR HA H 1 3.987 0.004 . 1 . 421 . . 65 THR HA . 26907 1 189 . 1 1 65 65 THR HB H 1 4.131 0.003 . 1 . 420 . . 65 THR HB . 26907 1 190 . 1 1 65 65 THR HG21 H 1 1.180 0.002 . 1 . 419 . . 65 THR HG21 . 26907 1 191 . 1 1 65 65 THR HG22 H 1 1.180 0.002 . 1 . 419 . . 65 THR HG22 . 26907 1 192 . 1 1 65 65 THR HG23 H 1 1.180 0.002 . 1 . 419 . . 65 THR HG23 . 26907 1 193 . 1 1 65 65 THR C C 13 176.920 0.013 . 1 . 218 . . 65 THR C . 26907 1 194 . 1 1 65 65 THR CA C 13 66.200 0.092 . 1 . 216 . . 65 THR CA . 26907 1 195 . 1 1 65 65 THR CB C 13 67.884 0.067 . 1 . 217 . . 65 THR CB . 26907 1 196 . 1 1 65 65 THR CG2 C 13 21.660 0.004 . 1 . 418 . . 65 THR CG2 . 26907 1 197 . 1 1 65 65 THR N N 15 115.483 0.046 . 1 . 108 . . 65 THR N . 26907 1 198 . 1 1 66 66 ALA H H 1 7.746 0.002 . 1 . 97 . . 66 ALA H . 26907 1 199 . 1 1 66 66 ALA HA H 1 3.919 0.006 . 1 . 402 . . 66 ALA HA . 26907 1 200 . 1 1 66 66 ALA HB1 H 1 1.405 0.003 . 1 . 403 . . 66 ALA HB1 . 26907 1 201 . 1 1 66 66 ALA HB2 H 1 1.405 0.003 . 1 . 403 . . 66 ALA HB2 . 26907 1 202 . 1 1 66 66 ALA HB3 H 1 1.405 0.003 . 1 . 403 . . 66 ALA HB3 . 26907 1 203 . 1 1 66 66 ALA C C 13 178.438 0.005 . 1 . 215 . . 66 ALA C . 26907 1 204 . 1 1 66 66 ALA CA C 13 55.059 0.113 . 1 . 214 . . 66 ALA CA . 26907 1 205 . 1 1 66 66 ALA CB C 13 19.900 0.095 . 1 . 213 . . 66 ALA CB . 26907 1 206 . 1 1 66 66 ALA N N 15 125.061 0.019 . 1 . 98 . . 66 ALA N . 26907 1 207 . 1 1 67 67 ALA H H 1 9.309 0.003 . 1 . 113 . . 67 ALA H . 26907 1 208 . 1 1 67 67 ALA HA H 1 4.012 0.003 . 1 . 400 . . 67 ALA HA . 26907 1 209 . 1 1 67 67 ALA HB1 H 1 1.405 0.002 . 1 . 401 . . 67 ALA HB1 . 26907 1 210 . 1 1 67 67 ALA HB2 H 1 1.405 0.002 . 1 . 401 . . 67 ALA HB2 . 26907 1 211 . 1 1 67 67 ALA HB3 H 1 1.405 0.002 . 1 . 401 . . 67 ALA HB3 . 26907 1 212 . 1 1 67 67 ALA C C 13 181.771 0.006 . 1 . 212 . . 67 ALA C . 26907 1 213 . 1 1 67 67 ALA CA C 13 55.207 0.061 . 1 . 211 . . 67 ALA CA . 26907 1 214 . 1 1 67 67 ALA CB C 13 18.196 0.076 . 1 . 210 . . 67 ALA CB . 26907 1 215 . 1 1 67 67 ALA N N 15 119.729 0.023 . 1 . 114 . . 67 ALA N . 26907 1 216 . 1 1 68 68 GLY H H 1 7.958 0.002 . 1 . 127 . . 68 GLY H . 26907 1 217 . 1 1 68 68 GLY HA2 H 1 3.909 0.015 . 1 . 502 . . 68 GLY HA2 . 26907 1 218 . 1 1 68 68 GLY C C 13 176.376 0.008 . 1 . 209 . . 68 GLY C . 26907 1 219 . 1 1 68 68 GLY CA C 13 46.751 0.01 . 1 . 208 . . 68 GLY CA . 26907 1 220 . 1 1 68 68 GLY N N 15 106.114 0.02 . 1 . 128 . . 68 GLY N . 26907 1 221 . 1 1 69 69 ILE H H 1 7.348 0.003 . 1 . 103 . . 69 ILE H . 26907 1 222 . 1 1 69 69 ILE HA H 1 3.706 0.003 . 1 . 627 . . 69 ILE HA . 26907 1 223 . 1 1 69 69 ILE HB H 1 1.840 0.014 . 1 . 628 . . 69 ILE HB . 26907 1 224 . 1 1 69 69 ILE HG12 H 1 1.099 0.005 . 2 . 631 . . 69 ILE HG12 . 26907 1 225 . 1 1 69 69 ILE HG13 H 1 1.749 0.004 . 2 . 632 . . 69 ILE HG13 . 26907 1 226 . 1 1 69 69 ILE HG21 H 1 0.785 0.013 . 1 . 630 . . 69 ILE HG21 . 26907 1 227 . 1 1 69 69 ILE HG22 H 1 0.785 0.013 . 1 . 630 . . 69 ILE HG22 . 26907 1 228 . 1 1 69 69 ILE HG23 H 1 0.785 0.013 . 1 . 630 . . 69 ILE HG23 . 26907 1 229 . 1 1 69 69 ILE HD11 H 1 0.845 0.007 . 1 . 633 . . 69 ILE HD11 . 26907 1 230 . 1 1 69 69 ILE HD12 H 1 0.845 0.007 . 1 . 633 . . 69 ILE HD12 . 26907 1 231 . 1 1 69 69 ILE HD13 H 1 0.845 0.007 . 1 . 633 . . 69 ILE HD13 . 26907 1 232 . 1 1 69 69 ILE C C 13 177.768 0.007 . 1 . 207 . . 69 ILE C . 26907 1 233 . 1 1 69 69 ILE CA C 13 64.785 0.06 . 1 . 206 . . 69 ILE CA . 26907 1 234 . 1 1 69 69 ILE CB C 13 38.283 0.101 . 1 . 205 . . 69 ILE CB . 26907 1 235 . 1 1 69 69 ILE CG1 C 13 28.958 0.079 . 1 . 625 . . 69 ILE CG1 . 26907 1 236 . 1 1 69 69 ILE CG2 C 13 17.879 0.063 . 1 . 626 . . 69 ILE CG2 . 26907 1 237 . 1 1 69 69 ILE CD1 C 13 13.963 0.065 . 1 . 629 . . 69 ILE CD1 . 26907 1 238 . 1 1 69 69 ILE N N 15 124.259 0.024 . 1 . 104 . . 69 ILE N . 26907 1 239 . 1 1 70 70 LEU H H 1 8.535 0.002 . 1 . 135 . . 70 LEU H . 26907 1 240 . 1 1 70 70 LEU HA H 1 3.717 0.006 . 1 . 689 . . 70 LEU HA . 26907 1 241 . 1 1 70 70 LEU HB2 H 1 1.655 0.005 . 2 . 690 . . 70 LEU HB2 . 26907 1 242 . 1 1 70 70 LEU HB3 H 1 1.790 0.009 . 2 . 691 . . 70 LEU HB3 . 26907 1 243 . 1 1 70 70 LEU HG H 1 1.654 0.005 . 1 . 695 . . 70 LEU HG . 26907 1 244 . 1 1 70 70 LEU HD11 H 1 0.829 0.012 . 2 . 692 . . 70 LEU HD11 . 26907 1 245 . 1 1 70 70 LEU HD12 H 1 0.829 0.012 . 2 . 692 . . 70 LEU HD12 . 26907 1 246 . 1 1 70 70 LEU HD13 H 1 0.829 0.012 . 2 . 692 . . 70 LEU HD13 . 26907 1 247 . 1 1 70 70 LEU HD21 H 1 0.592 0.01 . 2 . 693 . . 70 LEU HD21 . 26907 1 248 . 1 1 70 70 LEU HD22 H 1 0.592 0.01 . 2 . 693 . . 70 LEU HD22 . 26907 1 249 . 1 1 70 70 LEU HD23 H 1 0.592 0.01 . 2 . 693 . . 70 LEU HD23 . 26907 1 250 . 1 1 70 70 LEU C C 13 179.463 0.009 . 1 . 202 . . 70 LEU C . 26907 1 251 . 1 1 70 70 LEU CA C 13 58.445 0.105 . 1 . 203 . . 70 LEU CA . 26907 1 252 . 1 1 70 70 LEU CB C 13 40.343 0.127 . 1 . 204 . . 70 LEU CB . 26907 1 253 . 1 1 70 70 LEU CG C 13 26.785 0.125 . 1 . 696 . . 70 LEU CG . 26907 1 254 . 1 1 70 70 LEU CD1 C 13 26.275 0.082 . 2 . 694 . . 70 LEU CD1 . 26907 1 255 . 1 1 70 70 LEU CD2 C 13 23.613 0.067 . 2 . 688 . . 70 LEU CD2 . 26907 1 256 . 1 1 70 70 LEU N N 15 119.369 0.017 . 1 . 136 . . 70 LEU N . 26907 1 257 . 1 1 71 71 GLY H H 1 8.203 0.001 . 1 . 15 . . 71 GLY H . 26907 1 258 . 1 1 71 71 GLY HA2 H 1 3.885 0.003 . 1 . 501 . . 71 GLY HA2 . 26907 1 259 . 1 1 71 71 GLY C C 13 176.972 0.031 . 1 . 150 . . 71 GLY C . 26907 1 260 . 1 1 71 71 GLY CA C 13 46.695 0.052 . 1 . 149 . . 71 GLY CA . 26907 1 261 . 1 1 71 71 GLY N N 15 104.896 0.024 . 1 . 16 . . 71 GLY N . 26907 1 262 . 1 1 72 72 LEU H H 1 7.601 0.002 . 1 . 129 . . 72 LEU H . 26907 1 263 . 1 1 72 72 LEU HA H 1 4.159 0.003 . 1 . 681 . . 72 LEU HA . 26907 1 264 . 1 1 72 72 LEU HB2 H 1 1.748 0.003 . 2 . 682 . . 72 LEU HB2 . 26907 1 265 . 1 1 72 72 LEU HB3 H 1 1.883 0.004 . 2 . 683 . . 72 LEU HB3 . 26907 1 266 . 1 1 72 72 LEU HG H 1 1.746 0.004 . 1 . 686 . . 72 LEU HG . 26907 1 267 . 1 1 72 72 LEU HD11 H 1 0.892 0.004 . 2 . 684 . . 72 LEU HD11 . 26907 1 268 . 1 1 72 72 LEU HD12 H 1 0.892 0.004 . 2 . 684 . . 72 LEU HD12 . 26907 1 269 . 1 1 72 72 LEU HD13 H 1 0.892 0.004 . 2 . 684 . . 72 LEU HD13 . 26907 1 270 . 1 1 72 72 LEU HD21 H 1 0.900 0.005 . 2 . 687 . . 72 LEU HD21 . 26907 1 271 . 1 1 72 72 LEU HD22 H 1 0.900 0.005 . 2 . 687 . . 72 LEU HD22 . 26907 1 272 . 1 1 72 72 LEU HD23 H 1 0.900 0.005 . 2 . 687 . . 72 LEU HD23 . 26907 1 273 . 1 1 72 72 LEU C C 13 179.502 0.029 . 1 . 151 . . 72 LEU C . 26907 1 274 . 1 1 72 72 LEU CA C 13 57.586 0.11 . 1 . 153 . . 72 LEU CA . 26907 1 275 . 1 1 72 72 LEU CB C 13 41.913 0.086 . 1 . 152 . . 72 LEU CB . 26907 1 276 . 1 1 72 72 LEU CG C 13 26.905 0.031 . 1 . 680 . . 72 LEU CG . 26907 1 277 . 1 1 72 72 LEU CD1 C 13 23.844 0.092 . 2 . 679 . . 72 LEU CD1 . 26907 1 278 . 1 1 72 72 LEU CD2 C 13 24.732 0.04 . 2 . 685 . . 72 LEU CD2 . 26907 1 279 . 1 1 72 72 LEU N N 15 124.022 0.022 . 1 . 130 . . 72 LEU N . 26907 1 280 . 1 1 73 73 LEU H H 1 7.760 0.009 . 1 . 125 . . 73 LEU H . 26907 1 281 . 1 1 73 73 LEU HA H 1 4.168 0.004 . 1 . 672 . . 73 LEU HA . 26907 1 282 . 1 1 73 73 LEU HB2 H 1 1.374 0.004 . 2 . 673 . . 73 LEU HB2 . 26907 1 283 . 1 1 73 73 LEU HB3 H 1 1.624 0.017 . 2 . 674 . . 73 LEU HB3 . 26907 1 284 . 1 1 73 73 LEU HG H 1 1.740 0.004 . 1 . 677 . . 73 LEU HG . 26907 1 285 . 1 1 73 73 LEU HD11 H 1 0.787 0.008 . 2 . 675 . . 73 LEU HD11 . 26907 1 286 . 1 1 73 73 LEU HD12 H 1 0.787 0.008 . 2 . 675 . . 73 LEU HD12 . 26907 1 287 . 1 1 73 73 LEU HD13 H 1 0.787 0.008 . 2 . 675 . . 73 LEU HD13 . 26907 1 288 . 1 1 73 73 LEU HD21 H 1 0.360 0.003 . 2 . 676 . . 73 LEU HD21 . 26907 1 289 . 1 1 73 73 LEU HD22 H 1 0.360 0.003 . 2 . 676 . . 73 LEU HD22 . 26907 1 290 . 1 1 73 73 LEU HD23 H 1 0.360 0.003 . 2 . 676 . . 73 LEU HD23 . 26907 1 291 . 1 1 73 73 LEU C C 13 177.694 0.011 . 1 . 154 . . 73 LEU C . 26907 1 292 . 1 1 73 73 LEU CA C 13 55.248 0.085 . 1 . 156 . . 73 LEU CA . 26907 1 293 . 1 1 73 73 LEU CB C 13 43.332 0.071 . 1 . 155 . . 73 LEU CB . 26907 1 294 . 1 1 73 73 LEU CG C 13 26.283 0.105 . 1 . 678 . . 73 LEU CG . 26907 1 295 . 1 1 73 73 LEU CD1 C 13 21.689 0.067 . 2 . 671 . . 73 LEU CD1 . 26907 1 296 . 1 1 73 73 LEU CD2 C 13 25.624 0.084 . 2 . 670 . . 73 LEU CD2 . 26907 1 297 . 1 1 73 73 LEU N N 15 117.192 0.032 . 1 . 126 . . 73 LEU N . 26907 1 298 . 1 1 74 74 GLY H H 1 7.862 0.004 . 1 . 27 . . 74 GLY H . 26907 1 299 . 1 1 74 74 GLY HA2 H 1 3.806 0.006 . 2 . 499 . . 74 GLY HA2 . 26907 1 300 . 1 1 74 74 GLY HA3 H 1 4.004 0.003 . 2 . 500 . . 74 GLY HA3 . 26907 1 301 . 1 1 74 74 GLY C C 13 174.448 0.01 . 1 . 157 . . 74 GLY C . 26907 1 302 . 1 1 74 74 GLY CA C 13 45.990 0.058 . 1 . 158 . . 74 GLY CA . 26907 1 303 . 1 1 74 74 GLY N N 15 108.436 0.032 . 1 . 28 . . 74 GLY N . 26907 1 304 . 1 1 75 75 VAL H H 1 7.697 0.009 . 1 . 75 . . 75 VAL H . 26907 1 305 . 1 1 75 75 VAL HA H 1 4.004 0.003 . 1 . 547 . . 75 VAL HA . 26907 1 306 . 1 1 75 75 VAL HB H 1 1.648 0.003 . 1 . 548 . . 75 VAL HB . 26907 1 307 . 1 1 75 75 VAL HG11 H 1 0.718 0.008 . 2 . 549 . . 75 VAL HG11 . 26907 1 308 . 1 1 75 75 VAL HG12 H 1 0.718 0.008 . 2 . 549 . . 75 VAL HG12 . 26907 1 309 . 1 1 75 75 VAL HG13 H 1 0.718 0.008 . 2 . 549 . . 75 VAL HG13 . 26907 1 310 . 1 1 75 75 VAL HG21 H 1 0.694 0.007 . 2 . 551 . . 75 VAL HG21 . 26907 1 311 . 1 1 75 75 VAL HG22 H 1 0.694 0.007 . 2 . 551 . . 75 VAL HG22 . 26907 1 312 . 1 1 75 75 VAL HG23 H 1 0.694 0.007 . 2 . 551 . . 75 VAL HG23 . 26907 1 313 . 1 1 75 75 VAL C C 13 174.721 0.019 . 1 . 161 . . 75 VAL C . 26907 1 314 . 1 1 75 75 VAL CA C 13 61.727 0.064 . 1 . 160 . . 75 VAL CA . 26907 1 315 . 1 1 75 75 VAL CB C 13 33.626 0.067 . 1 . 159 . . 75 VAL CB . 26907 1 316 . 1 1 75 75 VAL CG1 C 13 21.115 0.086 . 2 . 550 . . 75 VAL CG1 . 26907 1 317 . 1 1 75 75 VAL CG2 C 13 21.322 0.044 . 2 . 552 . . 75 VAL CG2 . 26907 1 318 . 1 1 75 75 VAL N N 15 120.652 0.033 . 1 . 76 . . 75 VAL N . 26907 1 319 . 1 1 76 76 VAL H H 1 8.412 0.002 . 1 . 79 . . 76 VAL H . 26907 1 320 . 1 1 76 76 VAL HA H 1 4.068 0.005 . 1 . 543 . . 76 VAL HA . 26907 1 321 . 1 1 76 76 VAL HB H 1 1.910 0.004 . 1 . 544 . . 76 VAL HB . 26907 1 322 . 1 1 76 76 VAL HG11 H 1 0.827 0.012 . 1 . 545 . . 76 VAL HG11 . 26907 1 323 . 1 1 76 76 VAL HG12 H 1 0.827 0.012 . 1 . 545 . . 76 VAL HG12 . 26907 1 324 . 1 1 76 76 VAL HG13 H 1 0.827 0.012 . 1 . 545 . . 76 VAL HG13 . 26907 1 325 . 1 1 76 76 VAL C C 13 175.919 0.021 . 1 . 164 . . 76 VAL C . 26907 1 326 . 1 1 76 76 VAL CA C 13 61.316 0.079 . 1 . 162 . . 76 VAL CA . 26907 1 327 . 1 1 76 76 VAL CB C 13 32.829 0.118 . 1 . 163 . . 76 VAL CB . 26907 1 328 . 1 1 76 76 VAL CG1 C 13 20.864 0.07 . 1 . 546 . . 76 VAL CG1 . 26907 1 329 . 1 1 76 76 VAL N N 15 127.486 0.015 . 1 . 80 . . 76 VAL N . 26907 1 330 . 1 1 77 77 VAL H H 1 8.552 0.001 . 1 . 29 . . 77 VAL H . 26907 1 331 . 1 1 77 77 VAL HA H 1 4.100 0.007 . 1 . 539 . . 77 VAL HA . 26907 1 332 . 1 1 77 77 VAL HB H 1 1.925 0.007 . 1 . 540 . . 77 VAL HB . 26907 1 333 . 1 1 77 77 VAL HG11 H 1 0.820 0.004 . 1 . 541 . . 77 VAL HG11 . 26907 1 334 . 1 1 77 77 VAL HG12 H 1 0.820 0.004 . 1 . 541 . . 77 VAL HG12 . 26907 1 335 . 1 1 77 77 VAL HG13 H 1 0.820 0.004 . 1 . 541 . . 77 VAL HG13 . 26907 1 336 . 1 1 77 77 VAL C C 13 175.791 0.016 . 1 . 165 . . 77 VAL C . 26907 1 337 . 1 1 77 77 VAL CA C 13 61.548 0.081 . 1 . 166 . . 77 VAL CA . 26907 1 338 . 1 1 77 77 VAL CB C 13 32.577 0.069 . 1 . 167 . . 77 VAL CB . 26907 1 339 . 1 1 77 77 VAL CG1 C 13 21.479 0.06 . 1 . 542 . . 77 VAL CG1 . 26907 1 340 . 1 1 77 77 VAL N N 15 126.758 0.017 . 1 . 30 . . 77 VAL N . 26907 1 341 . 1 1 78 78 GLN H H 1 8.745 0.002 . 1 . 87 . . 78 GLN H . 26907 1 342 . 1 1 78 78 GLN HA H 1 4.347 0.004 . 1 . 477 . . 78 GLN HA . 26907 1 343 . 1 1 78 78 GLN HB2 H 1 1.928 0.005 . 2 . 478 . . 78 GLN HB2 . 26907 1 344 . 1 1 78 78 GLN HB3 H 1 2.079 0.009 . 2 . 479 . . 78 GLN HB3 . 26907 1 345 . 1 1 78 78 GLN HG2 H 1 2.319 0.013 . 1 . 480 . . 78 GLN HG2 . 26907 1 346 . 1 1 78 78 GLN HE21 H 1 7.481 0.003 . 1 . 386 . . 78 GLN HE21 . 26907 1 347 . 1 1 78 78 GLN HE22 H 1 6.840 0.001 . 1 . 388 . . 78 GLN HE22 . 26907 1 348 . 1 1 78 78 GLN C C 13 175.788 0.022 . 1 . 168 . . 78 GLN C . 26907 1 349 . 1 1 78 78 GLN CA C 13 55.764 0.08 . 1 . 169 . . 78 GLN CA . 26907 1 350 . 1 1 78 78 GLN CB C 13 29.701 0.059 . 1 . 170 . . 78 GLN CB . 26907 1 351 . 1 1 78 78 GLN CG C 13 33.809 0.052 . 1 . 476 . . 78 GLN CG . 26907 1 352 . 1 1 78 78 GLN N N 15 125.288 0.025 . 1 . 88 . . 78 GLN N . 26907 1 353 . 1 1 78 78 GLN NE2 N 15 112.222 0.015 . 1 . 387 . . 78 GLN NE2 . 26907 1 354 . 1 1 79 79 GLY H H 1 8.060 0.002 . 1 . 101 . . 79 GLY H . 26907 1 355 . 1 1 79 79 GLY HA2 H 1 3.932 0.004 . 2 . 497 . . 79 GLY HA2 . 26907 1 356 . 1 1 79 79 GLY HA3 H 1 4.096 0.007 . 2 . 498 . . 79 GLY HA3 . 26907 1 357 . 1 1 79 79 GLY C C 13 173.917 0.02 . 1 . 172 . . 79 GLY C . 26907 1 358 . 1 1 79 79 GLY CA C 13 44.887 0.059 . 1 . 171 . . 79 GLY CA . 26907 1 359 . 1 1 79 79 GLY N N 15 109.261 0.043 . 1 . 102 . . 79 GLY N . 26907 1 360 . 1 1 80 80 VAL H H 1 8.208 0.003 . 1 . 109 . . 80 VAL H . 26907 1 361 . 1 1 80 80 VAL HA H 1 4.112 0.006 . 1 . 533 . . 80 VAL HA . 26907 1 362 . 1 1 80 80 VAL HB H 1 2.124 0.008 . 1 . 534 . . 80 VAL HB . 26907 1 363 . 1 1 80 80 VAL HG11 H 1 0.939 0.011 . 2 . 535 . . 80 VAL HG11 . 26907 1 364 . 1 1 80 80 VAL HG12 H 1 0.939 0.011 . 2 . 535 . . 80 VAL HG12 . 26907 1 365 . 1 1 80 80 VAL HG13 H 1 0.939 0.011 . 2 . 535 . . 80 VAL HG13 . 26907 1 366 . 1 1 80 80 VAL HG21 H 1 0.925 0.004 . 2 . 538 . . 80 VAL HG21 . 26907 1 367 . 1 1 80 80 VAL HG22 H 1 0.925 0.004 . 2 . 538 . . 80 VAL HG22 . 26907 1 368 . 1 1 80 80 VAL HG23 H 1 0.925 0.004 . 2 . 538 . . 80 VAL HG23 . 26907 1 369 . 1 1 80 80 VAL C C 13 175.908 0.011 . 1 . 175 . . 80 VAL C . 26907 1 370 . 1 1 80 80 VAL CA C 13 62.638 0.075 . 1 . 174 . . 80 VAL CA . 26907 1 371 . 1 1 80 80 VAL CB C 13 32.510 0.087 . 1 . 173 . . 80 VAL CB . 26907 1 372 . 1 1 80 80 VAL CG1 C 13 21.026 0.127 . 2 . 536 . . 80 VAL CG1 . 26907 1 373 . 1 1 80 80 VAL CG2 C 13 19.669 0.05 . 2 . 537 . . 80 VAL CG2 . 26907 1 374 . 1 1 80 80 VAL N N 15 118.270 0.024 . 1 . 110 . . 80 VAL N . 26907 1 375 . 1 1 81 81 ASP H H 1 8.608 0.002 . 1 . 51 . . 81 ASP H . 26907 1 376 . 1 1 81 81 ASP HA H 1 4.593 0.002 . 1 . 441 . . 81 ASP HA . 26907 1 377 . 1 1 81 81 ASP HB2 H 1 2.734 0.006 . 2 . 442 . . 81 ASP HB2 . 26907 1 378 . 1 1 81 81 ASP HB3 H 1 2.684 0.005 . 2 . 443 . . 81 ASP HB3 . 26907 1 379 . 1 1 81 81 ASP C C 13 175.505 0.018 . 1 . 178 . . 81 ASP C . 26907 1 380 . 1 1 81 81 ASP CA C 13 54.059 0.071 . 1 . 177 . . 81 ASP CA . 26907 1 381 . 1 1 81 81 ASP CB C 13 40.315 0.013 . 1 . 176 . . 81 ASP CB . 26907 1 382 . 1 1 81 81 ASP N N 15 120.834 0.024 . 1 . 52 . . 81 ASP N . 26907 1 383 . 1 1 82 82 VAL H H 1 7.421 0.005 . 1 . 45 . . 82 VAL H . 26907 1 384 . 1 1 82 82 VAL HA H 1 3.822 0.002 . 1 . 529 . . 82 VAL HA . 26907 1 385 . 1 1 82 82 VAL HB H 1 1.911 0.005 . 1 . 530 . . 82 VAL HB . 26907 1 386 . 1 1 82 82 VAL HG11 H 1 0.912 0.007 . 1 . 531 . . 82 VAL HG11 . 26907 1 387 . 1 1 82 82 VAL HG12 H 1 0.912 0.007 . 1 . 531 . . 82 VAL HG12 . 26907 1 388 . 1 1 82 82 VAL HG13 H 1 0.912 0.007 . 1 . 531 . . 82 VAL HG13 . 26907 1 389 . 1 1 82 82 VAL C C 13 175.166 0.005 . 1 . 181 . . 82 VAL C . 26907 1 390 . 1 1 82 82 VAL CA C 13 63.230 0.07 . 1 . 180 . . 82 VAL CA . 26907 1 391 . 1 1 82 82 VAL CB C 13 32.896 0.133 . 1 . 179 . . 82 VAL CB . 26907 1 392 . 1 1 82 82 VAL CG1 C 13 21.537 0.069 . 1 . 532 . . 82 VAL CG1 . 26907 1 393 . 1 1 82 82 VAL N N 15 120.257 0.047 . 1 . 46 . . 82 VAL N . 26907 1 394 . 1 1 83 83 LEU H H 1 8.913 0.002 . 1 . 49 . . 83 LEU H . 26907 1 395 . 1 1 83 83 LEU HA H 1 4.995 0.004 . 1 . 661 . . 83 LEU HA . 26907 1 396 . 1 1 83 83 LEU HB2 H 1 1.122 0.009 . 2 . 662 . . 83 LEU HB2 . 26907 1 397 . 1 1 83 83 LEU HB3 H 1 2.166 0.006 . 2 . 663 . . 83 LEU HB3 . 26907 1 398 . 1 1 83 83 LEU HG H 1 1.715 0.004 . 1 . 669 . . 83 LEU HG . 26907 1 399 . 1 1 83 83 LEU HD11 H 1 0.830 0.011 . 2 . 664 . . 83 LEU HD11 . 26907 1 400 . 1 1 83 83 LEU HD12 H 1 0.830 0.011 . 2 . 664 . . 83 LEU HD12 . 26907 1 401 . 1 1 83 83 LEU HD13 H 1 0.830 0.011 . 2 . 664 . . 83 LEU HD13 . 26907 1 402 . 1 1 83 83 LEU HD21 H 1 0.664 0.005 . 2 . 665 . . 83 LEU HD21 . 26907 1 403 . 1 1 83 83 LEU HD22 H 1 0.664 0.005 . 2 . 665 . . 83 LEU HD22 . 26907 1 404 . 1 1 83 83 LEU HD23 H 1 0.664 0.005 . 2 . 665 . . 83 LEU HD23 . 26907 1 405 . 1 1 83 83 LEU C C 13 178.010 0.012 . 1 . 184 . . 83 LEU C . 26907 1 406 . 1 1 83 83 LEU CA C 13 53.676 0.114 . 1 . 183 . . 83 LEU CA . 26907 1 407 . 1 1 83 83 LEU CB C 13 42.392 0.073 . 1 . 182 . . 83 LEU CB . 26907 1 408 . 1 1 83 83 LEU CG C 13 26.793 0.042 . 1 . 666 . . 83 LEU CG . 26907 1 409 . 1 1 83 83 LEU CD1 C 13 24.656 0.063 . 2 . 667 . . 83 LEU CD1 . 26907 1 410 . 1 1 83 83 LEU CD2 C 13 22.477 0.079 . 2 . 668 . . 83 LEU CD2 . 26907 1 411 . 1 1 83 83 LEU N N 15 126.650 0.021 . 1 . 50 . . 83 LEU N . 26907 1 412 . 1 1 84 84 VAL H H 1 9.478 0.004 . 1 . 85 . . 84 VAL H . 26907 1 413 . 1 1 84 84 VAL HA H 1 4.992 0.003 . 1 . 526 . . 84 VAL HA . 26907 1 414 . 1 1 84 84 VAL HB H 1 2.310 0.003 . 1 . 525 . . 84 VAL HB . 26907 1 415 . 1 1 84 84 VAL HG11 H 1 0.623 0.01 . 2 . 523 . . 84 VAL HG11 . 26907 1 416 . 1 1 84 84 VAL HG12 H 1 0.623 0.01 . 2 . 523 . . 84 VAL HG12 . 26907 1 417 . 1 1 84 84 VAL HG13 H 1 0.623 0.01 . 2 . 523 . . 84 VAL HG13 . 26907 1 418 . 1 1 84 84 VAL HG21 H 1 0.894 0.012 . 2 . 524 . . 84 VAL HG21 . 26907 1 419 . 1 1 84 84 VAL HG22 H 1 0.894 0.012 . 2 . 524 . . 84 VAL HG22 . 26907 1 420 . 1 1 84 84 VAL HG23 H 1 0.894 0.012 . 2 . 524 . . 84 VAL HG23 . 26907 1 421 . 1 1 84 84 VAL C C 13 172.860 0.031 . 1 . 187 . . 84 VAL C . 26907 1 422 . 1 1 84 84 VAL CA C 13 58.034 0.081 . 1 . 186 . . 84 VAL CA . 26907 1 423 . 1 1 84 84 VAL CB C 13 33.370 0.084 . 1 . 185 . . 84 VAL CB . 26907 1 424 . 1 1 84 84 VAL CG1 C 13 19.195 0.039 . 2 . 527 . . 84 VAL CG1 . 26907 1 425 . 1 1 84 84 VAL CG2 C 13 22.527 0.043 . 2 . 528 . . 84 VAL CG2 . 26907 1 426 . 1 1 84 84 VAL N N 15 116.789 0.048 . 1 . 86 . . 84 VAL N . 26907 1 427 . 1 1 85 85 GLY H H 1 8.987 0.004 . 1 . 91 . . 85 GLY H . 26907 1 428 . 1 1 85 85 GLY HA2 H 1 3.614 0.002 . 2 . 495 . . 85 GLY HA2 . 26907 1 429 . 1 1 85 85 GLY HA3 H 1 5.125 0.002 . 2 . 496 . . 85 GLY HA3 . 26907 1 430 . 1 1 85 85 GLY C C 13 171.905 0.009 . 1 . 189 . . 85 GLY C . 26907 1 431 . 1 1 85 85 GLY CA C 13 43.431 0.065 . 1 . 188 . . 85 GLY CA . 26907 1 432 . 1 1 85 85 GLY N N 15 110.135 0.028 . 1 . 92 . . 85 GLY N . 26907 1 433 . 1 1 86 86 LEU H H 1 8.954 0.008 . 1 . 53 . . 86 LEU H . 26907 1 434 . 1 1 86 86 LEU HA H 1 4.996 0.003 . 1 . 655 . . 86 LEU HA . 26907 1 435 . 1 1 86 86 LEU HB2 H 1 1.613 0.01 . 2 . 656 . . 86 LEU HB2 . 26907 1 436 . 1 1 86 86 LEU HB3 H 1 1.646 0.009 . 2 . 658 . . 86 LEU HB3 . 26907 1 437 . 1 1 86 86 LEU HG H 1 1.419 0.007 . 1 . 657 . . 86 LEU HG . 26907 1 438 . 1 1 86 86 LEU HD11 H 1 0.723 0.005 . 2 . 659 . . 86 LEU HD11 . 26907 1 439 . 1 1 86 86 LEU HD12 H 1 0.723 0.005 . 2 . 659 . . 86 LEU HD12 . 26907 1 440 . 1 1 86 86 LEU HD13 H 1 0.723 0.005 . 2 . 659 . . 86 LEU HD13 . 26907 1 441 . 1 1 86 86 LEU HD21 H 1 0.849 0.008 . 2 . 660 . . 86 LEU HD21 . 26907 1 442 . 1 1 86 86 LEU HD22 H 1 0.849 0.008 . 2 . 660 . . 86 LEU HD22 . 26907 1 443 . 1 1 86 86 LEU HD23 H 1 0.849 0.008 . 2 . 660 . . 86 LEU HD23 . 26907 1 444 . 1 1 86 86 LEU C C 13 176.473 0.012 . 1 . 190 . . 86 LEU C . 26907 1 445 . 1 1 86 86 LEU CA C 13 53.982 0.086 . 1 . 191 . . 86 LEU CA . 26907 1 446 . 1 1 86 86 LEU CB C 13 43.864 0.138 . 1 . 192 . . 86 LEU CB . 26907 1 447 . 1 1 86 86 LEU CG C 13 27.395 0.076 . 1 . 652 . . 86 LEU CG . 26907 1 448 . 1 1 86 86 LEU CD1 C 13 25.766 0.055 . 2 . 653 . . 86 LEU CD1 . 26907 1 449 . 1 1 86 86 LEU CD2 C 13 24.329 0.06 . 2 . 654 . . 86 LEU CD2 . 26907 1 450 . 1 1 86 86 LEU N N 15 122.589 0.043 . 1 . 54 . . 86 LEU N . 26907 1 451 . 1 1 87 87 THR H H 1 7.377 0.003 . 1 . 77 . . 87 THR H . 26907 1 452 . 1 1 87 87 THR HA H 1 3.855 0.009 . 1 . 429 . . 87 THR HA . 26907 1 453 . 1 1 87 87 THR HB H 1 4.748 0.002 . 1 . 430 . . 87 THR HB . 26907 1 454 . 1 1 87 87 THR HG21 H 1 1.203 0.003 . 1 . 417 . . 87 THR HG21 . 26907 1 455 . 1 1 87 87 THR HG22 H 1 1.203 0.003 . 1 . 417 . . 87 THR HG22 . 26907 1 456 . 1 1 87 87 THR HG23 H 1 1.203 0.003 . 1 . 417 . . 87 THR HG23 . 26907 1 457 . 1 1 87 87 THR C C 13 173.329 0.018 . 1 . 195 . . 87 THR C . 26907 1 458 . 1 1 87 87 THR CA C 13 63.697 0.136 . 1 . 193 . . 87 THR CA . 26907 1 459 . 1 1 87 87 THR CB C 13 65.578 0.071 . 1 . 194 . . 87 THR CB . 26907 1 460 . 1 1 87 87 THR CG2 C 13 23.093 0.069 . 1 . 416 . . 87 THR CG2 . 26907 1 461 . 1 1 87 87 THR N N 15 116.205 0.041 . 1 . 78 . . 87 THR N . 26907 1 462 . 1 1 88 88 CYS H H 1 8.716 0.002 . 1 . 117 . . 88 CYS H . 26907 1 463 . 1 1 88 88 CYS HA H 1 5.610 0.004 . 1 . 457 . . 88 CYS HA . 26907 1 464 . 1 1 88 88 CYS HB2 H 1 2.636 0.003 . 2 . 455 . . 88 CYS HB2 . 26907 1 465 . 1 1 88 88 CYS HB3 H 1 3.606 0.003 . 2 . 456 . . 88 CYS HB3 . 26907 1 466 . 1 1 88 88 CYS C C 13 172.938 0.007 . 1 . 198 . . 88 CYS C . 26907 1 467 . 1 1 88 88 CYS CA C 13 55.171 0.077 . 1 . 196 . . 88 CYS CA . 26907 1 468 . 1 1 88 88 CYS CB C 13 49.389 0.073 . 1 . 197 . . 88 CYS CB . 26907 1 469 . 1 1 88 88 CYS N N 15 124.135 0.024 . 1 . 118 . . 88 CYS N . 26907 1 470 . 1 1 89 89 ASP H H 1 8.289 0.004 . 1 . 61 . . 89 ASP H . 26907 1 471 . 1 1 89 89 ASP HA H 1 5.251 0.004 . 1 . 736 . . 89 ASP HA . 26907 1 472 . 1 1 89 89 ASP HB2 H 1 2.620 0.006 . 2 . 737 . . 89 ASP HB2 . 26907 1 473 . 1 1 89 89 ASP HB3 H 1 2.381 0.001 . 2 . 738 . . 89 ASP HB3 . 26907 1 474 . 1 1 89 89 ASP C C 13 173.162 0.2 . 1 . 201 . . 89 ASP C . 26907 1 475 . 1 1 89 89 ASP CA C 13 51.382 0.089 . 1 . 200 . . 89 ASP CA . 26907 1 476 . 1 1 89 89 ASP CB C 13 44.284 0.076 . 1 . 199 . . 89 ASP CB . 26907 1 477 . 1 1 89 89 ASP N N 15 120.334 0.045 . 1 . 62 . . 89 ASP N . 26907 1 478 . 1 1 90 90 PRO HA H 1 4.516 0.002 . 1 . 592 . . 90 PRO HA . 26907 1 479 . 1 1 90 90 PRO HB2 H 1 1.808 0.007 . 2 . 593 . . 90 PRO HB2 . 26907 1 480 . 1 1 90 90 PRO HB3 H 1 2.292 0.003 . 2 . 594 . . 90 PRO HB3 . 26907 1 481 . 1 1 90 90 PRO HG2 H 1 2.050 0.006 . 1 . 595 . . 90 PRO HG2 . 26907 1 482 . 1 1 90 90 PRO HD2 H 1 3.746 0.009 . 2 . 597 . . 90 PRO HD2 . 26907 1 483 . 1 1 90 90 PRO HD3 H 1 3.865 0.006 . 2 . 778 . . 90 PRO HD3 . 26907 1 484 . 1 1 90 90 PRO C C 13 177.454 0.005 . 1 . 372 . . 90 PRO C . 26907 1 485 . 1 1 90 90 PRO CA C 13 62.836 0.098 . 1 . 370 . . 90 PRO CA . 26907 1 486 . 1 1 90 90 PRO CB C 13 32.245 0.084 . 1 . 371 . . 90 PRO CB . 26907 1 487 . 1 1 90 90 PRO CG C 13 27.299 0.114 . 1 . 591 . . 90 PRO CG . 26907 1 488 . 1 1 90 90 PRO CD C 13 50.632 0.083 . 1 . 596 . . 90 PRO CD . 26907 1 489 . 1 1 91 91 ILE H H 1 8.094 0.004 . 1 . 63 . . 91 ILE H . 26907 1 490 . 1 1 91 91 ILE HA H 1 4.255 0.006 . 1 . 620 . . 91 ILE HA . 26907 1 491 . 1 1 91 91 ILE HB H 1 1.622 0.005 . 1 . 619 . . 91 ILE HB . 26907 1 492 . 1 1 91 91 ILE HG12 H 1 1.400 0.007 . 2 . 621 . . 91 ILE HG12 . 26907 1 493 . 1 1 91 91 ILE HG13 H 1 1.069 0.008 . 2 . 622 . . 91 ILE HG13 . 26907 1 494 . 1 1 91 91 ILE HG21 H 1 0.820 0.007 . 1 . 623 . . 91 ILE HG21 . 26907 1 495 . 1 1 91 91 ILE HG22 H 1 0.820 0.007 . 1 . 623 . . 91 ILE HG22 . 26907 1 496 . 1 1 91 91 ILE HG23 H 1 0.820 0.007 . 1 . 623 . . 91 ILE HG23 . 26907 1 497 . 1 1 91 91 ILE HD11 H 1 0.737 0.006 . 1 . 624 . . 91 ILE HD11 . 26907 1 498 . 1 1 91 91 ILE HD12 H 1 0.737 0.006 . 1 . 624 . . 91 ILE HD12 . 26907 1 499 . 1 1 91 91 ILE HD13 H 1 0.737 0.006 . 1 . 624 . . 91 ILE HD13 . 26907 1 500 . 1 1 91 91 ILE C C 13 175.889 0.033 . 1 . 367 . . 91 ILE C . 26907 1 501 . 1 1 91 91 ILE CA C 13 60.911 0.109 . 1 . 369 . . 91 ILE CA . 26907 1 502 . 1 1 91 91 ILE CB C 13 38.472 0.077 . 1 . 368 . . 91 ILE CB . 26907 1 503 . 1 1 91 91 ILE CG1 C 13 27.631 0.048 . 1 . 616 . . 91 ILE CG1 . 26907 1 504 . 1 1 91 91 ILE CG2 C 13 17.582 0.079 . 1 . 617 . . 91 ILE CG2 . 26907 1 505 . 1 1 91 91 ILE CD1 C 13 13.696 0.053 . 1 . 618 . . 91 ILE CD1 . 26907 1 506 . 1 1 91 91 ILE N N 15 121.923 0.04 . 1 . 64 . . 91 ILE N . 26907 1 507 . 1 1 92 92 THR H H 1 8.359 0.002 . 1 . 123 . . 92 THR H . 26907 1 508 . 1 1 92 92 THR HA H 1 4.324 0.002 . 1 . 413 . . 92 THR HA . 26907 1 509 . 1 1 92 92 THR HB H 1 4.174 0.003 . 1 . 414 . . 92 THR HB . 26907 1 510 . 1 1 92 92 THR HG21 H 1 1.183 0.005 . 1 . 415 . . 92 THR HG21 . 26907 1 511 . 1 1 92 92 THR HG22 H 1 1.183 0.005 . 1 . 415 . . 92 THR HG22 . 26907 1 512 . 1 1 92 92 THR HG23 H 1 1.183 0.005 . 1 . 415 . . 92 THR HG23 . 26907 1 513 . 1 1 92 92 THR C C 13 174.440 0.019 . 1 . 365 . . 92 THR C . 26907 1 514 . 1 1 92 92 THR CA C 13 62.125 0.081 . 1 . 361 . . 92 THR CA . 26907 1 515 . 1 1 92 92 THR CB C 13 69.347 0.047 . 1 . 360 . . 92 THR CB . 26907 1 516 . 1 1 92 92 THR CG2 C 13 21.511 0.003 . 1 . 412 . . 92 THR CG2 . 26907 1 517 . 1 1 92 92 THR N N 15 119.653 0.035 . 1 . 124 . . 92 THR N . 26907 1 518 . 1 1 93 93 VAL H H 1 8.097 0.002 . 1 . 31 . . 93 VAL H . 26907 1 519 . 1 1 93 93 VAL HA H 1 4.123 0.009 . 1 . 520 . . 93 VAL HA . 26907 1 520 . 1 1 93 93 VAL HB H 1 2.053 0.002 . 1 . 519 . . 93 VAL HB . 26907 1 521 . 1 1 93 93 VAL HG11 H 1 0.864 0.006 . 2 . 518 . . 93 VAL HG11 . 26907 1 522 . 1 1 93 93 VAL HG12 H 1 0.864 0.006 . 2 . 518 . . 93 VAL HG12 . 26907 1 523 . 1 1 93 93 VAL HG13 H 1 0.864 0.006 . 2 . 518 . . 93 VAL HG13 . 26907 1 524 . 1 1 93 93 VAL HG21 H 1 0.893 0.008 . 2 . 522 . . 93 VAL HG21 . 26907 1 525 . 1 1 93 93 VAL HG22 H 1 0.893 0.008 . 2 . 522 . . 93 VAL HG22 . 26907 1 526 . 1 1 93 93 VAL HG23 H 1 0.893 0.008 . 2 . 522 . . 93 VAL HG23 . 26907 1 527 . 1 1 93 93 VAL C C 13 175.893 0.012 . 1 . 364 . . 93 VAL C . 26907 1 528 . 1 1 93 93 VAL CA C 13 62.349 0.117 . 1 . 358 . . 93 VAL CA . 26907 1 529 . 1 1 93 93 VAL CB C 13 32.710 0.105 . 1 . 359 . . 93 VAL CB . 26907 1 530 . 1 1 93 93 VAL CG1 C 13 20.531 0.047 . 2 . 521 . . 93 VAL CG1 . 26907 1 531 . 1 1 93 93 VAL CG2 C 13 21.187 0.035 . 2 . 517 . . 93 VAL CG2 . 26907 1 532 . 1 1 93 93 VAL N N 15 122.821 0.018 . 1 . 32 . . 93 VAL N . 26907 1 533 . 1 1 94 94 VAL H H 1 8.063 0.003 . 1 . 37 . . 94 VAL H . 26907 1 534 . 1 1 94 94 VAL HA H 1 4.123 0.007 . 1 . 732 . . 94 VAL HA . 26907 1 535 . 1 1 94 94 VAL C C 13 176.513 0.2 . 1 . 366 . . 94 VAL C . 26907 1 536 . 1 1 94 94 VAL CA C 13 62.301 0.102 . 1 . 362 . . 94 VAL CA . 26907 1 537 . 1 1 94 94 VAL CB C 13 32.746 0.2 . 1 . 363 . . 94 VAL CB . 26907 1 538 . 1 1 94 94 VAL N N 15 122.812 0.012 . 1 . 38 . . 94 VAL N . 26907 1 539 . 1 1 95 95 GLY HA2 H 1 3.874 0.002 . 2 . 503 . . 95 GLY HA2 . 26907 1 540 . 1 1 95 95 GLY HA3 H 1 3.996 0.002 . 2 . 504 . . 95 GLY HA3 . 26907 1 541 . 1 1 95 95 GLY C C 13 174.062 0.058 . 1 . 304 . . 95 GLY C . 26907 1 542 . 1 1 95 95 GLY CA C 13 45.211 0.028 . 1 . 303 . . 95 GLY CA . 26907 1 543 . 1 1 96 96 ALA H H 1 8.260 0.009 . 1 . 301 . . 96 ALA H . 26907 1 544 . 1 1 96 96 ALA HA H 1 4.306 0.008 . 1 . 398 . . 96 ALA HA . 26907 1 545 . 1 1 96 96 ALA HB1 H 1 1.386 0.001 . 1 . 399 . . 96 ALA HB1 . 26907 1 546 . 1 1 96 96 ALA HB2 H 1 1.386 0.001 . 1 . 399 . . 96 ALA HB2 . 26907 1 547 . 1 1 96 96 ALA HB3 H 1 1.386 0.001 . 1 . 399 . . 96 ALA HB3 . 26907 1 548 . 1 1 96 96 ALA C C 13 178.444 0.2 . 1 . 300 . . 96 ALA C . 26907 1 549 . 1 1 96 96 ALA CA C 13 52.822 0.082 . 1 . 298 . . 96 ALA CA . 26907 1 550 . 1 1 96 96 ALA CB C 13 18.820 0.025 . 1 . 299 . . 96 ALA CB . 26907 1 551 . 1 1 96 96 ALA N N 15 124.379 0.019 . 1 . 302 . . 96 ALA N . 26907 1 552 . 1 1 97 97 GLY H H 1 8.441 0.002 . 1 . 296 . . 97 GLY H . 26907 1 553 . 1 1 97 97 GLY HA2 H 1 3.973 0.006 . 1 . 494 . . 97 GLY HA2 . 26907 1 554 . 1 1 97 97 GLY C C 13 174.786 0.02 . 1 . 294 . . 97 GLY C . 26907 1 555 . 1 1 97 97 GLY CA C 13 45.434 0.02 . 1 . 295 . . 97 GLY CA . 26907 1 556 . 1 1 97 97 GLY N N 15 108.351 0.037 . 1 . 297 . . 97 GLY N . 26907 1 557 . 1 1 98 98 GLY H H 1 8.202 0.001 . 1 . 137 . . 98 GLY H . 26907 1 558 . 1 1 98 98 GLY HA2 H 1 3.963 0.004 . 1 . 493 . . 98 GLY HA2 . 26907 1 559 . 1 1 98 98 GLY C C 13 174.619 0.022 . 1 . 292 . . 98 GLY C . 26907 1 560 . 1 1 98 98 GLY CA C 13 45.403 0.009 . 1 . 293 . . 98 GLY CA . 26907 1 561 . 1 1 98 98 GLY N N 15 108.382 0.007 . 1 . 138 . . 98 GLY N . 26907 1 562 . 1 1 99 99 GLY H H 1 8.319 0.002 . 1 . 59 . . 99 GLY H . 26907 1 563 . 1 1 99 99 GLY HA2 H 1 3.859 0.005 . 2 . 491 . . 99 GLY HA2 . 26907 1 564 . 1 1 99 99 GLY HA3 H 1 4.049 0.002 . 2 . 492 . . 99 GLY HA3 . 26907 1 565 . 1 1 99 99 GLY C C 13 173.339 0.002 . 1 . 286 . . 99 GLY C . 26907 1 566 . 1 1 99 99 GLY CA C 13 45.263 0.024 . 1 . 282 . . 99 GLY CA . 26907 1 567 . 1 1 99 99 GLY N N 15 108.182 0.012 . 1 . 60 . . 99 GLY N . 26907 1 568 . 1 1 100 100 SER H H 1 8.091 0.002 . 1 . 133 . . 100 SER H . 26907 1 569 . 1 1 100 100 SER HA H 1 4.521 0.005 . 1 . 578 . . 100 SER HA . 26907 1 570 . 1 1 100 100 SER HB2 H 1 3.772 0.006 . 1 . 577 . . 100 SER HB2 . 26907 1 571 . 1 1 100 100 SER C C 13 173.153 0.032 . 1 . 285 . . 100 SER C . 26907 1 572 . 1 1 100 100 SER CA C 13 57.690 0.095 . 1 . 283 . . 100 SER CA . 26907 1 573 . 1 1 100 100 SER CB C 13 64.676 0.044 . 1 . 284 . . 100 SER CB . 26907 1 574 . 1 1 100 100 SER N N 15 114.063 0.016 . 1 . 134 . . 100 SER N . 26907 1 575 . 1 1 101 101 CYS H H 1 8.578 0.004 . 1 . 287 . . 101 CYS H . 26907 1 576 . 1 1 101 101 CYS HA H 1 5.004 0.002 . 1 . 466 . . 101 CYS HA . 26907 1 577 . 1 1 101 101 CYS HB2 H 1 2.769 0.002 . 2 . 464 . . 101 CYS HB2 . 26907 1 578 . 1 1 101 101 CYS HB3 H 1 2.943 0.007 . 2 . 465 . . 101 CYS HB3 . 26907 1 579 . 1 1 101 101 CYS C C 13 173.744 0.2 . 1 . 291 . . 101 CYS C . 26907 1 580 . 1 1 101 101 CYS CA C 13 54.401 0.058 . 1 . 289 . . 101 CYS CA . 26907 1 581 . 1 1 101 101 CYS CB C 13 38.017 0.036 . 1 . 290 . . 101 CYS CB . 26907 1 582 . 1 1 101 101 CYS N N 15 118.886 0.033 . 1 . 288 . . 101 CYS N . 26907 1 583 . 1 1 102 102 SER HA H 1 4.588 0.001 . 1 . 741 . . 102 SER HA . 26907 1 584 . 1 1 102 102 SER HB2 H 1 3.913 0.006 . 2 . 739 . . 102 SER HB2 . 26907 1 585 . 1 1 102 102 SER HB3 H 1 4.019 0.005 . 2 . 740 . . 102 SER HB3 . 26907 1 586 . 1 1 102 102 SER C C 13 172.709 0.025 . 1 . 222 . . 102 SER C . 26907 1 587 . 1 1 102 102 SER CA C 13 58.634 0.069 . 1 . 223 . . 102 SER CA . 26907 1 588 . 1 1 102 102 SER CB C 13 63.170 0.087 . 1 . 224 . . 102 SER CB . 26907 1 589 . 1 1 103 103 ALA H H 1 7.267 0.001 . 1 . 1 . . 103 ALA H . 26907 1 590 . 1 1 103 103 ALA HA H 1 4.718 0.017 . 1 . 396 . . 103 ALA HA . 26907 1 591 . 1 1 103 103 ALA HB1 H 1 1.418 0.004 . 1 . 397 . . 103 ALA HB1 . 26907 1 592 . 1 1 103 103 ALA HB2 H 1 1.418 0.004 . 1 . 397 . . 103 ALA HB2 . 26907 1 593 . 1 1 103 103 ALA HB3 H 1 1.418 0.004 . 1 . 397 . . 103 ALA HB3 . 26907 1 594 . 1 1 103 103 ALA C C 13 174.966 0.019 . 1 . 5 . . 103 ALA C . 26907 1 595 . 1 1 103 103 ALA CA C 13 51.188 0.023 . 1 . 4 . . 103 ALA CA . 26907 1 596 . 1 1 103 103 ALA CB C 13 18.920 0.112 . 1 . 3 . . 103 ALA CB . 26907 1 597 . 1 1 103 103 ALA N N 15 127.793 0.027 . 1 . 2 . . 103 ALA N . 26907 1 598 . 1 1 104 104 GLN H H 1 8.288 0.004 . 1 . 6 . . 104 GLN H . 26907 1 599 . 1 1 104 104 GLN HA H 1 4.598 0.002 . 1 . 472 . . 104 GLN HA . 26907 1 600 . 1 1 104 104 GLN HB2 H 1 1.902 0.008 . 2 . 474 . . 104 GLN HB2 . 26907 1 601 . 1 1 104 104 GLN HB3 H 1 2.007 0.005 . 2 . 475 . . 104 GLN HB3 . 26907 1 602 . 1 1 104 104 GLN HG2 H 1 2.251 0.014 . 1 . 473 . . 104 GLN HG2 . 26907 1 603 . 1 1 104 104 GLN HE21 H 1 7.582 0.002 . 1 . 389 . . 104 GLN HE21 . 26907 1 604 . 1 1 104 104 GLN HE22 H 1 7.003 0.001 . 1 . 391 . . 104 GLN HE22 . 26907 1 605 . 1 1 104 104 GLN C C 13 173.855 0.007 . 1 . 10 . . 104 GLN C . 26907 1 606 . 1 1 104 104 GLN CA C 13 54.635 0.118 . 1 . 9 . . 104 GLN CA . 26907 1 607 . 1 1 104 104 GLN CB C 13 29.975 0.076 . 1 . 8 . . 104 GLN CB . 26907 1 608 . 1 1 104 104 GLN CG C 13 33.492 0.114 . 1 . 471 . . 104 GLN CG . 26907 1 609 . 1 1 104 104 GLN N N 15 121.626 0.036 . 1 . 7 . . 104 GLN N . 26907 1 610 . 1 1 104 104 GLN NE2 N 15 113.183 0.102 . 1 . 390 . . 104 GLN NE2 . 26907 1 611 . 1 1 105 105 ALA H H 1 8.621 0.007 . 1 . 43 . . 105 ALA H . 26907 1 612 . 1 1 105 105 ALA HA H 1 5.327 0.003 . 1 . 395 . . 105 ALA HA . 26907 1 613 . 1 1 105 105 ALA HB1 H 1 1.220 0.003 . 1 . 394 . . 105 ALA HB1 . 26907 1 614 . 1 1 105 105 ALA HB2 H 1 1.220 0.003 . 1 . 394 . . 105 ALA HB2 . 26907 1 615 . 1 1 105 105 ALA HB3 H 1 1.220 0.003 . 1 . 394 . . 105 ALA HB3 . 26907 1 616 . 1 1 105 105 ALA C C 13 177.977 0.012 . 1 . 227 . . 105 ALA C . 26907 1 617 . 1 1 105 105 ALA CA C 13 51.420 0.071 . 1 . 226 . . 105 ALA CA . 26907 1 618 . 1 1 105 105 ALA CB C 13 19.008 0.066 . 1 . 225 . . 105 ALA CB . 26907 1 619 . 1 1 105 105 ALA N N 15 130.155 0.035 . 1 . 44 . . 105 ALA N . 26907 1 620 . 1 1 106 106 VAL H H 1 9.193 0.01 . 1 . 131 . . 106 VAL H . 26907 1 621 . 1 1 106 106 VAL HA H 1 5.136 0.003 . 1 . 512 . . 106 VAL HA . 26907 1 622 . 1 1 106 106 VAL HB H 1 1.781 0.003 . 1 . 511 . . 106 VAL HB . 26907 1 623 . 1 1 106 106 VAL HG11 H 1 0.814 0.014 . 2 . 515 . . 106 VAL HG11 . 26907 1 624 . 1 1 106 106 VAL HG12 H 1 0.814 0.014 . 2 . 515 . . 106 VAL HG12 . 26907 1 625 . 1 1 106 106 VAL HG13 H 1 0.814 0.014 . 2 . 515 . . 106 VAL HG13 . 26907 1 626 . 1 1 106 106 VAL HG21 H 1 0.651 0.006 . 2 . 516 . . 106 VAL HG21 . 26907 1 627 . 1 1 106 106 VAL HG22 H 1 0.651 0.006 . 2 . 516 . . 106 VAL HG22 . 26907 1 628 . 1 1 106 106 VAL HG23 H 1 0.651 0.006 . 2 . 516 . . 106 VAL HG23 . 26907 1 629 . 1 1 106 106 VAL C C 13 173.333 0.015 . 1 . 230 . . 106 VAL C . 26907 1 630 . 1 1 106 106 VAL CA C 13 58.194 0.052 . 1 . 229 . . 106 VAL CA . 26907 1 631 . 1 1 106 106 VAL CB C 13 37.055 0.082 . 1 . 228 . . 106 VAL CB . 26907 1 632 . 1 1 106 106 VAL CG1 C 13 20.607 0.063 . 2 . 514 . . 106 VAL CG1 . 26907 1 633 . 1 1 106 106 VAL CG2 C 13 23.660 0.066 . 2 . 513 . . 106 VAL CG2 . 26907 1 634 . 1 1 106 106 VAL N N 15 116.901 0.026 . 1 . 132 . . 106 VAL N . 26907 1 635 . 1 1 107 107 CYS H H 1 9.236 0.008 . 1 . 41 . . 107 CYS H . 26907 1 636 . 1 1 107 107 CYS HA H 1 5.174 0.017 . 1 . 454 . . 107 CYS HA . 26907 1 637 . 1 1 107 107 CYS HB2 H 1 2.710 0.006 . 2 . 452 . . 107 CYS HB2 . 26907 1 638 . 1 1 107 107 CYS HB3 H 1 2.950 0.004 . 2 . 453 . . 107 CYS HB3 . 26907 1 639 . 1 1 107 107 CYS C C 13 176.136 0.031 . 1 . 233 . . 107 CYS C . 26907 1 640 . 1 1 107 107 CYS CA C 13 54.250 0.072 . 1 . 232 . . 107 CYS CA . 26907 1 641 . 1 1 107 107 CYS CB C 13 40.105 0.083 . 1 . 231 . . 107 CYS CB . 26907 1 642 . 1 1 107 107 CYS N N 15 120.905 0.027 . 1 . 42 . . 107 CYS N . 26907 1 643 . 1 1 108 108 CYS H H 1 9.287 0.007 . 1 . 11 . . 108 CYS H . 26907 1 644 . 1 1 108 108 CYS HA H 1 5.809 0.007 . 1 . 451 . . 108 CYS HA . 26907 1 645 . 1 1 108 108 CYS HB2 H 1 2.457 0.01 . 2 . 449 . . 108 CYS HB2 . 26907 1 646 . 1 1 108 108 CYS HB3 H 1 3.491 0.004 . 2 . 450 . . 108 CYS HB3 . 26907 1 647 . 1 1 108 108 CYS C C 13 174.339 0.012 . 1 . 236 . . 108 CYS C . 26907 1 648 . 1 1 108 108 CYS CA C 13 54.530 0.096 . 1 . 235 . . 108 CYS CA . 26907 1 649 . 1 1 108 108 CYS CB C 13 48.639 0.055 . 1 . 234 . . 108 CYS CB . 26907 1 650 . 1 1 108 108 CYS N N 15 127.404 0.02 . 1 . 12 . . 108 CYS N . 26907 1 651 . 1 1 109 109 GLN H H 1 8.431 0.003 . 1 . 25 . . 109 GLN H . 26907 1 652 . 1 1 109 109 GLN HA H 1 4.189 0.005 . 1 . 467 . . 109 GLN HA . 26907 1 653 . 1 1 109 109 GLN HB2 H 1 2.257 0.004 . 1 . 468 . . 109 GLN HB2 . 26907 1 654 . 1 1 109 109 GLN HG2 H 1 2.618 0.004 . 1 . 469 . . 109 GLN HG2 . 26907 1 655 . 1 1 109 109 GLN HE21 H 1 7.719 0.001 . 1 . 742 . . 109 GLN HE21 . 26907 1 656 . 1 1 109 109 GLN HE22 H 1 6.829 0.001 . 1 . 744 . . 109 GLN HE22 . 26907 1 657 . 1 1 109 109 GLN C C 13 175.808 0.013 . 1 . 239 . . 109 GLN C . 26907 1 658 . 1 1 109 109 GLN CA C 13 58.047 0.096 . 1 . 238 . . 109 GLN CA . 26907 1 659 . 1 1 109 109 GLN CB C 13 30.028 0.058 . 1 . 237 . . 109 GLN CB . 26907 1 660 . 1 1 109 109 GLN CG C 13 33.766 0.081 . 1 . 470 . . 109 GLN CG . 26907 1 661 . 1 1 109 109 GLN N N 15 122.879 0.012 . 1 . 26 . . 109 GLN N . 26907 1 662 . 1 1 109 109 GLN NE2 N 15 113.223 0.148 . 1 . 743 . . 109 GLN NE2 . 26907 1 663 . 1 1 110 110 ASP H H 1 8.312 0.003 . 1 . 121 . . 110 ASP H . 26907 1 664 . 1 1 110 110 ASP HA H 1 4.971 0.003 . 1 . 438 . . 110 ASP HA . 26907 1 665 . 1 1 110 110 ASP HB2 H 1 3.053 0.003 . 2 . 439 . . 110 ASP HB2 . 26907 1 666 . 1 1 110 110 ASP HB3 H 1 2.532 0.003 . 2 . 440 . . 110 ASP HB3 . 26907 1 667 . 1 1 110 110 ASP C C 13 175.349 0.05 . 1 . 242 . . 110 ASP C . 26907 1 668 . 1 1 110 110 ASP CA C 13 53.252 0.078 . 1 . 241 . . 110 ASP CA . 26907 1 669 . 1 1 110 110 ASP CB C 13 41.914 0.071 . 1 . 240 . . 110 ASP CB . 26907 1 670 . 1 1 110 110 ASP N N 15 117.225 0.038 . 1 . 122 . . 110 ASP N . 26907 1 671 . 1 1 111 111 ASN H H 1 8.771 0.001 . 1 . 65 . . 111 ASN H . 26907 1 672 . 1 1 111 111 ASN HA H 1 5.580 0.006 . 1 . 432 . . 111 ASN HA . 26907 1 673 . 1 1 111 111 ASN HB2 H 1 2.494 0.004 . 2 . 433 . . 111 ASN HB2 . 26907 1 674 . 1 1 111 111 ASN HB3 H 1 2.644 0.003 . 2 . 434 . . 111 ASN HB3 . 26907 1 675 . 1 1 111 111 ASN C C 13 177.517 0.022 . 1 . 245 . . 111 ASN C . 26907 1 676 . 1 1 111 111 ASN CA C 13 52.110 0.102 . 1 . 244 . . 111 ASN CA . 26907 1 677 . 1 1 111 111 ASN CB C 13 39.313 0.01 . 1 . 243 . . 111 ASN CB . 26907 1 678 . 1 1 111 111 ASN N N 15 125.911 0.013 . 1 . 66 . . 111 ASN N . 26907 1 679 . 1 1 112 112 SER H H 1 7.370 0.003 . 1 . 67 . . 112 SER H . 26907 1 680 . 1 1 112 112 SER HA H 1 4.197 0.002 . 1 . 574 . . 112 SER HA . 26907 1 681 . 1 1 112 112 SER HB2 H 1 3.251 0.003 . 2 . 575 . . 112 SER HB2 . 26907 1 682 . 1 1 112 112 SER HB3 H 1 3.573 0.006 . 2 . 576 . . 112 SER HB3 . 26907 1 683 . 1 1 112 112 SER C C 13 174.525 0.01 . 1 . 248 . . 112 SER C . 26907 1 684 . 1 1 112 112 SER CA C 13 59.744 0.108 . 1 . 246 . . 112 SER CA . 26907 1 685 . 1 1 112 112 SER CB C 13 62.833 0.061 . 1 . 247 . . 112 SER CB . 26907 1 686 . 1 1 112 112 SER N N 15 114.979 0.034 . 1 . 68 . . 112 SER N . 26907 1 687 . 1 1 113 113 TYR H H 1 9.141 0.002 . 1 . 47 . . 113 TYR H . 26907 1 688 . 1 1 113 113 TYR HA H 1 4.708 0.007 . 1 . 565 . . 113 TYR HA . 26907 1 689 . 1 1 113 113 TYR HB2 H 1 3.276 0.005 . 2 . 566 . . 113 TYR HB2 . 26907 1 690 . 1 1 113 113 TYR HB3 H 1 3.082 0.004 . 2 . 567 . . 113 TYR HB3 . 26907 1 691 . 1 1 113 113 TYR HD1 H 1 7.023 0.004 . 1 . 745 . . 113 TYR HD1 . 26907 1 692 . 1 1 113 113 TYR HD2 H 1 7.023 0.004 . 1 . 745 . . 113 TYR HD2 . 26907 1 693 . 1 1 113 113 TYR HE1 H 1 6.605 0.002 . 1 . 747 . . 113 TYR HE1 . 26907 1 694 . 1 1 113 113 TYR HE2 H 1 6.605 0.002 . 1 . 747 . . 113 TYR HE2 . 26907 1 695 . 1 1 113 113 TYR C C 13 176.934 0.031 . 1 . 252 . . 113 TYR C . 26907 1 696 . 1 1 113 113 TYR CA C 13 56.966 0.027 . 1 . 253 . . 113 TYR CA . 26907 1 697 . 1 1 113 113 TYR CB C 13 37.928 0.021 . 1 . 254 . . 113 TYR CB . 26907 1 698 . 1 1 113 113 TYR CD1 C 13 133.357 0.072 . 1 . 746 . . 113 TYR CD1 . 26907 1 699 . 1 1 113 113 TYR CD2 C 13 133.357 0.072 . 1 . 746 . . 113 TYR CD2 . 26907 1 700 . 1 1 113 113 TYR CE1 C 13 118.309 0.032 . 1 . 748 . . 113 TYR CE1 . 26907 1 701 . 1 1 113 113 TYR CE2 C 13 118.309 0.032 . 1 . 748 . . 113 TYR CE2 . 26907 1 702 . 1 1 113 113 TYR N N 15 122.674 0.032 . 1 . 48 . . 113 TYR N . 26907 1 703 . 1 1 114 114 GLY H H 1 8.130 0.001 . 1 . 69 . . 114 GLY H . 26907 1 704 . 1 1 114 114 GLY HA2 H 1 3.778 0.002 . 2 . 489 . . 114 GLY HA2 . 26907 1 705 . 1 1 114 114 GLY HA3 H 1 4.149 0.007 . 2 . 490 . . 114 GLY HA3 . 26907 1 706 . 1 1 114 114 GLY C C 13 174.858 0.004 . 1 . 256 . . 114 GLY C . 26907 1 707 . 1 1 114 114 GLY CA C 13 45.467 0.061 . 1 . 255 . . 114 GLY CA . 26907 1 708 . 1 1 114 114 GLY N N 15 109.215 0.02 . 1 . 70 . . 114 GLY N . 26907 1 709 . 1 1 115 115 SER H H 1 8.640 0.001 . 1 . 115 . . 115 SER H . 26907 1 710 . 1 1 115 115 SER HA H 1 4.520 0.002 . 1 . 572 . . 115 SER HA . 26907 1 711 . 1 1 115 115 SER HB2 H 1 4.006 0.015 . 2 . 571 . . 115 SER HB2 . 26907 1 712 . 1 1 115 115 SER HB3 H 1 4.048 0.0 . 2 . 573 . . 115 SER HB3 . 26907 1 713 . 1 1 115 115 SER C C 13 175.104 0.069 . 1 . 259 . . 115 SER C . 26907 1 714 . 1 1 115 115 SER CA C 13 59.495 0.084 . 1 . 257 . . 115 SER CA . 26907 1 715 . 1 1 115 115 SER CB C 13 64.573 0.048 . 1 . 258 . . 115 SER CB . 26907 1 716 . 1 1 115 115 SER N N 15 117.479 0.022 . 1 . 116 . . 115 SER N . 26907 1 717 . 1 1 116 116 LEU H H 1 7.489 0.002 . 1 . 99 . . 116 LEU H . 26907 1 718 . 1 1 116 116 LEU HA H 1 4.048 0.009 . 1 . 646 . . 116 LEU HA . 26907 1 719 . 1 1 116 116 LEU HB2 H 1 1.753 0.01 . 2 . 647 . . 116 LEU HB2 . 26907 1 720 . 1 1 116 116 LEU HB3 H 1 1.800 0.013 . 2 . 648 . . 116 LEU HB3 . 26907 1 721 . 1 1 116 116 LEU HG H 1 1.549 0.006 . 1 . 649 . . 116 LEU HG . 26907 1 722 . 1 1 116 116 LEU HD11 H 1 0.969 0.012 . 2 . 650 . . 116 LEU HD11 . 26907 1 723 . 1 1 116 116 LEU HD12 H 1 0.969 0.012 . 2 . 650 . . 116 LEU HD12 . 26907 1 724 . 1 1 116 116 LEU HD13 H 1 0.969 0.012 . 2 . 650 . . 116 LEU HD13 . 26907 1 725 . 1 1 116 116 LEU HD21 H 1 0.986 0.012 . 2 . 651 . . 116 LEU HD21 . 26907 1 726 . 1 1 116 116 LEU HD22 H 1 0.986 0.012 . 2 . 651 . . 116 LEU HD22 . 26907 1 727 . 1 1 116 116 LEU HD23 H 1 0.986 0.012 . 2 . 651 . . 116 LEU HD23 . 26907 1 728 . 1 1 116 116 LEU C C 13 176.875 0.006 . 1 . 262 . . 116 LEU C . 26907 1 729 . 1 1 116 116 LEU CA C 13 58.239 0.097 . 1 . 260 . . 116 LEU CA . 26907 1 730 . 1 1 116 116 LEU CB C 13 44.034 0.081 . 1 . 261 . . 116 LEU CB . 26907 1 731 . 1 1 116 116 LEU CG C 13 26.908 0.055 . 1 . 643 . . 116 LEU CG . 26907 1 732 . 1 1 116 116 LEU CD1 C 13 25.808 0.115 . 2 . 644 . . 116 LEU CD1 . 26907 1 733 . 1 1 116 116 LEU CD2 C 13 23.380 0.058 . 2 . 645 . . 116 LEU CD2 . 26907 1 734 . 1 1 116 116 LEU N N 15 120.053 0.02 . 1 . 100 . . 116 LEU N . 26907 1 735 . 1 1 117 117 ILE H H 1 6.766 0.004 . 1 . 263 . . 117 ILE H . 26907 1 736 . 1 1 117 117 ILE HA H 1 5.519 0.004 . 1 . 608 . . 117 ILE HA . 26907 1 737 . 1 1 117 117 ILE HB H 1 1.786 0.005 . 1 . 609 . . 117 ILE HB . 26907 1 738 . 1 1 117 117 ILE HG12 H 1 0.691 0.005 . 2 . 612 . . 117 ILE HG12 . 26907 1 739 . 1 1 117 117 ILE HG13 H 1 1.877 0.008 . 2 . 615 . . 117 ILE HG13 . 26907 1 740 . 1 1 117 117 ILE HG21 H 1 0.505 0.003 . 1 . 611 . . 117 ILE HG21 . 26907 1 741 . 1 1 117 117 ILE HG22 H 1 0.505 0.003 . 1 . 611 . . 117 ILE HG22 . 26907 1 742 . 1 1 117 117 ILE HG23 H 1 0.505 0.003 . 1 . 611 . . 117 ILE HG23 . 26907 1 743 . 1 1 117 117 ILE HD11 H 1 0.598 0.011 . 1 . 613 . . 117 ILE HD11 . 26907 1 744 . 1 1 117 117 ILE HD12 H 1 0.598 0.011 . 1 . 613 . . 117 ILE HD12 . 26907 1 745 . 1 1 117 117 ILE HD13 H 1 0.598 0.011 . 1 . 613 . . 117 ILE HD13 . 26907 1 746 . 1 1 117 117 ILE C C 13 172.052 0.027 . 1 . 267 . . 117 ILE C . 26907 1 747 . 1 1 117 117 ILE CA C 13 58.568 0.113 . 1 . 266 . . 117 ILE CA . 26907 1 748 . 1 1 117 117 ILE CB C 13 40.843 0.104 . 1 . 265 . . 117 ILE CB . 26907 1 749 . 1 1 117 117 ILE CG1 C 13 28.821 0.081 . 1 . 607 . . 117 ILE CG1 . 26907 1 750 . 1 1 117 117 ILE CG2 C 13 15.053 0.053 . 1 . 610 . . 117 ILE CG2 . 26907 1 751 . 1 1 117 117 ILE CD1 C 13 14.755 0.065 . 1 . 614 . . 117 ILE CD1 . 26907 1 752 . 1 1 117 117 ILE N N 15 112.125 0.02 . 1 . 264 . . 117 ILE N . 26907 1 753 . 1 1 118 118 SER H H 1 9.332 0.003 . 1 . 145 . . 118 SER H . 26907 1 754 . 1 1 118 118 SER HA H 1 5.008 0.004 . 1 . 568 . . 118 SER HA . 26907 1 755 . 1 1 118 118 SER HB2 H 1 3.785 0.004 . 2 . 569 . . 118 SER HB2 . 26907 1 756 . 1 1 118 118 SER HB3 H 1 3.526 0.008 . 2 . 570 . . 118 SER HB3 . 26907 1 757 . 1 1 118 118 SER C C 13 173.249 0.022 . 1 . 270 . . 118 SER C . 26907 1 758 . 1 1 118 118 SER CA C 13 59.409 0.08 . 1 . 268 . . 118 SER CA . 26907 1 759 . 1 1 118 118 SER CB C 13 67.351 0.068 . 1 . 269 . . 118 SER CB . 26907 1 760 . 1 1 118 118 SER N N 15 123.390 0.015 . 1 . 146 . . 118 SER N . 26907 1 761 . 1 1 119 119 ILE H H 1 9.051 0.005 . 1 . 73 . . 119 ILE H . 26907 1 762 . 1 1 119 119 ILE HA H 1 4.385 0.005 . 1 . 602 . . 119 ILE HA . 26907 1 763 . 1 1 119 119 ILE HB H 1 1.963 0.009 . 1 . 601 . . 119 ILE HB . 26907 1 764 . 1 1 119 119 ILE HG12 H 1 1.582 0.002 . 2 . 605 . . 119 ILE HG12 . 26907 1 765 . 1 1 119 119 ILE HG13 H 1 0.825 0.002 . 2 . 606 . . 119 ILE HG13 . 26907 1 766 . 1 1 119 119 ILE HG21 H 1 0.935 0.012 . 1 . 603 . . 119 ILE HG21 . 26907 1 767 . 1 1 119 119 ILE HG22 H 1 0.935 0.012 . 1 . 603 . . 119 ILE HG22 . 26907 1 768 . 1 1 119 119 ILE HG23 H 1 0.935 0.012 . 1 . 603 . . 119 ILE HG23 . 26907 1 769 . 1 1 119 119 ILE HD11 H 1 0.740 0.002 . 1 . 604 . . 119 ILE HD11 . 26907 1 770 . 1 1 119 119 ILE HD12 H 1 0.740 0.002 . 1 . 604 . . 119 ILE HD12 . 26907 1 771 . 1 1 119 119 ILE HD13 H 1 0.740 0.002 . 1 . 604 . . 119 ILE HD13 . 26907 1 772 . 1 1 119 119 ILE C C 13 175.496 0.002 . 1 . 273 . . 119 ILE C . 26907 1 773 . 1 1 119 119 ILE CA C 13 61.859 0.074 . 1 . 272 . . 119 ILE CA . 26907 1 774 . 1 1 119 119 ILE CB C 13 41.212 0.097 . 1 . 271 . . 119 ILE CB . 26907 1 775 . 1 1 119 119 ILE CG1 C 13 28.326 0.07 . 1 . 598 . . 119 ILE CG1 . 26907 1 776 . 1 1 119 119 ILE CG2 C 13 18.204 0.058 . 1 . 599 . . 119 ILE CG2 . 26907 1 777 . 1 1 119 119 ILE CD1 C 13 14.837 0.058 . 1 . 600 . . 119 ILE CD1 . 26907 1 778 . 1 1 119 119 ILE N N 15 121.727 0.04 . 1 . 74 . . 119 ILE N . 26907 1 779 . 1 1 120 120 GLY H H 1 7.706 0.006 . 1 . 35 . . 120 GLY H . 26907 1 780 . 1 1 120 120 GLY HA2 H 1 3.955 0.003 . 2 . 487 . . 120 GLY HA2 . 26907 1 781 . 1 1 120 120 GLY HA3 H 1 4.201 0.004 . 2 . 488 . . 120 GLY HA3 . 26907 1 782 . 1 1 120 120 GLY C C 13 174.665 0.017 . 1 . 275 . . 120 GLY C . 26907 1 783 . 1 1 120 120 GLY CA C 13 47.792 0.05 . 1 . 274 . . 120 GLY CA . 26907 1 784 . 1 1 120 120 GLY N N 15 116.697 0.021 . 1 . 36 . . 120 GLY N . 26907 1 785 . 1 1 121 121 CYS H H 1 7.877 0.003 . 1 . 139 . . 121 CYS H . 26907 1 786 . 1 1 121 121 CYS HA H 1 5.553 0.005 . 1 . 448 . . 121 CYS HA . 26907 1 787 . 1 1 121 121 CYS HB2 H 1 2.190 0.004 . 2 . 446 . . 121 CYS HB2 . 26907 1 788 . 1 1 121 121 CYS HB3 H 1 2.483 0.01 . 2 . 447 . . 121 CYS HB3 . 26907 1 789 . 1 1 121 121 CYS C C 13 173.618 0.002 . 1 . 278 . . 121 CYS C . 26907 1 790 . 1 1 121 121 CYS CA C 13 55.254 0.062 . 1 . 276 . . 121 CYS CA . 26907 1 791 . 1 1 121 121 CYS CB C 13 45.761 0.09 . 1 . 277 . . 121 CYS CB . 26907 1 792 . 1 1 121 121 CYS N N 15 119.369 0.025 . 1 . 140 . . 121 CYS N . 26907 1 793 . 1 1 122 122 ILE H H 1 8.476 0.004 . 1 . 119 . . 122 ILE H . 26907 1 794 . 1 1 122 122 ILE HA H 1 4.827 0.05 . 1 . 638 . . 122 ILE HA . 26907 1 795 . 1 1 122 122 ILE HB H 1 1.894 0.005 . 1 . 634 . . 122 ILE HB . 26907 1 796 . 1 1 122 122 ILE HG12 H 1 1.534 0.007 . 2 . 635 . . 122 ILE HG12 . 26907 1 797 . 1 1 122 122 ILE HG13 H 1 1.231 0.013 . 2 . 636 . . 122 ILE HG13 . 26907 1 798 . 1 1 122 122 ILE HG21 H 1 1.007 0.018 . 1 . 637 . . 122 ILE HG21 . 26907 1 799 . 1 1 122 122 ILE HG22 H 1 1.007 0.018 . 1 . 637 . . 122 ILE HG22 . 26907 1 800 . 1 1 122 122 ILE HG23 H 1 1.007 0.018 . 1 . 637 . . 122 ILE HG23 . 26907 1 801 . 1 1 122 122 ILE HD11 H 1 0.882 0.007 . 1 . 642 . . 122 ILE HD11 . 26907 1 802 . 1 1 122 122 ILE HD12 H 1 0.882 0.007 . 1 . 642 . . 122 ILE HD12 . 26907 1 803 . 1 1 122 122 ILE HD13 H 1 0.882 0.007 . 1 . 642 . . 122 ILE HD13 . 26907 1 804 . 1 1 122 122 ILE C C 13 173.386 0.2 . 1 . 281 . . 122 ILE C . 26907 1 805 . 1 1 122 122 ILE CA C 13 57.394 0.064 . 1 . 280 . . 122 ILE CA . 26907 1 806 . 1 1 122 122 ILE CB C 13 41.447 0.088 . 1 . 279 . . 122 ILE CB . 26907 1 807 . 1 1 122 122 ILE CG1 C 13 26.452 0.048 . 1 . 641 . . 122 ILE CG1 . 26907 1 808 . 1 1 122 122 ILE CG2 C 13 17.155 0.033 . 1 . 640 . . 122 ILE CG2 . 26907 1 809 . 1 1 122 122 ILE CD1 C 13 12.992 0.014 . 1 . 639 . . 122 ILE CD1 . 26907 1 810 . 1 1 122 122 ILE N N 15 119.745 0.058 . 1 . 120 . . 122 ILE N . 26907 1 811 . 1 1 123 123 PRO HA H 1 4.724 0.008 . 1 . 723 . . 123 PRO HA . 26907 1 812 . 1 1 123 123 PRO HB2 H 1 1.913 0.005 . 2 . 724 . . 123 PRO HB2 . 26907 1 813 . 1 1 123 123 PRO HB3 H 1 2.427 0.006 . 2 . 725 . . 123 PRO HB3 . 26907 1 814 . 1 1 123 123 PRO HG2 H 1 1.784 0.012 . 2 . 728 . . 123 PRO HG2 . 26907 1 815 . 1 1 123 123 PRO HG3 H 1 2.120 0.003 . 2 . 729 . . 123 PRO HG3 . 26907 1 816 . 1 1 123 123 PRO HD2 H 1 3.600 0.001 . 2 . 730 . . 123 PRO HD2 . 26907 1 817 . 1 1 123 123 PRO HD3 H 1 3.753 0.012 . 2 . 731 . . 123 PRO HD3 . 26907 1 818 . 1 1 123 123 PRO C C 13 175.454 0.2 . 1 . 357 . . 123 PRO C . 26907 1 819 . 1 1 123 123 PRO CA C 13 63.861 0.035 . 1 . 356 . . 123 PRO CA . 26907 1 820 . 1 1 123 123 PRO CB C 13 32.449 0.072 . 1 . 355 . . 123 PRO CB . 26907 1 821 . 1 1 123 123 PRO CG C 13 27.808 0.071 . 1 . 727 . . 123 PRO CG . 26907 1 822 . 1 1 123 123 PRO CD C 13 51.496 0.049 . 1 . 726 . . 123 PRO CD . 26907 1 823 . 1 1 124 124 VAL H H 1 7.720 0.01 . 1 . 33 . . 124 VAL H . 26907 1 824 . 1 1 124 124 VAL HA H 1 5.217 0.04 . 1 . 507 . . 124 VAL HA . 26907 1 825 . 1 1 124 124 VAL HB H 1 1.915 0.009 . 1 . 508 . . 124 VAL HB . 26907 1 826 . 1 1 124 124 VAL HG11 H 1 0.848 0.004 . 2 . 509 . . 124 VAL HG11 . 26907 1 827 . 1 1 124 124 VAL HG12 H 1 0.848 0.004 . 2 . 509 . . 124 VAL HG12 . 26907 1 828 . 1 1 124 124 VAL HG13 H 1 0.848 0.004 . 2 . 509 . . 124 VAL HG13 . 26907 1 829 . 1 1 124 124 VAL HG21 H 1 0.631 0.007 . 2 . 510 . . 124 VAL HG21 . 26907 1 830 . 1 1 124 124 VAL HG22 H 1 0.631 0.007 . 2 . 510 . . 124 VAL HG22 . 26907 1 831 . 1 1 124 124 VAL HG23 H 1 0.631 0.007 . 2 . 510 . . 124 VAL HG23 . 26907 1 832 . 1 1 124 124 VAL C C 13 175.388 0.063 . 1 . 354 . . 124 VAL C . 26907 1 833 . 1 1 124 124 VAL CA C 13 58.575 0.055 . 1 . 352 . . 124 VAL CA . 26907 1 834 . 1 1 124 124 VAL CB C 13 35.638 0.05 . 1 . 353 . . 124 VAL CB . 26907 1 835 . 1 1 124 124 VAL CG1 C 13 22.464 0.069 . 2 . 505 . . 124 VAL CG1 . 26907 1 836 . 1 1 124 124 VAL CG2 C 13 19.729 0.092 . 2 . 506 . . 124 VAL CG2 . 26907 1 837 . 1 1 124 124 VAL N N 15 115.005 0.04 . 1 . 34 . . 124 VAL N . 26907 1 838 . 1 1 125 125 THR H H 1 8.351 0.007 . 1 . 141 . . 125 THR H . 26907 1 839 . 1 1 125 125 THR HA H 1 4.396 0.015 . 1 . 409 . . 125 THR HA . 26907 1 840 . 1 1 125 125 THR HB H 1 4.016 0.015 . 1 . 410 . . 125 THR HB . 26907 1 841 . 1 1 125 125 THR HG21 H 1 1.187 0.012 . 1 . 411 . . 125 THR HG21 . 26907 1 842 . 1 1 125 125 THR HG22 H 1 1.187 0.012 . 1 . 411 . . 125 THR HG22 . 26907 1 843 . 1 1 125 125 THR HG23 H 1 1.187 0.012 . 1 . 411 . . 125 THR HG23 . 26907 1 844 . 1 1 125 125 THR C C 13 173.765 0.029 . 1 . 351 . . 125 THR C . 26907 1 845 . 1 1 125 125 THR CA C 13 60.943 0.073 . 1 . 348 . . 125 THR CA . 26907 1 846 . 1 1 125 125 THR CB C 13 70.020 0.063 . 1 . 349 . . 125 THR CB . 26907 1 847 . 1 1 125 125 THR CG2 C 13 21.615 0.069 . 1 . 408 . . 125 THR CG2 . 26907 1 848 . 1 1 125 125 THR N N 15 116.690 0.083 . 1 . 142 . . 125 THR N . 26907 1 849 . 1 1 126 126 LEU H H 1 8.284 0.004 . 1 . 17 . . 126 LEU H . 26907 1 850 . 1 1 126 126 LEU HA H 1 4.177 0.009 . 1 . 698 . . 126 LEU HA . 26907 1 851 . 1 1 126 126 LEU HB2 H 1 1.544 0.007 . 1 . 697 . . 126 LEU HB2 . 26907 1 852 . 1 1 126 126 LEU HG H 1 1.497 0.017 . 1 . 703 . . 126 LEU HG . 26907 1 853 . 1 1 126 126 LEU HD11 H 1 0.726 0.002 . 2 . 700 . . 126 LEU HD11 . 26907 1 854 . 1 1 126 126 LEU HD12 H 1 0.726 0.002 . 2 . 700 . . 126 LEU HD12 . 26907 1 855 . 1 1 126 126 LEU HD13 H 1 0.726 0.002 . 2 . 700 . . 126 LEU HD13 . 26907 1 856 . 1 1 126 126 LEU HD21 H 1 0.797 0.003 . 2 . 701 . . 126 LEU HD21 . 26907 1 857 . 1 1 126 126 LEU HD22 H 1 0.797 0.003 . 2 . 701 . . 126 LEU HD22 . 26907 1 858 . 1 1 126 126 LEU HD23 H 1 0.797 0.003 . 2 . 701 . . 126 LEU HD23 . 26907 1 859 . 1 1 126 126 LEU C C 13 182.075 0.2 . 1 . 350 . . 126 LEU C . 26907 1 860 . 1 1 126 126 LEU CA C 13 56.429 0.083 . 1 . 346 . . 126 LEU CA . 26907 1 861 . 1 1 126 126 LEU CB C 13 42.885 0.083 . 1 . 347 . . 126 LEU CB . 26907 1 862 . 1 1 126 126 LEU CG C 13 27.154 0.071 . 1 . 704 . . 126 LEU CG . 26907 1 863 . 1 1 126 126 LEU CD1 C 13 23.514 0.077 . 2 . 699 . . 126 LEU CD1 . 26907 1 864 . 1 1 126 126 LEU CD2 C 13 25.979 0.081 . 2 . 702 . . 126 LEU CD2 . 26907 1 865 . 1 1 126 126 LEU N N 15 132.405 0.061 . 1 . 18 . . 126 LEU N . 26907 1 stop_ save_