data_25976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25976 _Entry.Title ; Solution structure of the HYD1 hydrophobin from Schizophyllum commune ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-21 _Entry.Accession_date 2016-03-10 _Entry.Last_release_date 2016-03-30 _Entry.Original_release_date 2016-03-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _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 . . . . 25976 2 Steven Smith . . . . 25976 3 Julie Grondin . . . . 25976 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' . 25976 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 25976 hydrophobin . 25976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 25976 '15N chemical shifts' 91 25976 '1H chemical shifts' 574 25976 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 . . 2016-03-30 . original BMRB . 25976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NBH 'BMRB Entry Tracking System' 25976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of a fungal hydrophobin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 David Langelaan . . . . 25976 1 2 Steven Smith . . . . 25976 1 3 Emma Master . . . . 25976 1 4 Julie-Anne Gandier . . . . 25976 1 5 Julie Grondin . . . . 25976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25976 _Assembly.ID 1 _Assembly.Name 'fungal hydrophobin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Hydrophobin 1 $Hydrophobin A . yes native no no . . . 25976 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 Hydrophobin 1 CYS 24 24 SG . 1 Hydrophobin 1 CYS 86 86 SG . . 33 CYS . . . 95 CYS . 25976 1 2 disulfide single . 1 Hydrophobin 1 CYS 31 31 SG . 1 Hydrophobin 1 CYS 80 80 SG . . 40 CYS . . . 89 CYS . 25976 1 3 disulfide single . 1 Hydrophobin 1 CYS 32 32 SG . 1 Hydrophobin 1 CYS 67 67 SG . . 41 CYS . . . 76 CYS . 25976 1 4 disulfide single . 1 Hydrophobin 1 CYS 87 87 SG . 1 Hydrophobin 1 CYS 100 100 SG . . 96 CYS . . . 109 CYS . 25976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hydrophobin _Entity.Sf_category entity _Entity.Sf_framecode Hydrophobin _Entity.Entry_ID 25976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hydrophobin _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 ; KAMADIGSTAVPRDVNGGTP PKSCSSGPVYCCNKTEDSKH LDKGTTALLGLLNIKIGDLK DLVGLNCSPLSVIGVGGNSC SAQTVCCTNTYQHGLVNVGC TPINIGL ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'SK insertion at position 46' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10873.522 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP D8QCG9_SCHCM . HYD1 . . . . . . . . . . . . . . 25976 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LYS . 25976 1 2 . ALA . 25976 1 3 12 MET . 25976 1 4 13 ALA . 25976 1 5 14 ASP . 25976 1 6 15 ILE . 25976 1 7 16 GLY . 25976 1 8 17 SER . 25976 1 9 18 THR . 25976 1 10 19 ALA . 25976 1 11 20 VAL . 25976 1 12 21 PRO . 25976 1 13 22 ARG . 25976 1 14 23 ASP . 25976 1 15 24 VAL . 25976 1 16 25 ASN . 25976 1 17 26 GLY . 25976 1 18 27 GLY . 25976 1 19 28 THR . 25976 1 20 29 PRO . 25976 1 21 30 PRO . 25976 1 22 31 LYS . 25976 1 23 32 SER . 25976 1 24 33 CYS . 25976 1 25 34 SER . 25976 1 26 35 SER . 25976 1 27 36 GLY . 25976 1 28 37 PRO . 25976 1 29 38 VAL . 25976 1 30 39 TYR . 25976 1 31 40 CYS . 25976 1 32 41 CYS . 25976 1 33 42 ASN . 25976 1 34 43 LYS . 25976 1 35 44 THR . 25976 1 36 45 GLU . 25976 1 37 46 ASP . 25976 1 38 47 SER . 25976 1 39 48 LYS . 25976 1 40 49 HIS . 25976 1 41 50 LEU . 25976 1 42 51 ASP . 25976 1 43 52 LYS . 25976 1 44 53 GLY . 25976 1 45 54 THR . 25976 1 46 55 THR . 25976 1 47 56 ALA . 25976 1 48 57 LEU . 25976 1 49 58 LEU . 25976 1 50 59 GLY . 25976 1 51 60 LEU . 25976 1 52 61 LEU . 25976 1 53 62 ASN . 25976 1 54 63 ILE . 25976 1 55 64 LYS . 25976 1 56 65 ILE . 25976 1 57 66 GLY . 25976 1 58 67 ASP . 25976 1 59 68 LEU . 25976 1 60 69 LYS . 25976 1 61 70 ASP . 25976 1 62 71 LEU . 25976 1 63 72 VAL . 25976 1 64 73 GLY . 25976 1 65 74 LEU . 25976 1 66 75 ASN . 25976 1 67 76 CYS . 25976 1 68 77 SER . 25976 1 69 78 PRO . 25976 1 70 79 LEU . 25976 1 71 80 SER . 25976 1 72 81 VAL . 25976 1 73 82 ILE . 25976 1 74 83 GLY . 25976 1 75 84 VAL . 25976 1 76 85 GLY . 25976 1 77 86 GLY . 25976 1 78 87 ASN . 25976 1 79 88 SER . 25976 1 80 89 CYS . 25976 1 81 90 SER . 25976 1 82 91 ALA . 25976 1 83 92 GLN . 25976 1 84 93 THR . 25976 1 85 94 VAL . 25976 1 86 95 CYS . 25976 1 87 96 CYS . 25976 1 88 97 THR . 25976 1 89 98 ASN . 25976 1 90 99 THR . 25976 1 91 100 TYR . 25976 1 92 101 GLN . 25976 1 93 102 HIS . 25976 1 94 103 GLY . 25976 1 95 104 LEU . 25976 1 96 105 VAL . 25976 1 97 106 ASN . 25976 1 98 107 VAL . 25976 1 99 108 GLY . 25976 1 100 109 CYS . 25976 1 101 110 THR . 25976 1 102 111 PRO . 25976 1 103 112 ILE . 25976 1 104 113 ASN . 25976 1 105 114 ILE . 25976 1 106 115 GLY . 25976 1 107 116 LEU . 25976 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 25976 1 . ALA 2 2 25976 1 . MET 3 3 25976 1 . ALA 4 4 25976 1 . ASP 5 5 25976 1 . ILE 6 6 25976 1 . GLY 7 7 25976 1 . SER 8 8 25976 1 . THR 9 9 25976 1 . ALA 10 10 25976 1 . VAL 11 11 25976 1 . PRO 12 12 25976 1 . ARG 13 13 25976 1 . ASP 14 14 25976 1 . VAL 15 15 25976 1 . ASN 16 16 25976 1 . GLY 17 17 25976 1 . GLY 18 18 25976 1 . THR 19 19 25976 1 . PRO 20 20 25976 1 . PRO 21 21 25976 1 . LYS 22 22 25976 1 . SER 23 23 25976 1 . CYS 24 24 25976 1 . SER 25 25 25976 1 . SER 26 26 25976 1 . GLY 27 27 25976 1 . PRO 28 28 25976 1 . VAL 29 29 25976 1 . TYR 30 30 25976 1 . CYS 31 31 25976 1 . CYS 32 32 25976 1 . ASN 33 33 25976 1 . LYS 34 34 25976 1 . THR 35 35 25976 1 . GLU 36 36 25976 1 . ASP 37 37 25976 1 . SER 38 38 25976 1 . LYS 39 39 25976 1 . HIS 40 40 25976 1 . LEU 41 41 25976 1 . ASP 42 42 25976 1 . LYS 43 43 25976 1 . GLY 44 44 25976 1 . THR 45 45 25976 1 . THR 46 46 25976 1 . ALA 47 47 25976 1 . LEU 48 48 25976 1 . LEU 49 49 25976 1 . GLY 50 50 25976 1 . LEU 51 51 25976 1 . LEU 52 52 25976 1 . ASN 53 53 25976 1 . ILE 54 54 25976 1 . LYS 55 55 25976 1 . ILE 56 56 25976 1 . GLY 57 57 25976 1 . ASP 58 58 25976 1 . LEU 59 59 25976 1 . LYS 60 60 25976 1 . ASP 61 61 25976 1 . LEU 62 62 25976 1 . VAL 63 63 25976 1 . GLY 64 64 25976 1 . LEU 65 65 25976 1 . ASN 66 66 25976 1 . CYS 67 67 25976 1 . SER 68 68 25976 1 . PRO 69 69 25976 1 . LEU 70 70 25976 1 . SER 71 71 25976 1 . VAL 72 72 25976 1 . ILE 73 73 25976 1 . GLY 74 74 25976 1 . VAL 75 75 25976 1 . GLY 76 76 25976 1 . GLY 77 77 25976 1 . ASN 78 78 25976 1 . SER 79 79 25976 1 . CYS 80 80 25976 1 . SER 81 81 25976 1 . ALA 82 82 25976 1 . GLN 83 83 25976 1 . THR 84 84 25976 1 . VAL 85 85 25976 1 . CYS 86 86 25976 1 . CYS 87 87 25976 1 . THR 88 88 25976 1 . ASN 89 89 25976 1 . THR 90 90 25976 1 . TYR 91 91 25976 1 . GLN 92 92 25976 1 . HIS 93 93 25976 1 . GLY 94 94 25976 1 . LEU 95 95 25976 1 . VAL 96 96 25976 1 . ASN 97 97 25976 1 . VAL 98 98 25976 1 . GLY 99 99 25976 1 . CYS 100 100 25976 1 . THR 101 101 25976 1 . PRO 102 102 25976 1 . ILE 103 103 25976 1 . ASN 104 104 25976 1 . ILE 105 105 25976 1 . GLY 106 106 25976 1 . LEU 107 107 25976 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 25976 _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 $Hydrophobin . 5334 organism . 'Schizophyllum commune' 'Schizophyllum commune' . . Eukaryota Fungi Schizophyllum commune . . . . . . . . . . . . . 25976 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 25976 _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 $Hydrophobin . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pET 32' . . . 25976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25976 _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 Hydrophobin '[U-13C; U-15N]' . . 1 $Hydrophobin . protein 1 . . mM . . . . 25976 1 2 TRIS 'natural abundance' . . . . . buffer 25 . . mM . . . . 25976 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 25976 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25976 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25976 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 25976 _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 25976 1 pH 8 . pH 25976 1 pressure 1 . atm 25976 1 temperature 303 . K 25976 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25976 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25976 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25976 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25976 _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 . . 25976 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25976 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25976 _Software.ID 3 _Software.Name CcpNmr_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wim F. Vranken, Wayne Boucher, Tim J. Stevens, Rasmus H. Fogh,' . . 25976 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25976 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25976 _Software.ID 4 _Software.Name ARIA _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25976 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25976 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25976 _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 25976 _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 . . . 25976 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 25976 _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 . . . . . . . . . . . . . . . . 25976 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 1 11 '1H-15N Heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25976 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 25976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 25976 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25976 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 25976 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25976 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 1 $sample_1 isotropic 25976 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25976 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25976 1 4 '3D C(CO)NH' 1 $sample_1 isotropic 25976 1 5 '3D HNCO' 1 $sample_1 isotropic 25976 1 6 '3D HNCACB' 1 $sample_1 isotropic 25976 1 7 '3D HBHA(CO)NH' 1 $sample_1 isotropic 25976 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 3 3 MET HE1 H 1 2.131 0.02 . 1 . 982 . A 12 MET HE1 . 25976 1 2 . 1 1 3 3 MET HE2 H 1 2.131 0.02 . 1 . 982 . A 12 MET HE2 . 25976 1 3 . 1 1 3 3 MET HE3 H 1 2.131 0.02 . 1 . 982 . A 12 MET HE3 . 25976 1 4 . 1 1 3 3 MET CE C 13 16.717 0.2 . 1 . 983 . A 12 MET CE . 25976 1 5 . 1 1 6 6 ILE HA H 1 3.667 0.006 . 1 . 994 . A 15 ILE HA . 25976 1 6 . 1 1 6 6 ILE HB H 1 1.971 0.007 . 1 . 1000 . A 15 ILE HB . 25976 1 7 . 1 1 6 6 ILE HG12 H 1 1.253 0.008 . 2 . 1002 . A 15 ILE HG12 . 25976 1 8 . 1 1 6 6 ILE HG13 H 1 1.464 0.007 . 2 . 1001 . A 15 ILE HG13 . 25976 1 9 . 1 1 6 6 ILE HG21 H 1 1.001 0.001 . 1 . 1003 . A 15 ILE HG21 . 25976 1 10 . 1 1 6 6 ILE HG22 H 1 1.001 0.001 . 1 . 1003 . A 15 ILE HG22 . 25976 1 11 . 1 1 6 6 ILE HG23 H 1 1.001 0.001 . 1 . 1003 . A 15 ILE HG23 . 25976 1 12 . 1 1 6 6 ILE HD11 H 1 0.929 0.001 . 1 . 1004 . A 15 ILE HD11 . 25976 1 13 . 1 1 6 6 ILE HD12 H 1 0.929 0.001 . 1 . 1004 . A 15 ILE HD12 . 25976 1 14 . 1 1 6 6 ILE HD13 H 1 0.929 0.001 . 1 . 1004 . A 15 ILE HD13 . 25976 1 15 . 1 1 6 6 ILE CA C 13 62.481 0.054 . 1 . 995 . A 15 ILE CA . 25976 1 16 . 1 1 6 6 ILE CB C 13 38.667 0.034 . 1 . 996 . A 15 ILE CB . 25976 1 17 . 1 1 6 6 ILE CG1 C 13 27.189 0.021 . 1 . 997 . A 15 ILE CG1 . 25976 1 18 . 1 1 6 6 ILE CG2 C 13 17.428 0.02 . 1 . 998 . A 15 ILE CG2 . 25976 1 19 . 1 1 6 6 ILE CD1 C 13 13.794 0.149 . 1 . 999 . A 15 ILE CD1 . 25976 1 20 . 1 1 12 12 PRO HA H 1 4.118 0.002 . 1 . 987 . A 21 PRO HA . 25976 1 21 . 1 1 12 12 PRO HB2 H 1 2.067 0.007 . 2 . 984 . A 21 PRO HB2 . 25976 1 22 . 1 1 12 12 PRO HB3 H 1 2.345 0.005 . 2 . 986 . A 21 PRO HB3 . 25976 1 23 . 1 1 12 12 PRO HG3 H 1 2.000 0.02 . 1 . 993 . A 21 PRO HG3 . 25976 1 24 . 1 1 12 12 PRO HD2 H 1 3.336 0.004 . 2 . 992 . A 21 PRO HD2 . 25976 1 25 . 1 1 12 12 PRO HD3 H 1 3.417 0.005 . 2 . 991 . A 21 PRO HD3 . 25976 1 26 . 1 1 12 12 PRO CA C 13 64.090 0.031 . 1 . 990 . A 21 PRO CA . 25976 1 27 . 1 1 12 12 PRO CB C 13 31.696 0.023 . 1 . 985 . A 21 PRO CB . 25976 1 28 . 1 1 12 12 PRO CG C 13 26.544 0.043 . 1 . 988 . A 21 PRO CG . 25976 1 29 . 1 1 12 12 PRO CD C 13 48.983 0.02 . 1 . 989 . A 21 PRO CD . 25976 1 30 . 1 1 17 17 GLY H H 1 8.384 0.007 . 1 . 407 . A 26 GLY H . 25976 1 31 . 1 1 17 17 GLY HA3 H 1 3.948 0.001 . 1 . 861 . A 26 GLY HA3 . 25976 1 32 . 1 1 17 17 GLY C C 13 175.035 0.019 . 1 . 3 . A 26 GLY C . 25976 1 33 . 1 1 17 17 GLY CA C 13 45.546 0.019 . 1 . 2 . A 26 GLY CA . 25976 1 34 . 1 1 17 17 GLY N N 15 114.290 0.038 . 1 . 1 . A 26 GLY N . 25976 1 35 . 1 1 18 18 GLY H H 1 8.407 0.003 . 1 . 5 . A 27 GLY H . 25976 1 36 . 1 1 18 18 GLY HA3 H 1 3.998 0.001 . 1 . 860 . A 27 GLY HA3 . 25976 1 37 . 1 1 18 18 GLY C C 13 174.008 0.031 . 1 . 7 . A 27 GLY C . 25976 1 38 . 1 1 18 18 GLY CA C 13 45.126 0.052 . 1 . 6 . A 27 GLY CA . 25976 1 39 . 1 1 18 18 GLY N N 15 108.899 0.026 . 1 . 4 . A 27 GLY N . 25976 1 40 . 1 1 19 19 THR H H 1 8.094 0.004 . 1 . 9 . A 28 THR H . 25976 1 41 . 1 1 19 19 THR HA H 1 4.606 0.005 . 1 . 865 . A 28 THR HA . 25976 1 42 . 1 1 19 19 THR HB H 1 4.111 0.007 . 1 . 862 . A 28 THR HB . 25976 1 43 . 1 1 19 19 THR HG21 H 1 1.238 0.001 . 1 . 864 . A 28 THR HG21 . 25976 1 44 . 1 1 19 19 THR HG22 H 1 1.238 0.001 . 1 . 864 . A 28 THR HG22 . 25976 1 45 . 1 1 19 19 THR HG23 H 1 1.238 0.001 . 1 . 864 . A 28 THR HG23 . 25976 1 46 . 1 1 19 19 THR C C 13 172.495 0.2 . 1 . 408 . A 28 THR C . 25976 1 47 . 1 1 19 19 THR CA C 13 59.831 0.037 . 1 . 10 . A 28 THR CA . 25976 1 48 . 1 1 19 19 THR CB C 13 69.774 0.103 . 1 . 11 . A 28 THR CB . 25976 1 49 . 1 1 19 19 THR CG2 C 13 21.607 0.084 . 1 . 863 . A 28 THR CG2 . 25976 1 50 . 1 1 19 19 THR N N 15 116.542 0.026 . 1 . 8 . A 28 THR N . 25976 1 51 . 1 1 20 20 PRO HA H 1 4.692 0.003 . 1 . 969 . A 29 PRO HA . 25976 1 52 . 1 1 20 20 PRO HB2 H 1 2.370 0.007 . 2 . 967 . A 29 PRO HB2 . 25976 1 53 . 1 1 20 20 PRO HB3 H 1 1.897 0.006 . 2 . 968 . A 29 PRO HB3 . 25976 1 54 . 1 1 20 20 PRO HG2 H 1 2.008 0.002 . 2 . 963 . A 29 PRO HG2 . 25976 1 55 . 1 1 20 20 PRO HG3 H 1 2.057 0.002 . 2 . 962 . A 29 PRO HG3 . 25976 1 56 . 1 1 20 20 PRO HD2 H 1 3.686 0.006 . 2 . 961 . A 29 PRO HD2 . 25976 1 57 . 1 1 20 20 PRO HD3 H 1 3.903 0.007 . 2 . 959 . A 29 PRO HD3 . 25976 1 58 . 1 1 20 20 PRO CA C 13 61.684 0.046 . 1 . 964 . A 29 PRO CA . 25976 1 59 . 1 1 20 20 PRO CB C 13 30.961 0.028 . 1 . 966 . A 29 PRO CB . 25976 1 60 . 1 1 20 20 PRO CG C 13 27.502 0.027 . 1 . 965 . A 29 PRO CG . 25976 1 61 . 1 1 20 20 PRO CD C 13 51.093 0.023 . 1 . 960 . A 29 PRO CD . 25976 1 62 . 1 1 21 21 PRO HA H 1 4.449 0.006 . 1 . 854 . A 30 PRO HA . 25976 1 63 . 1 1 21 21 PRO HB2 H 1 2.313 0.008 . 2 . 855 . A 30 PRO HB2 . 25976 1 64 . 1 1 21 21 PRO HB3 H 1 1.932 0.008 . 2 . 856 . A 30 PRO HB3 . 25976 1 65 . 1 1 21 21 PRO HG3 H 1 2.042 0.005 . 1 . 857 . A 30 PRO HG3 . 25976 1 66 . 1 1 21 21 PRO HD2 H 1 3.672 0.012 . 2 . 859 . A 30 PRO HD2 . 25976 1 67 . 1 1 21 21 PRO HD3 H 1 3.820 0.007 . 2 . 858 . A 30 PRO HD3 . 25976 1 68 . 1 1 21 21 PRO C C 13 176.740 0.2 . 1 . 12 . A 30 PRO C . 25976 1 69 . 1 1 21 21 PRO CA C 13 62.957 0.064 . 1 . 410 . A 30 PRO CA . 25976 1 70 . 1 1 21 21 PRO CB C 13 32.237 0.038 . 1 . 411 . A 30 PRO CB . 25976 1 71 . 1 1 21 21 PRO CG C 13 27.423 0.025 . 1 . 412 . A 30 PRO CG . 25976 1 72 . 1 1 21 21 PRO CD C 13 50.578 0.044 . 1 . 413 . A 30 PRO CD . 25976 1 73 . 1 1 22 22 LYS H H 1 8.369 0.002 . 1 . 14 . A 31 LYS H . 25976 1 74 . 1 1 22 22 LYS HA H 1 4.342 0.007 . 1 . 847 . A 31 LYS HA . 25976 1 75 . 1 1 22 22 LYS HB2 H 1 1.732 0.007 . 2 . 850 . A 31 LYS HB2 . 25976 1 76 . 1 1 22 22 LYS HB3 H 1 1.846 0.006 . 2 . 849 . A 31 LYS HB3 . 25976 1 77 . 1 1 22 22 LYS HG3 H 1 1.475 0.005 . 1 . 851 . A 31 LYS HG3 . 25976 1 78 . 1 1 22 22 LYS HD3 H 1 1.714 0.003 . 1 . 852 . A 31 LYS HD3 . 25976 1 79 . 1 1 22 22 LYS HE3 H 1 3.018 0.02 . 1 . 853 . A 31 LYS HE3 . 25976 1 80 . 1 1 22 22 LYS C C 13 175.356 0.044 . 1 . 17 . A 31 LYS C . 25976 1 81 . 1 1 22 22 LYS CA C 13 55.984 0.039 . 1 . 15 . A 31 LYS CA . 25976 1 82 . 1 1 22 22 LYS CB C 13 33.090 0.026 . 1 . 16 . A 31 LYS CB . 25976 1 83 . 1 1 22 22 LYS CG C 13 24.921 0.043 . 1 . 845 . A 31 LYS CG . 25976 1 84 . 1 1 22 22 LYS CD C 13 29.120 0.043 . 1 . 846 . A 31 LYS CD . 25976 1 85 . 1 1 22 22 LYS CE C 13 42.295 0.073 . 1 . 848 . A 31 LYS CE . 25976 1 86 . 1 1 22 22 LYS N N 15 120.795 0.024 . 1 . 13 . A 31 LYS N . 25976 1 87 . 1 1 23 23 SER H H 1 7.892 0.003 . 1 . 19 . A 32 SER H . 25976 1 88 . 1 1 23 23 SER HA H 1 4.421 0.005 . 1 . 843 . A 32 SER HA . 25976 1 89 . 1 1 23 23 SER HB3 H 1 3.784 0.005 . 1 . 844 . A 32 SER HB3 . 25976 1 90 . 1 1 23 23 SER C C 13 173.409 0.009 . 1 . 22 . A 32 SER C . 25976 1 91 . 1 1 23 23 SER CA C 13 57.610 0.051 . 1 . 20 . A 32 SER CA . 25976 1 92 . 1 1 23 23 SER CB C 13 64.894 0.056 . 1 . 21 . A 32 SER CB . 25976 1 93 . 1 1 23 23 SER N N 15 114.291 0.029 . 1 . 18 . A 32 SER N . 25976 1 94 . 1 1 24 24 CYS H H 1 8.431 0.003 . 1 . 24 . A 33 CYS H . 25976 1 95 . 1 1 24 24 CYS HA H 1 4.870 0.003 . 1 . 842 . A 33 CYS HA . 25976 1 96 . 1 1 24 24 CYS HB2 H 1 2.677 0.011 . 2 . 841 . A 33 CYS HB2 . 25976 1 97 . 1 1 24 24 CYS HB3 H 1 3.264 0.011 . 2 . 840 . A 33 CYS HB3 . 25976 1 98 . 1 1 24 24 CYS C C 13 176.023 0.2 . 1 . 409 . A 33 CYS C . 25976 1 99 . 1 1 24 24 CYS CA C 13 53.189 0.034 . 1 . 25 . A 33 CYS CA . 25976 1 100 . 1 1 24 24 CYS CB C 13 38.507 0.042 . 1 . 26 . A 33 CYS CB . 25976 1 101 . 1 1 24 24 CYS N N 15 119.120 0.022 . 1 . 23 . A 33 CYS N . 25976 1 102 . 1 1 25 25 SER HA H 1 4.202 0.007 . 1 . 839 . A 34 SER HA . 25976 1 103 . 1 1 25 25 SER HB3 H 1 3.915 0.006 . 1 . 838 . A 34 SER HB3 . 25976 1 104 . 1 1 25 25 SER C C 13 175.161 0.2 . 1 . 29 . A 34 SER C . 25976 1 105 . 1 1 25 25 SER CA C 13 61.359 0.054 . 1 . 27 . A 34 SER CA . 25976 1 106 . 1 1 25 25 SER CB C 13 62.968 0.052 . 1 . 28 . A 34 SER CB . 25976 1 107 . 1 1 26 26 SER H H 1 7.937 0.005 . 1 . 31 . A 35 SER H . 25976 1 108 . 1 1 26 26 SER HA H 1 4.567 0.006 . 1 . 837 . A 35 SER HA . 25976 1 109 . 1 1 26 26 SER HB3 H 1 3.787 0.008 . 1 . 836 . A 35 SER HB3 . 25976 1 110 . 1 1 26 26 SER C C 13 173.708 0.2 . 1 . 34 . A 35 SER C . 25976 1 111 . 1 1 26 26 SER CA C 13 57.605 0.068 . 1 . 32 . A 35 SER CA . 25976 1 112 . 1 1 26 26 SER CB C 13 64.611 0.088 . 1 . 33 . A 35 SER CB . 25976 1 113 . 1 1 26 26 SER N N 15 113.787 0.027 . 1 . 30 . A 35 SER N . 25976 1 114 . 1 1 27 27 GLY H H 1 8.139 0.002 . 1 . 36 . A 36 GLY H . 25976 1 115 . 1 1 27 27 GLY HA3 H 1 3.835 0.012 . 1 . 866 . A 36 GLY HA3 . 25976 1 116 . 1 1 27 27 GLY C C 13 170.142 0.2 . 1 . 414 . A 36 GLY C . 25976 1 117 . 1 1 27 27 GLY CA C 13 44.609 0.001 . 1 . 37 . A 36 GLY CA . 25976 1 118 . 1 1 27 27 GLY N N 15 111.612 0.016 . 1 . 35 . A 36 GLY N . 25976 1 119 . 1 1 28 28 PRO HA H 1 4.493 0.005 . 1 . 828 . A 37 PRO HA . 25976 1 120 . 1 1 28 28 PRO HB2 H 1 1.940 0.01 . 2 . 829 . A 37 PRO HB2 . 25976 1 121 . 1 1 28 28 PRO HB3 H 1 1.635 0.012 . 2 . 830 . A 37 PRO HB3 . 25976 1 122 . 1 1 28 28 PRO HG2 H 1 1.630 0.005 . 2 . 832 . A 37 PRO HG2 . 25976 1 123 . 1 1 28 28 PRO HG3 H 1 0.814 0.01 . 2 . 831 . A 37 PRO HG3 . 25976 1 124 . 1 1 28 28 PRO HD2 H 1 3.382 0.006 . 2 . 835 . A 37 PRO HD2 . 25976 1 125 . 1 1 28 28 PRO HD3 H 1 3.501 0.007 . 2 . 834 . A 37 PRO HD3 . 25976 1 126 . 1 1 28 28 PRO C C 13 174.796 0.004 . 1 . 40 . A 37 PRO C . 25976 1 127 . 1 1 28 28 PRO CA C 13 62.039 0.055 . 1 . 38 . A 37 PRO CA . 25976 1 128 . 1 1 28 28 PRO CB C 13 31.838 0.045 . 1 . 39 . A 37 PRO CB . 25976 1 129 . 1 1 28 28 PRO CG C 13 25.375 0.06 . 1 . 827 . A 37 PRO CG . 25976 1 130 . 1 1 28 28 PRO CD C 13 48.917 0.049 . 1 . 833 . A 37 PRO CD . 25976 1 131 . 1 1 29 29 VAL H H 1 7.959 0.003 . 1 . 42 . A 38 VAL H . 25976 1 132 . 1 1 29 29 VAL HA H 1 4.038 0.007 . 1 . 717 . A 38 VAL HA . 25976 1 133 . 1 1 29 29 VAL HB H 1 1.840 0.015 . 1 . 718 . A 38 VAL HB . 25976 1 134 . 1 1 29 29 VAL HG11 H 1 0.826 0.008 . 2 . 719 . A 38 VAL HG11 . 25976 1 135 . 1 1 29 29 VAL HG12 H 1 0.826 0.008 . 2 . 719 . A 38 VAL HG12 . 25976 1 136 . 1 1 29 29 VAL HG13 H 1 0.826 0.008 . 2 . 719 . A 38 VAL HG13 . 25976 1 137 . 1 1 29 29 VAL HG21 H 1 1.031 0.008 . 2 . 720 . A 38 VAL HG21 . 25976 1 138 . 1 1 29 29 VAL HG22 H 1 1.031 0.008 . 2 . 720 . A 38 VAL HG22 . 25976 1 139 . 1 1 29 29 VAL HG23 H 1 1.031 0.008 . 2 . 720 . A 38 VAL HG23 . 25976 1 140 . 1 1 29 29 VAL C C 13 175.858 0.021 . 1 . 45 . A 38 VAL C . 25976 1 141 . 1 1 29 29 VAL CA C 13 63.770 0.074 . 1 . 43 . A 38 VAL CA . 25976 1 142 . 1 1 29 29 VAL CB C 13 32.007 0.073 . 1 . 44 . A 38 VAL CB . 25976 1 143 . 1 1 29 29 VAL CG1 C 13 22.847 0.107 . 2 . 716 . A 38 VAL CG1 . 25976 1 144 . 1 1 29 29 VAL CG2 C 13 22.539 0.021 . 2 . 721 . A 38 VAL CG2 . 25976 1 145 . 1 1 29 29 VAL N N 15 117.732 0.014 . 1 . 41 . A 38 VAL N . 25976 1 146 . 1 1 30 30 TYR H H 1 9.211 0.005 . 1 . 47 . A 39 TYR H . 25976 1 147 . 1 1 30 30 TYR HA H 1 4.936 0.006 . 1 . 722 . A 39 TYR HA . 25976 1 148 . 1 1 30 30 TYR HB2 H 1 2.787 0.007 . 2 . 724 . A 39 TYR HB2 . 25976 1 149 . 1 1 30 30 TYR HB3 H 1 2.583 0.008 . 2 . 723 . A 39 TYR HB3 . 25976 1 150 . 1 1 30 30 TYR HD1 H 1 6.726 0.006 . 1 . 823 . A 39 TYR HD1 . 25976 1 151 . 1 1 30 30 TYR HD2 H 1 6.726 0.006 . 1 . 823 . A 39 TYR HD2 . 25976 1 152 . 1 1 30 30 TYR HE1 H 1 6.886 0.009 . 1 . 870 . A 39 TYR HE1 . 25976 1 153 . 1 1 30 30 TYR HE2 H 1 6.886 0.009 . 1 . 870 . A 39 TYR HE2 . 25976 1 154 . 1 1 30 30 TYR C C 13 174.310 0.007 . 1 . 50 . A 39 TYR C . 25976 1 155 . 1 1 30 30 TYR CA C 13 57.647 0.05 . 1 . 48 . A 39 TYR CA . 25976 1 156 . 1 1 30 30 TYR CB C 13 41.967 0.063 . 1 . 49 . A 39 TYR CB . 25976 1 157 . 1 1 30 30 TYR CD1 C 13 133.194 0.078 . 1 . 824 . A 39 TYR CD1 . 25976 1 158 . 1 1 30 30 TYR CD2 C 13 133.194 0.078 . 1 . 824 . A 39 TYR CD2 . 25976 1 159 . 1 1 30 30 TYR CE1 C 13 118.548 0.057 . 1 . 869 . A 39 TYR CE1 . 25976 1 160 . 1 1 30 30 TYR CE2 C 13 118.548 0.057 . 1 . 869 . A 39 TYR CE2 . 25976 1 161 . 1 1 30 30 TYR N N 15 123.192 0.031 . 1 . 46 . A 39 TYR N . 25976 1 162 . 1 1 31 31 CYS H H 1 9.314 0.008 . 1 . 52 . A 40 CYS H . 25976 1 163 . 1 1 31 31 CYS HA H 1 5.432 0.004 . 1 . 727 . A 40 CYS HA . 25976 1 164 . 1 1 31 31 CYS HB2 H 1 3.331 0.006 . 2 . 726 . A 40 CYS HB2 . 25976 1 165 . 1 1 31 31 CYS HB3 H 1 2.685 0.011 . 2 . 725 . A 40 CYS HB3 . 25976 1 166 . 1 1 31 31 CYS C C 13 176.017 0.026 . 1 . 55 . A 40 CYS C . 25976 1 167 . 1 1 31 31 CYS CA C 13 53.735 0.057 . 1 . 53 . A 40 CYS CA . 25976 1 168 . 1 1 31 31 CYS CB C 13 39.893 0.039 . 1 . 54 . A 40 CYS CB . 25976 1 169 . 1 1 31 31 CYS N N 15 120.114 0.04 . 1 . 51 . A 40 CYS N . 25976 1 170 . 1 1 32 32 CYS H H 1 9.731 0.004 . 1 . 57 . A 41 CYS H . 25976 1 171 . 1 1 32 32 CYS HA H 1 5.290 0.006 . 1 . 728 . A 41 CYS HA . 25976 1 172 . 1 1 32 32 CYS HB2 H 1 2.970 0.005 . 2 . 730 . A 41 CYS HB2 . 25976 1 173 . 1 1 32 32 CYS HB3 H 1 2.420 0.01 . 2 . 729 . A 41 CYS HB3 . 25976 1 174 . 1 1 32 32 CYS C C 13 173.141 0.013 . 1 . 60 . A 41 CYS C . 25976 1 175 . 1 1 32 32 CYS CA C 13 55.157 0.04 . 1 . 58 . A 41 CYS CA . 25976 1 176 . 1 1 32 32 CYS CB C 13 45.001 0.027 . 1 . 59 . A 41 CYS CB . 25976 1 177 . 1 1 32 32 CYS N N 15 127.396 0.021 . 1 . 56 . A 41 CYS N . 25976 1 178 . 1 1 33 33 ASN H H 1 8.395 0.004 . 1 . 62 . A 42 ASN H . 25976 1 179 . 1 1 33 33 ASN HA H 1 4.411 0.004 . 1 . 732 . A 42 ASN HA . 25976 1 180 . 1 1 33 33 ASN HB2 H 1 2.891 0.004 . 2 . 731 . A 42 ASN HB2 . 25976 1 181 . 1 1 33 33 ASN HB3 H 1 3.035 0.01 . 2 . 461 . A 42 ASN HB3 . 25976 1 182 . 1 1 33 33 ASN HD21 H 1 6.992 0.001 . 1 . 801 . A 42 ASN HD21 . 25976 1 183 . 1 1 33 33 ASN HD22 H 1 7.738 0.001 . 1 . 799 . A 42 ASN HD22 . 25976 1 184 . 1 1 33 33 ASN C C 13 175.025 0.019 . 1 . 65 . A 42 ASN C . 25976 1 185 . 1 1 33 33 ASN CA C 13 56.500 0.041 . 1 . 63 . A 42 ASN CA . 25976 1 186 . 1 1 33 33 ASN CB C 13 39.754 0.021 . 1 . 64 . A 42 ASN CB . 25976 1 187 . 1 1 33 33 ASN N N 15 123.244 0.013 . 1 . 61 . A 42 ASN N . 25976 1 188 . 1 1 33 33 ASN ND2 N 15 111.767 0.009 . 1 . 800 . A 42 ASN ND2 . 25976 1 189 . 1 1 34 34 LYS H H 1 7.904 0.002 . 1 . 67 . A 43 LYS H . 25976 1 190 . 1 1 34 34 LYS HA H 1 4.655 0.003 . 1 . 747 . A 43 LYS HA . 25976 1 191 . 1 1 34 34 LYS HB3 H 1 1.789 0.007 . 1 . 746 . A 43 LYS HB3 . 25976 1 192 . 1 1 34 34 LYS HG3 H 1 1.423 0.01 . 1 . 438 . A 43 LYS HG3 . 25976 1 193 . 1 1 34 34 LYS HD3 H 1 1.678 0.008 . 1 . 745 . A 43 LYS HD3 . 25976 1 194 . 1 1 34 34 LYS HE3 H 1 2.989 0.007 . 1 . 749 . A 43 LYS HE3 . 25976 1 195 . 1 1 34 34 LYS C C 13 174.833 0.2 . 1 . 69 . A 43 LYS C . 25976 1 196 . 1 1 34 34 LYS CA C 13 55.144 0.063 . 1 . 415 . A 43 LYS CA . 25976 1 197 . 1 1 34 34 LYS CB C 13 37.263 0.036 . 1 . 68 . A 43 LYS CB . 25976 1 198 . 1 1 34 34 LYS CG C 13 25.212 0.032 . 1 . 744 . A 43 LYS CG . 25976 1 199 . 1 1 34 34 LYS CD C 13 29.342 0.019 . 1 . 748 . A 43 LYS CD . 25976 1 200 . 1 1 34 34 LYS CE C 13 42.199 0.049 . 1 . 743 . A 43 LYS CE . 25976 1 201 . 1 1 34 34 LYS N N 15 115.360 0.09 . 1 . 66 . A 43 LYS N . 25976 1 202 . 1 1 35 35 THR H H 1 8.355 0.004 . 1 . 71 . A 44 THR H . 25976 1 203 . 1 1 35 35 THR HA H 1 5.526 0.005 . 1 . 734 . A 44 THR HA . 25976 1 204 . 1 1 35 35 THR HB H 1 3.993 0.005 . 1 . 733 . A 44 THR HB . 25976 1 205 . 1 1 35 35 THR HG21 H 1 0.882 0.005 . 1 . 735 . A 44 THR HG21 . 25976 1 206 . 1 1 35 35 THR HG22 H 1 0.882 0.005 . 1 . 735 . A 44 THR HG22 . 25976 1 207 . 1 1 35 35 THR HG23 H 1 0.882 0.005 . 1 . 735 . A 44 THR HG23 . 25976 1 208 . 1 1 35 35 THR C C 13 173.663 0.043 . 1 . 74 . A 44 THR C . 25976 1 209 . 1 1 35 35 THR CA C 13 59.132 0.051 . 1 . 72 . A 44 THR CA . 25976 1 210 . 1 1 35 35 THR CB C 13 72.206 0.059 . 1 . 73 . A 44 THR CB . 25976 1 211 . 1 1 35 35 THR CG2 C 13 21.518 0.04 . 1 . 736 . A 44 THR CG2 . 25976 1 212 . 1 1 35 35 THR N N 15 112.223 0.022 . 1 . 70 . A 44 THR N . 25976 1 213 . 1 1 36 36 GLU H H 1 8.952 0.006 . 1 . 76 . A 45 GLU H . 25976 1 214 . 1 1 36 36 GLU HA H 1 4.625 0.005 . 1 . 741 . A 45 GLU HA . 25976 1 215 . 1 1 36 36 GLU HB2 H 1 1.521 0.008 . 2 . 740 . A 45 GLU HB2 . 25976 1 216 . 1 1 36 36 GLU HB3 H 1 2.084 0.004 . 2 . 739 . A 45 GLU HB3 . 25976 1 217 . 1 1 36 36 GLU HG2 H 1 2.091 0.008 . 2 . 742 . A 45 GLU HG2 . 25976 1 218 . 1 1 36 36 GLU HG3 H 1 2.228 0.008 . 2 . 738 . A 45 GLU HG3 . 25976 1 219 . 1 1 36 36 GLU C C 13 174.864 0.009 . 1 . 79 . A 45 GLU C . 25976 1 220 . 1 1 36 36 GLU CA C 13 54.845 0.061 . 1 . 77 . A 45 GLU CA . 25976 1 221 . 1 1 36 36 GLU CB C 13 35.498 0.041 . 1 . 78 . A 45 GLU CB . 25976 1 222 . 1 1 36 36 GLU CG C 13 36.832 0.042 . 1 . 737 . A 45 GLU CG . 25976 1 223 . 1 1 36 36 GLU N N 15 119.045 0.03 . 1 . 75 . A 45 GLU N . 25976 1 224 . 1 1 37 37 ASP H H 1 8.954 0.004 . 1 . 81 . A 46 ASP H . 25976 1 225 . 1 1 37 37 ASP HA H 1 4.407 0.008 . 1 . 750 . A 46 ASP HA . 25976 1 226 . 1 1 37 37 ASP HB3 H 1 2.658 0.007 . 1 . 751 . A 46 ASP HB3 . 25976 1 227 . 1 1 37 37 ASP C C 13 177.678 0.009 . 1 . 84 . A 46 ASP C . 25976 1 228 . 1 1 37 37 ASP CA C 13 55.139 0.061 . 1 . 82 . A 46 ASP CA . 25976 1 229 . 1 1 37 37 ASP CB C 13 42.573 0.033 . 1 . 83 . A 46 ASP CB . 25976 1 230 . 1 1 37 37 ASP N N 15 124.236 0.037 . 1 . 80 . A 46 ASP N . 25976 1 231 . 1 1 38 38 SER H H 1 8.143 0.007 . 1 . 86 . A 47 SER H . 25976 1 232 . 1 1 38 38 SER HA H 1 3.780 0.006 . 1 . 752 . A 47 SER HA . 25976 1 233 . 1 1 38 38 SER HB3 H 1 3.775 0.007 . 1 . 753 . A 47 SER HB3 . 25976 1 234 . 1 1 38 38 SER C C 13 175.206 0.2 . 1 . 88 . A 47 SER C . 25976 1 235 . 1 1 38 38 SER CA C 13 62.139 0.091 . 1 . 87 . A 47 SER CA . 25976 1 236 . 1 1 38 38 SER CB C 13 63.590 0.118 . 1 . 416 . A 47 SER CB . 25976 1 237 . 1 1 38 38 SER N N 15 121.169 0.032 . 1 . 85 . A 47 SER N . 25976 1 238 . 1 1 39 39 LYS H H 1 8.531 0.007 . 1 . 90 . A 48 LYS H . 25976 1 239 . 1 1 39 39 LYS HA H 1 4.181 0.008 . 1 . 757 . A 48 LYS HA . 25976 1 240 . 1 1 39 39 LYS HB3 H 1 1.583 0.01 . 1 . 759 . A 48 LYS HB3 . 25976 1 241 . 1 1 39 39 LYS HG2 H 1 1.346 0.006 . 2 . 761 . A 48 LYS HG2 . 25976 1 242 . 1 1 39 39 LYS HG3 H 1 1.449 0.002 . 2 . 760 . A 48 LYS HG3 . 25976 1 243 . 1 1 39 39 LYS HD3 H 1 1.648 0.004 . 1 . 762 . A 48 LYS HD3 . 25976 1 244 . 1 1 39 39 LYS HE3 H 1 3.032 0.02 . 1 . 758 . A 48 LYS HE3 . 25976 1 245 . 1 1 39 39 LYS C C 13 176.731 0.009 . 1 . 93 . A 48 LYS C . 25976 1 246 . 1 1 39 39 LYS CA C 13 56.473 0.05 . 1 . 91 . A 48 LYS CA . 25976 1 247 . 1 1 39 39 LYS CB C 13 32.166 0.024 . 1 . 92 . A 48 LYS CB . 25976 1 248 . 1 1 39 39 LYS CG C 13 24.937 0.031 . 1 . 755 . A 48 LYS CG . 25976 1 249 . 1 1 39 39 LYS CD C 13 28.471 0.061 . 1 . 756 . A 48 LYS CD . 25976 1 250 . 1 1 39 39 LYS CE C 13 42.197 0.095 . 1 . 754 . A 48 LYS CE . 25976 1 251 . 1 1 39 39 LYS N N 15 120.494 0.031 . 1 . 89 . A 48 LYS N . 25976 1 252 . 1 1 40 40 HIS H H 1 8.076 0.005 . 1 . 95 . A 49 HIS H . 25976 1 253 . 1 1 40 40 HIS HA H 1 4.823 0.007 . 1 . 765 . A 49 HIS HA . 25976 1 254 . 1 1 40 40 HIS HB2 H 1 3.312 0.01 . 2 . 764 . A 49 HIS HB2 . 25976 1 255 . 1 1 40 40 HIS HB3 H 1 2.723 0.01 . 2 . 763 . A 49 HIS HB3 . 25976 1 256 . 1 1 40 40 HIS HD2 H 1 6.993 0.014 . 1 . 926 . A 49 HIS HD2 . 25976 1 257 . 1 1 40 40 HIS C C 13 174.080 0.004 . 1 . 98 . A 49 HIS C . 25976 1 258 . 1 1 40 40 HIS CA C 13 54.463 0.054 . 1 . 96 . A 49 HIS CA . 25976 1 259 . 1 1 40 40 HIS CB C 13 30.513 0.077 . 1 . 97 . A 49 HIS CB . 25976 1 260 . 1 1 40 40 HIS CD2 C 13 121.383 0.062 . 1 . 927 . A 49 HIS CD2 . 25976 1 261 . 1 1 40 40 HIS N N 15 119.765 0.024 . 1 . 94 . A 49 HIS N . 25976 1 262 . 1 1 41 41 LEU H H 1 8.104 0.009 . 1 . 100 . A 50 LEU H . 25976 1 263 . 1 1 41 41 LEU HA H 1 4.391 0.007 . 1 . 768 . A 50 LEU HA . 25976 1 264 . 1 1 41 41 LEU HB2 H 1 1.208 0.012 . 2 . 770 . A 50 LEU HB2 . 25976 1 265 . 1 1 41 41 LEU HB3 H 1 1.623 0.007 . 2 . 769 . A 50 LEU HB3 . 25976 1 266 . 1 1 41 41 LEU HG H 1 1.770 0.007 . 1 . 773 . A 50 LEU HG . 25976 1 267 . 1 1 41 41 LEU HD11 H 1 0.694 0.009 . 2 . 771 . A 50 LEU HD11 . 25976 1 268 . 1 1 41 41 LEU HD12 H 1 0.694 0.009 . 2 . 771 . A 50 LEU HD12 . 25976 1 269 . 1 1 41 41 LEU HD13 H 1 0.694 0.009 . 2 . 771 . A 50 LEU HD13 . 25976 1 270 . 1 1 41 41 LEU HD21 H 1 0.729 0.007 . 2 . 772 . A 50 LEU HD21 . 25976 1 271 . 1 1 41 41 LEU HD22 H 1 0.729 0.007 . 2 . 772 . A 50 LEU HD22 . 25976 1 272 . 1 1 41 41 LEU HD23 H 1 0.729 0.007 . 2 . 772 . A 50 LEU HD23 . 25976 1 273 . 1 1 41 41 LEU C C 13 178.274 0.017 . 1 . 103 . A 50 LEU C . 25976 1 274 . 1 1 41 41 LEU CA C 13 54.986 0.064 . 1 . 101 . A 50 LEU CA . 25976 1 275 . 1 1 41 41 LEU CB C 13 43.792 0.027 . 1 . 102 . A 50 LEU CB . 25976 1 276 . 1 1 41 41 LEU CG C 13 26.866 0.2 . 1 . 952 . A 50 LEU CG . 25976 1 277 . 1 1 41 41 LEU CD1 C 13 24.430 0.058 . 2 . 766 . A 50 LEU CD1 . 25976 1 278 . 1 1 41 41 LEU CD2 C 13 26.742 0.047 . 2 . 767 . A 50 LEU CD2 . 25976 1 279 . 1 1 41 41 LEU N N 15 122.597 0.013 . 1 . 99 . A 50 LEU N . 25976 1 280 . 1 1 42 42 ASP H H 1 9.120 0.006 . 1 . 105 . A 51 ASP H . 25976 1 281 . 1 1 42 42 ASP HA H 1 4.610 0.003 . 1 . 786 . A 51 ASP HA . 25976 1 282 . 1 1 42 42 ASP HB2 H 1 3.009 0.008 . 2 . 788 . A 51 ASP HB2 . 25976 1 283 . 1 1 42 42 ASP HB3 H 1 2.909 0.002 . 2 . 787 . A 51 ASP HB3 . 25976 1 284 . 1 1 42 42 ASP C C 13 177.862 0.2 . 1 . 417 . A 51 ASP C . 25976 1 285 . 1 1 42 42 ASP CA C 13 53.658 0.029 . 1 . 106 . A 51 ASP CA . 25976 1 286 . 1 1 42 42 ASP CB C 13 42.845 0.015 . 1 . 107 . A 51 ASP CB . 25976 1 287 . 1 1 42 42 ASP N N 15 122.896 0.033 . 1 . 104 . A 51 ASP N . 25976 1 288 . 1 1 43 43 LYS HA H 1 4.049 0.007 . 1 . 775 . A 52 LYS HA . 25976 1 289 . 1 1 43 43 LYS HB2 H 1 1.852 0.006 . 2 . 779 . A 52 LYS HB2 . 25976 1 290 . 1 1 43 43 LYS HB3 H 1 1.772 0.008 . 2 . 778 . A 52 LYS HB3 . 25976 1 291 . 1 1 43 43 LYS HG2 H 1 1.550 0.02 . 2 . 781 . A 52 LYS HG2 . 25976 1 292 . 1 1 43 43 LYS HG3 H 1 1.513 0.021 . 2 . 780 . A 52 LYS HG3 . 25976 1 293 . 1 1 43 43 LYS HD3 H 1 1.684 0.004 . 1 . 782 . A 52 LYS HD3 . 25976 1 294 . 1 1 43 43 LYS HE3 H 1 3.008 0.02 . 1 . 783 . A 52 LYS HE3 . 25976 1 295 . 1 1 43 43 LYS C C 13 179.744 0.2 . 1 . 110 . A 52 LYS C . 25976 1 296 . 1 1 43 43 LYS CA C 13 59.917 0.04 . 1 . 108 . A 52 LYS CA . 25976 1 297 . 1 1 43 43 LYS CB C 13 32.352 0.032 . 1 . 109 . A 52 LYS CB . 25976 1 298 . 1 1 43 43 LYS CG C 13 24.976 0.077 . 1 . 774 . A 52 LYS CG . 25976 1 299 . 1 1 43 43 LYS CD C 13 29.102 0.031 . 1 . 776 . A 52 LYS CD . 25976 1 300 . 1 1 43 43 LYS CE C 13 42.107 0.023 . 1 . 777 . A 52 LYS CE . 25976 1 301 . 1 1 44 44 GLY H H 1 8.954 0.01 . 1 . 112 . A 53 GLY H . 25976 1 302 . 1 1 44 44 GLY HA3 H 1 3.824 0.004 . 1 . 784 . A 53 GLY HA3 . 25976 1 303 . 1 1 44 44 GLY C C 13 175.747 0.2 . 1 . 114 . A 53 GLY C . 25976 1 304 . 1 1 44 44 GLY CA C 13 47.063 0.024 . 1 . 113 . A 53 GLY CA . 25976 1 305 . 1 1 44 44 GLY N N 15 109.880 0.028 . 1 . 111 . A 53 GLY N . 25976 1 306 . 1 1 45 45 THR H H 1 7.767 0.007 . 1 . 116 . A 54 THR H . 25976 1 307 . 1 1 45 45 THR HA H 1 3.769 0.008 . 1 . 557 . A 54 THR HA . 25976 1 308 . 1 1 45 45 THR HB H 1 4.208 0.005 . 1 . 715 . A 54 THR HB . 25976 1 309 . 1 1 45 45 THR HG21 H 1 1.110 0.007 . 1 . 713 . A 54 THR HG21 . 25976 1 310 . 1 1 45 45 THR HG22 H 1 1.110 0.007 . 1 . 713 . A 54 THR HG22 . 25976 1 311 . 1 1 45 45 THR HG23 H 1 1.110 0.007 . 1 . 713 . A 54 THR HG23 . 25976 1 312 . 1 1 45 45 THR C C 13 176.381 0.2 . 1 . 117 . A 54 THR C . 25976 1 313 . 1 1 45 45 THR CA C 13 66.341 0.116 . 1 . 714 . A 54 THR CA . 25976 1 314 . 1 1 45 45 THR CB C 13 67.011 0.076 . 1 . 785 . A 54 THR CB . 25976 1 315 . 1 1 45 45 THR CG2 C 13 24.069 0.042 . 1 . 556 . A 54 THR CG2 . 25976 1 316 . 1 1 45 45 THR N N 15 120.999 0.017 . 1 . 115 . A 54 THR N . 25976 1 317 . 1 1 46 46 THR H H 1 8.395 0.005 . 1 . 119 . A 55 THR H . 25976 1 318 . 1 1 46 46 THR HA H 1 3.638 0.005 . 1 . 711 . A 55 THR HA . 25976 1 319 . 1 1 46 46 THR HB H 1 4.216 0.006 . 1 . 712 . A 55 THR HB . 25976 1 320 . 1 1 46 46 THR HG21 H 1 1.158 0.005 . 1 . 710 . A 55 THR HG21 . 25976 1 321 . 1 1 46 46 THR HG22 H 1 1.158 0.005 . 1 . 710 . A 55 THR HG22 . 25976 1 322 . 1 1 46 46 THR HG23 H 1 1.158 0.005 . 1 . 710 . A 55 THR HG23 . 25976 1 323 . 1 1 46 46 THR C C 13 176.752 0.008 . 1 . 122 . A 55 THR C . 25976 1 324 . 1 1 46 46 THR CA C 13 67.820 0.157 . 1 . 120 . A 55 THR CA . 25976 1 325 . 1 1 46 46 THR CB C 13 68.398 0.167 . 1 . 121 . A 55 THR CB . 25976 1 326 . 1 1 46 46 THR CG2 C 13 21.827 0.055 . 1 . 709 . A 55 THR CG2 . 25976 1 327 . 1 1 46 46 THR N N 15 117.476 0.023 . 1 . 118 . A 55 THR N . 25976 1 328 . 1 1 47 47 ALA H H 1 7.712 0.004 . 1 . 124 . A 56 ALA H . 25976 1 329 . 1 1 47 47 ALA HA H 1 4.145 0.006 . 1 . 427 . A 56 ALA HA . 25976 1 330 . 1 1 47 47 ALA HB1 H 1 1.488 0.005 . 1 . 426 . A 56 ALA HB1 . 25976 1 331 . 1 1 47 47 ALA HB2 H 1 1.488 0.005 . 1 . 426 . A 56 ALA HB2 . 25976 1 332 . 1 1 47 47 ALA HB3 H 1 1.488 0.005 . 1 . 426 . A 56 ALA HB3 . 25976 1 333 . 1 1 47 47 ALA C C 13 180.153 0.009 . 1 . 127 . A 56 ALA C . 25976 1 334 . 1 1 47 47 ALA CA C 13 55.058 0.062 . 1 . 125 . A 56 ALA CA . 25976 1 335 . 1 1 47 47 ALA CB C 13 18.117 0.065 . 1 . 126 . A 56 ALA CB . 25976 1 336 . 1 1 47 47 ALA N N 15 124.635 0.029 . 1 . 123 . A 56 ALA N . 25976 1 337 . 1 1 48 48 LEU H H 1 7.936 0.004 . 1 . 129 . A 57 LEU H . 25976 1 338 . 1 1 48 48 LEU HA H 1 3.987 0.008 . 1 . 428 . A 57 LEU HA . 25976 1 339 . 1 1 48 48 LEU HB2 H 1 1.605 0.009 . 2 . 432 . A 57 LEU HB2 . 25976 1 340 . 1 1 48 48 LEU HB3 H 1 2.050 0.014 . 2 . 431 . A 57 LEU HB3 . 25976 1 341 . 1 1 48 48 LEU HG H 1 1.455 0.006 . 1 . 433 . A 57 LEU HG . 25976 1 342 . 1 1 48 48 LEU HD11 H 1 0.781 0.007 . 2 . 434 . A 57 LEU HD11 . 25976 1 343 . 1 1 48 48 LEU HD12 H 1 0.781 0.007 . 2 . 434 . A 57 LEU HD12 . 25976 1 344 . 1 1 48 48 LEU HD13 H 1 0.781 0.007 . 2 . 434 . A 57 LEU HD13 . 25976 1 345 . 1 1 48 48 LEU HD21 H 1 0.866 0.006 . 2 . 435 . A 57 LEU HD21 . 25976 1 346 . 1 1 48 48 LEU HD22 H 1 0.866 0.006 . 2 . 435 . A 57 LEU HD22 . 25976 1 347 . 1 1 48 48 LEU HD23 H 1 0.866 0.006 . 2 . 435 . A 57 LEU HD23 . 25976 1 348 . 1 1 48 48 LEU C C 13 177.757 0.032 . 1 . 132 . A 57 LEU C . 25976 1 349 . 1 1 48 48 LEU CA C 13 58.200 0.054 . 1 . 130 . A 57 LEU CA . 25976 1 350 . 1 1 48 48 LEU CB C 13 41.651 0.055 . 1 . 131 . A 57 LEU CB . 25976 1 351 . 1 1 48 48 LEU CG C 13 27.247 0.054 . 1 . 429 . A 57 LEU CG . 25976 1 352 . 1 1 48 48 LEU CD1 C 13 26.209 0.055 . 2 . 436 . A 57 LEU CD1 . 25976 1 353 . 1 1 48 48 LEU CD2 C 13 23.720 0.062 . 2 . 430 . A 57 LEU CD2 . 25976 1 354 . 1 1 48 48 LEU N N 15 121.884 0.02 . 1 . 128 . A 57 LEU N . 25976 1 355 . 1 1 49 49 LEU H H 1 8.199 0.004 . 1 . 134 . A 58 LEU H . 25976 1 356 . 1 1 49 49 LEU HA H 1 3.725 0.005 . 1 . 437 . A 58 LEU HA . 25976 1 357 . 1 1 49 49 LEU HB2 H 1 1.425 0.007 . 2 . 443 . A 58 LEU HB2 . 25976 1 358 . 1 1 49 49 LEU HB3 H 1 1.737 0.01 . 2 . 442 . A 58 LEU HB3 . 25976 1 359 . 1 1 49 49 LEU HG H 1 1.824 0.007 . 1 . 444 . A 58 LEU HG . 25976 1 360 . 1 1 49 49 LEU HD11 H 1 0.751 0.008 . 2 . 445 . A 58 LEU HD11 . 25976 1 361 . 1 1 49 49 LEU HD12 H 1 0.751 0.008 . 2 . 445 . A 58 LEU HD12 . 25976 1 362 . 1 1 49 49 LEU HD13 H 1 0.751 0.008 . 2 . 445 . A 58 LEU HD13 . 25976 1 363 . 1 1 49 49 LEU HD21 H 1 0.634 0.005 . 2 . 446 . A 58 LEU HD21 . 25976 1 364 . 1 1 49 49 LEU HD22 H 1 0.634 0.005 . 2 . 446 . A 58 LEU HD22 . 25976 1 365 . 1 1 49 49 LEU HD23 H 1 0.634 0.005 . 2 . 446 . A 58 LEU HD23 . 25976 1 366 . 1 1 49 49 LEU C C 13 179.366 0.024 . 1 . 137 . A 58 LEU C . 25976 1 367 . 1 1 49 49 LEU CA C 13 58.838 0.064 . 1 . 135 . A 58 LEU CA . 25976 1 368 . 1 1 49 49 LEU CB C 13 39.705 0.043 . 1 . 136 . A 58 LEU CB . 25976 1 369 . 1 1 49 49 LEU CG C 13 27.958 0.088 . 1 . 439 . A 58 LEU CG . 25976 1 370 . 1 1 49 49 LEU CD1 C 13 26.711 0.023 . 2 . 440 . A 58 LEU CD1 . 25976 1 371 . 1 1 49 49 LEU CD2 C 13 24.405 0.03 . 2 . 441 . A 58 LEU CD2 . 25976 1 372 . 1 1 49 49 LEU N N 15 117.847 0.02 . 1 . 133 . A 58 LEU N . 25976 1 373 . 1 1 50 50 GLY H H 1 7.828 0.005 . 1 . 139 . A 59 GLY H . 25976 1 374 . 1 1 50 50 GLY HA2 H 1 3.940 0.006 . 2 . 448 . A 59 GLY HA2 . 25976 1 375 . 1 1 50 50 GLY HA3 H 1 3.862 0.008 . 2 . 447 . A 59 GLY HA3 . 25976 1 376 . 1 1 50 50 GLY C C 13 177.768 0.007 . 1 . 141 . A 59 GLY C . 25976 1 377 . 1 1 50 50 GLY CA C 13 47.242 0.041 . 1 . 140 . A 59 GLY CA . 25976 1 378 . 1 1 50 50 GLY N N 15 104.903 0.036 . 1 . 138 . A 59 GLY N . 25976 1 379 . 1 1 51 51 LEU H H 1 7.832 0.005 . 1 . 143 . A 60 LEU H . 25976 1 380 . 1 1 51 51 LEU HA H 1 4.154 0.006 . 1 . 449 . A 60 LEU HA . 25976 1 381 . 1 1 51 51 LEU HB2 H 1 1.775 0.006 . 2 . 451 . A 60 LEU HB2 . 25976 1 382 . 1 1 51 51 LEU HB3 H 1 1.880 0.005 . 2 . 450 . A 60 LEU HB3 . 25976 1 383 . 1 1 51 51 LEU HG H 1 1.763 0.007 . 1 . 455 . A 60 LEU HG . 25976 1 384 . 1 1 51 51 LEU HD11 H 1 0.887 0.007 . 2 . 456 . A 60 LEU HD11 . 25976 1 385 . 1 1 51 51 LEU HD12 H 1 0.887 0.007 . 2 . 456 . A 60 LEU HD12 . 25976 1 386 . 1 1 51 51 LEU HD13 H 1 0.887 0.007 . 2 . 456 . A 60 LEU HD13 . 25976 1 387 . 1 1 51 51 LEU HD21 H 1 0.858 0.005 . 2 . 457 . A 60 LEU HD21 . 25976 1 388 . 1 1 51 51 LEU HD22 H 1 0.858 0.005 . 2 . 457 . A 60 LEU HD22 . 25976 1 389 . 1 1 51 51 LEU HD23 H 1 0.858 0.005 . 2 . 457 . A 60 LEU HD23 . 25976 1 390 . 1 1 51 51 LEU C C 13 178.425 0.019 . 1 . 146 . A 60 LEU C . 25976 1 391 . 1 1 51 51 LEU CA C 13 57.623 0.07 . 1 . 144 . A 60 LEU CA . 25976 1 392 . 1 1 51 51 LEU CB C 13 41.913 0.056 . 1 . 145 . A 60 LEU CB . 25976 1 393 . 1 1 51 51 LEU CG C 13 26.882 0.044 . 1 . 452 . A 60 LEU CG . 25976 1 394 . 1 1 51 51 LEU CD1 C 13 25.171 0.026 . 2 . 453 . A 60 LEU CD1 . 25976 1 395 . 1 1 51 51 LEU CD2 C 13 24.346 0.047 . 2 . 454 . A 60 LEU CD2 . 25976 1 396 . 1 1 51 51 LEU N N 15 124.696 0.015 . 1 . 142 . A 60 LEU N . 25976 1 397 . 1 1 52 52 LEU H H 1 7.317 0.006 . 1 . 148 . A 61 LEU H . 25976 1 398 . 1 1 52 52 LEU HA H 1 4.215 0.006 . 1 . 460 . A 61 LEU HA . 25976 1 399 . 1 1 52 52 LEU HB3 H 1 1.490 0.008 . 1 . 462 . A 61 LEU HB3 . 25976 1 400 . 1 1 52 52 LEU HG H 1 1.738 0.007 . 1 . 465 . A 61 LEU HG . 25976 1 401 . 1 1 52 52 LEU HD11 H 1 0.635 0.005 . 2 . 463 . A 61 LEU HD11 . 25976 1 402 . 1 1 52 52 LEU HD12 H 1 0.635 0.005 . 2 . 463 . A 61 LEU HD12 . 25976 1 403 . 1 1 52 52 LEU HD13 H 1 0.635 0.005 . 2 . 463 . A 61 LEU HD13 . 25976 1 404 . 1 1 52 52 LEU HD21 H 1 0.799 0.006 . 2 . 464 . A 61 LEU HD21 . 25976 1 405 . 1 1 52 52 LEU HD22 H 1 0.799 0.006 . 2 . 464 . A 61 LEU HD22 . 25976 1 406 . 1 1 52 52 LEU HD23 H 1 0.799 0.006 . 2 . 464 . A 61 LEU HD23 . 25976 1 407 . 1 1 52 52 LEU C C 13 175.504 0.002 . 1 . 151 . A 61 LEU C . 25976 1 408 . 1 1 52 52 LEU CA C 13 54.450 0.043 . 1 . 149 . A 61 LEU CA . 25976 1 409 . 1 1 52 52 LEU CB C 13 42.123 0.055 . 1 . 150 . A 61 LEU CB . 25976 1 410 . 1 1 52 52 LEU CG C 13 26.903 0.029 . 1 . 466 . A 61 LEU CG . 25976 1 411 . 1 1 52 52 LEU CD1 C 13 26.090 0.044 . 2 . 459 . A 61 LEU CD1 . 25976 1 412 . 1 1 52 52 LEU CD2 C 13 22.986 0.034 . 2 . 458 . A 61 LEU CD2 . 25976 1 413 . 1 1 52 52 LEU N N 15 117.053 0.027 . 1 . 147 . A 61 LEU N . 25976 1 414 . 1 1 53 53 ASN H H 1 7.902 0.003 . 1 . 153 . A 62 ASN H . 25976 1 415 . 1 1 53 53 ASN HA H 1 4.264 0.004 . 1 . 467 . A 62 ASN HA . 25976 1 416 . 1 1 53 53 ASN HB2 H 1 2.775 0.001 . 2 . 469 . A 62 ASN HB2 . 25976 1 417 . 1 1 53 53 ASN HB3 H 1 3.096 0.003 . 2 . 468 . A 62 ASN HB3 . 25976 1 418 . 1 1 53 53 ASN HD21 H 1 6.772 0.001 . 1 . 810 . A 62 ASN HD21 . 25976 1 419 . 1 1 53 53 ASN HD22 H 1 7.467 0.02 . 1 . 808 . A 62 ASN HD22 . 25976 1 420 . 1 1 53 53 ASN C C 13 173.973 0.026 . 1 . 156 . A 62 ASN C . 25976 1 421 . 1 1 53 53 ASN CA C 13 54.337 0.057 . 1 . 154 . A 62 ASN CA . 25976 1 422 . 1 1 53 53 ASN CB C 13 37.068 0.013 . 1 . 155 . A 62 ASN CB . 25976 1 423 . 1 1 53 53 ASN N N 15 115.144 0.04 . 1 . 152 . A 62 ASN N . 25976 1 424 . 1 1 53 53 ASN ND2 N 15 112.444 0.011 . 1 . 809 . A 62 ASN ND2 . 25976 1 425 . 1 1 54 54 ILE H H 1 7.849 0.003 . 1 . 158 . A 63 ILE H . 25976 1 426 . 1 1 54 54 ILE HA H 1 3.801 0.006 . 1 . 473 . A 63 ILE HA . 25976 1 427 . 1 1 54 54 ILE HB H 1 1.364 0.01 . 1 . 476 . A 63 ILE HB . 25976 1 428 . 1 1 54 54 ILE HG12 H 1 1.064 0.007 . 2 . 478 . A 63 ILE HG12 . 25976 1 429 . 1 1 54 54 ILE HG13 H 1 0.293 0.009 . 2 . 477 . A 63 ILE HG13 . 25976 1 430 . 1 1 54 54 ILE HG21 H 1 0.610 0.007 . 1 . 475 . A 63 ILE HG21 . 25976 1 431 . 1 1 54 54 ILE HG22 H 1 0.610 0.007 . 1 . 475 . A 63 ILE HG22 . 25976 1 432 . 1 1 54 54 ILE HG23 H 1 0.610 0.007 . 1 . 475 . A 63 ILE HG23 . 25976 1 433 . 1 1 54 54 ILE HD11 H 1 0.041 0.008 . 1 . 474 . A 63 ILE HD11 . 25976 1 434 . 1 1 54 54 ILE HD12 H 1 0.041 0.008 . 1 . 474 . A 63 ILE HD12 . 25976 1 435 . 1 1 54 54 ILE HD13 H 1 0.041 0.008 . 1 . 474 . A 63 ILE HD13 . 25976 1 436 . 1 1 54 54 ILE C C 13 175.453 0.009 . 1 . 161 . A 63 ILE C . 25976 1 437 . 1 1 54 54 ILE CA C 13 60.828 0.024 . 1 . 159 . A 63 ILE CA . 25976 1 438 . 1 1 54 54 ILE CB C 13 38.736 0.037 . 1 . 160 . A 63 ILE CB . 25976 1 439 . 1 1 54 54 ILE CG1 C 13 27.405 0.028 . 1 . 470 . A 63 ILE CG1 . 25976 1 440 . 1 1 54 54 ILE CG2 C 13 17.523 0.052 . 1 . 471 . A 63 ILE CG2 . 25976 1 441 . 1 1 54 54 ILE CD1 C 13 14.105 0.051 . 1 . 472 . A 63 ILE CD1 . 25976 1 442 . 1 1 54 54 ILE N N 15 120.188 0.062 . 1 . 157 . A 63 ILE N . 25976 1 443 . 1 1 55 55 LYS H H 1 8.433 0.003 . 1 . 163 . A 64 LYS H . 25976 1 444 . 1 1 55 55 LYS HA H 1 4.176 0.007 . 1 . 479 . A 64 LYS HA . 25976 1 445 . 1 1 55 55 LYS HB3 H 1 1.751 0.007 . 1 . 480 . A 64 LYS HB3 . 25976 1 446 . 1 1 55 55 LYS HG2 H 1 1.293 0.007 . 2 . 483 . A 64 LYS HG2 . 25976 1 447 . 1 1 55 55 LYS HG3 H 1 1.472 0.005 . 2 . 482 . A 64 LYS HG3 . 25976 1 448 . 1 1 55 55 LYS HD3 H 1 1.650 0.01 . 1 . 481 . A 64 LYS HD3 . 25976 1 449 . 1 1 55 55 LYS HE3 H 1 2.969 0.006 . 1 . 487 . A 64 LYS HE3 . 25976 1 450 . 1 1 55 55 LYS C C 13 177.287 0.024 . 1 . 166 . A 64 LYS C . 25976 1 451 . 1 1 55 55 LYS CA C 13 55.836 0.04 . 1 . 164 . A 64 LYS CA . 25976 1 452 . 1 1 55 55 LYS CB C 13 31.636 0.031 . 1 . 165 . A 64 LYS CB . 25976 1 453 . 1 1 55 55 LYS CG C 13 24.972 0.041 . 1 . 484 . A 64 LYS CG . 25976 1 454 . 1 1 55 55 LYS CD C 13 28.994 0.054 . 1 . 485 . A 64 LYS CD . 25976 1 455 . 1 1 55 55 LYS CE C 13 42.180 0.08 . 1 . 486 . A 64 LYS CE . 25976 1 456 . 1 1 55 55 LYS N N 15 127.862 0.021 . 1 . 162 . A 64 LYS N . 25976 1 457 . 1 1 56 56 ILE H H 1 8.204 0.003 . 1 . 168 . A 65 ILE H . 25976 1 458 . 1 1 56 56 ILE HA H 1 3.618 0.007 . 1 . 488 . A 65 ILE HA . 25976 1 459 . 1 1 56 56 ILE HB H 1 1.807 0.007 . 1 . 489 . A 65 ILE HB . 25976 1 460 . 1 1 56 56 ILE HG12 H 1 1.200 0.006 . 2 . 495 . A 65 ILE HG12 . 25976 1 461 . 1 1 56 56 ILE HG13 H 1 1.549 0.006 . 2 . 494 . A 65 ILE HG13 . 25976 1 462 . 1 1 56 56 ILE HG21 H 1 0.896 0.007 . 1 . 496 . A 65 ILE HG21 . 25976 1 463 . 1 1 56 56 ILE HG22 H 1 0.896 0.007 . 1 . 496 . A 65 ILE HG22 . 25976 1 464 . 1 1 56 56 ILE HG23 H 1 0.896 0.007 . 1 . 496 . A 65 ILE HG23 . 25976 1 465 . 1 1 56 56 ILE HD11 H 1 0.886 0.006 . 1 . 490 . A 65 ILE HD11 . 25976 1 466 . 1 1 56 56 ILE HD12 H 1 0.886 0.006 . 1 . 490 . A 65 ILE HD12 . 25976 1 467 . 1 1 56 56 ILE HD13 H 1 0.886 0.006 . 1 . 490 . A 65 ILE HD13 . 25976 1 468 . 1 1 56 56 ILE C C 13 178.941 0.013 . 1 . 171 . A 65 ILE C . 25976 1 469 . 1 1 56 56 ILE CA C 13 63.772 0.072 . 1 . 169 . A 65 ILE CA . 25976 1 470 . 1 1 56 56 ILE CB C 13 37.702 0.047 . 1 . 170 . A 65 ILE CB . 25976 1 471 . 1 1 56 56 ILE CG1 C 13 28.849 0.033 . 1 . 493 . A 65 ILE CG1 . 25976 1 472 . 1 1 56 56 ILE CG2 C 13 17.847 0.035 . 1 . 491 . A 65 ILE CG2 . 25976 1 473 . 1 1 56 56 ILE CD1 C 13 13.579 0.059 . 1 . 492 . A 65 ILE CD1 . 25976 1 474 . 1 1 56 56 ILE N N 15 126.017 0.029 . 1 . 167 . A 65 ILE N . 25976 1 475 . 1 1 57 57 GLY H H 1 8.691 0.009 . 1 . 173 . A 66 GLY H . 25976 1 476 . 1 1 57 57 GLY HA2 H 1 3.797 0.005 . 2 . 498 . A 66 GLY HA2 . 25976 1 477 . 1 1 57 57 GLY HA3 H 1 3.894 0.007 . 2 . 497 . A 66 GLY HA3 . 25976 1 478 . 1 1 57 57 GLY C C 13 174.214 0.024 . 1 . 175 . A 66 GLY C . 25976 1 479 . 1 1 57 57 GLY CA C 13 46.312 0.019 . 1 . 174 . A 66 GLY CA . 25976 1 480 . 1 1 57 57 GLY N N 15 107.186 0.052 . 1 . 172 . A 66 GLY N . 25976 1 481 . 1 1 58 58 ASP H H 1 7.283 0.006 . 1 . 177 . A 67 ASP H . 25976 1 482 . 1 1 58 58 ASP HA H 1 4.767 0.005 . 1 . 499 . A 67 ASP HA . 25976 1 483 . 1 1 58 58 ASP HB2 H 1 2.620 0.003 . 2 . 501 . A 67 ASP HB2 . 25976 1 484 . 1 1 58 58 ASP HB3 H 1 2.832 0.004 . 2 . 500 . A 67 ASP HB3 . 25976 1 485 . 1 1 58 58 ASP C C 13 176.561 0.006 . 1 . 180 . A 67 ASP C . 25976 1 486 . 1 1 58 58 ASP CA C 13 54.003 0.039 . 1 . 178 . A 67 ASP CA . 25976 1 487 . 1 1 58 58 ASP CB C 13 41.445 0.069 . 1 . 179 . A 67 ASP CB . 25976 1 488 . 1 1 58 58 ASP N N 15 117.539 0.018 . 1 . 176 . A 67 ASP N . 25976 1 489 . 1 1 59 59 LEU H H 1 7.315 0.004 . 1 . 182 . A 68 LEU H . 25976 1 490 . 1 1 59 59 LEU HA H 1 4.252 0.007 . 1 . 507 . A 68 LEU HA . 25976 1 491 . 1 1 59 59 LEU HB2 H 1 1.826 0.007 . 2 . 506 . A 68 LEU HB2 . 25976 1 492 . 1 1 59 59 LEU HB3 H 1 1.478 0.008 . 2 . 505 . A 68 LEU HB3 . 25976 1 493 . 1 1 59 59 LEU HG H 1 1.924 0.004 . 1 . 508 . A 68 LEU HG . 25976 1 494 . 1 1 59 59 LEU HD11 H 1 0.804 0.007 . 2 . 504 . A 68 LEU HD11 . 25976 1 495 . 1 1 59 59 LEU HD12 H 1 0.804 0.007 . 2 . 504 . A 68 LEU HD12 . 25976 1 496 . 1 1 59 59 LEU HD13 H 1 0.804 0.007 . 2 . 504 . A 68 LEU HD13 . 25976 1 497 . 1 1 59 59 LEU HD21 H 1 0.805 0.008 . 2 . 509 . A 68 LEU HD21 . 25976 1 498 . 1 1 59 59 LEU HD22 H 1 0.805 0.008 . 2 . 509 . A 68 LEU HD22 . 25976 1 499 . 1 1 59 59 LEU HD23 H 1 0.805 0.008 . 2 . 509 . A 68 LEU HD23 . 25976 1 500 . 1 1 59 59 LEU C C 13 176.584 0.009 . 1 . 185 . A 68 LEU C . 25976 1 501 . 1 1 59 59 LEU CA C 13 55.407 0.086 . 1 . 183 . A 68 LEU CA . 25976 1 502 . 1 1 59 59 LEU CB C 13 43.080 0.058 . 1 . 184 . A 68 LEU CB . 25976 1 503 . 1 1 59 59 LEU CG C 13 26.628 0.081 . 1 . 510 . A 68 LEU CG . 25976 1 504 . 1 1 59 59 LEU CD1 C 13 26.587 0.038 . 2 . 502 . A 68 LEU CD1 . 25976 1 505 . 1 1 59 59 LEU CD2 C 13 21.938 0.029 . 2 . 503 . A 68 LEU CD2 . 25976 1 506 . 1 1 59 59 LEU N N 15 119.643 0.016 . 1 . 181 . A 68 LEU N . 25976 1 507 . 1 1 60 60 LYS H H 1 8.231 0.004 . 1 . 187 . A 69 LYS H . 25976 1 508 . 1 1 60 60 LYS HA H 1 4.564 0.006 . 1 . 514 . A 69 LYS HA . 25976 1 509 . 1 1 60 60 LYS HB2 H 1 1.776 0.007 . 2 . 517 . A 69 LYS HB2 . 25976 1 510 . 1 1 60 60 LYS HB3 H 1 1.640 0.007 . 2 . 516 . A 69 LYS HB3 . 25976 1 511 . 1 1 60 60 LYS HG3 H 1 1.393 0.006 . 1 . 518 . A 69 LYS HG3 . 25976 1 512 . 1 1 60 60 LYS HD3 H 1 1.669 0.007 . 1 . 519 . A 69 LYS HD3 . 25976 1 513 . 1 1 60 60 LYS HE3 H 1 3.000 0.007 . 1 . 515 . A 69 LYS HE3 . 25976 1 514 . 1 1 60 60 LYS C C 13 175.953 0.008 . 1 . 190 . A 69 LYS C . 25976 1 515 . 1 1 60 60 LYS CA C 13 54.492 0.049 . 1 . 188 . A 69 LYS CA . 25976 1 516 . 1 1 60 60 LYS CB C 13 36.172 0.017 . 1 . 189 . A 69 LYS CB . 25976 1 517 . 1 1 60 60 LYS CG C 13 24.186 0.03 . 1 . 512 . A 69 LYS CG . 25976 1 518 . 1 1 60 60 LYS CD C 13 29.110 0.021 . 1 . 513 . A 69 LYS CD . 25976 1 519 . 1 1 60 60 LYS CE C 13 42.208 0.051 . 1 . 511 . A 69 LYS CE . 25976 1 520 . 1 1 60 60 LYS N N 15 119.274 0.013 . 1 . 186 . A 69 LYS N . 25976 1 521 . 1 1 61 61 ASP H H 1 8.795 0.003 . 1 . 192 . A 70 ASP H . 25976 1 522 . 1 1 61 61 ASP HA H 1 4.306 0.007 . 1 . 522 . A 70 ASP HA . 25976 1 523 . 1 1 61 61 ASP HB2 H 1 2.968 0.008 . 2 . 521 . A 70 ASP HB2 . 25976 1 524 . 1 1 61 61 ASP HB3 H 1 2.707 0.006 . 2 . 520 . A 70 ASP HB3 . 25976 1 525 . 1 1 61 61 ASP C C 13 175.812 0.015 . 1 . 195 . A 70 ASP C . 25976 1 526 . 1 1 61 61 ASP CA C 13 56.673 0.056 . 1 . 193 . A 70 ASP CA . 25976 1 527 . 1 1 61 61 ASP CB C 13 39.666 0.031 . 1 . 194 . A 70 ASP CB . 25976 1 528 . 1 1 61 61 ASP N N 15 117.025 0.03 . 1 . 191 . A 70 ASP N . 25976 1 529 . 1 1 62 62 LEU H H 1 9.094 0.005 . 1 . 197 . A 71 LEU H . 25976 1 530 . 1 1 62 62 LEU HA H 1 5.043 0.008 . 1 . 525 . A 71 LEU HA . 25976 1 531 . 1 1 62 62 LEU HB2 H 1 1.097 0.011 . 2 . 527 . A 71 LEU HB2 . 25976 1 532 . 1 1 62 62 LEU HB3 H 1 1.585 0.008 . 2 . 526 . A 71 LEU HB3 . 25976 1 533 . 1 1 62 62 LEU HG H 1 1.907 0.006 . 1 . 530 . A 71 LEU HG . 25976 1 534 . 1 1 62 62 LEU HD11 H 1 0.744 0.01 . 2 . 528 . A 71 LEU HD11 . 25976 1 535 . 1 1 62 62 LEU HD12 H 1 0.744 0.01 . 2 . 528 . A 71 LEU HD12 . 25976 1 536 . 1 1 62 62 LEU HD13 H 1 0.744 0.01 . 2 . 528 . A 71 LEU HD13 . 25976 1 537 . 1 1 62 62 LEU HD21 H 1 0.714 0.006 . 2 . 531 . A 71 LEU HD21 . 25976 1 538 . 1 1 62 62 LEU HD22 H 1 0.714 0.006 . 2 . 531 . A 71 LEU HD22 . 25976 1 539 . 1 1 62 62 LEU HD23 H 1 0.714 0.006 . 2 . 531 . A 71 LEU HD23 . 25976 1 540 . 1 1 62 62 LEU C C 13 178.179 0.006 . 1 . 200 . A 71 LEU C . 25976 1 541 . 1 1 62 62 LEU CA C 13 54.629 0.053 . 1 . 198 . A 71 LEU CA . 25976 1 542 . 1 1 62 62 LEU CB C 13 42.819 0.075 . 1 . 199 . A 71 LEU CB . 25976 1 543 . 1 1 62 62 LEU CG C 13 26.489 0.069 . 1 . 529 . A 71 LEU CG . 25976 1 544 . 1 1 62 62 LEU CD1 C 13 21.907 0.03 . 2 . 524 . A 71 LEU CD1 . 25976 1 545 . 1 1 62 62 LEU CD2 C 13 25.421 0.048 . 2 . 523 . A 71 LEU CD2 . 25976 1 546 . 1 1 62 62 LEU N N 15 119.937 0.012 . 1 . 196 . A 71 LEU N . 25976 1 547 . 1 1 63 63 VAL H H 1 9.477 0.006 . 1 . 202 . A 72 VAL H . 25976 1 548 . 1 1 63 63 VAL HA H 1 4.539 0.003 . 1 . 534 . A 72 VAL HA . 25976 1 549 . 1 1 63 63 VAL HB H 1 1.830 0.009 . 1 . 535 . A 72 VAL HB . 25976 1 550 . 1 1 63 63 VAL HG11 H 1 0.976 0.005 . 2 . 536 . A 72 VAL HG11 . 25976 1 551 . 1 1 63 63 VAL HG12 H 1 0.976 0.005 . 2 . 536 . A 72 VAL HG12 . 25976 1 552 . 1 1 63 63 VAL HG13 H 1 0.976 0.005 . 2 . 536 . A 72 VAL HG13 . 25976 1 553 . 1 1 63 63 VAL HG21 H 1 0.877 0.009 . 2 . 537 . A 72 VAL HG21 . 25976 1 554 . 1 1 63 63 VAL HG22 H 1 0.877 0.009 . 2 . 537 . A 72 VAL HG22 . 25976 1 555 . 1 1 63 63 VAL HG23 H 1 0.877 0.009 . 2 . 537 . A 72 VAL HG23 . 25976 1 556 . 1 1 63 63 VAL C C 13 175.428 0.033 . 1 . 205 . A 72 VAL C . 25976 1 557 . 1 1 63 63 VAL CA C 13 61.596 0.04 . 1 . 203 . A 72 VAL CA . 25976 1 558 . 1 1 63 63 VAL CB C 13 33.541 0.081 . 1 . 204 . A 72 VAL CB . 25976 1 559 . 1 1 63 63 VAL CG1 C 13 23.358 0.042 . 2 . 532 . A 72 VAL CG1 . 25976 1 560 . 1 1 63 63 VAL CG2 C 13 21.439 0.027 . 2 . 533 . A 72 VAL CG2 . 25976 1 561 . 1 1 63 63 VAL N N 15 123.545 0.036 . 1 . 201 . A 72 VAL N . 25976 1 562 . 1 1 64 64 GLY H H 1 9.131 0.006 . 1 . 207 . A 73 GLY H . 25976 1 563 . 1 1 64 64 GLY HA2 H 1 3.350 0.007 . 2 . 539 . A 73 GLY HA2 . 25976 1 564 . 1 1 64 64 GLY HA3 H 1 4.896 0.007 . 2 . 538 . A 73 GLY HA3 . 25976 1 565 . 1 1 64 64 GLY C C 13 170.946 0.017 . 1 . 209 . A 73 GLY C . 25976 1 566 . 1 1 64 64 GLY CA C 13 44.153 0.037 . 1 . 208 . A 73 GLY CA . 25976 1 567 . 1 1 64 64 GLY N N 15 114.447 0.024 . 1 . 206 . A 73 GLY N . 25976 1 568 . 1 1 65 65 LEU H H 1 8.672 0.006 . 1 . 211 . A 74 LEU H . 25976 1 569 . 1 1 65 65 LEU HA H 1 5.173 0.007 . 1 . 544 . A 74 LEU HA . 25976 1 570 . 1 1 65 65 LEU HB3 H 1 1.547 0.009 . 1 . 541 . A 74 LEU HB3 . 25976 1 571 . 1 1 65 65 LEU HG H 1 1.510 0.007 . 1 . 547 . A 74 LEU HG . 25976 1 572 . 1 1 65 65 LEU HD11 H 1 0.846 0.007 . 2 . 540 . A 74 LEU HD11 . 25976 1 573 . 1 1 65 65 LEU HD12 H 1 0.846 0.007 . 2 . 540 . A 74 LEU HD12 . 25976 1 574 . 1 1 65 65 LEU HD13 H 1 0.846 0.007 . 2 . 540 . A 74 LEU HD13 . 25976 1 575 . 1 1 65 65 LEU HD21 H 1 0.869 0.007 . 2 . 546 . A 74 LEU HD21 . 25976 1 576 . 1 1 65 65 LEU HD22 H 1 0.869 0.007 . 2 . 546 . A 74 LEU HD22 . 25976 1 577 . 1 1 65 65 LEU HD23 H 1 0.869 0.007 . 2 . 546 . A 74 LEU HD23 . 25976 1 578 . 1 1 65 65 LEU C C 13 176.538 0.004 . 1 . 214 . A 74 LEU C . 25976 1 579 . 1 1 65 65 LEU CA C 13 53.402 0.05 . 1 . 212 . A 74 LEU CA . 25976 1 580 . 1 1 65 65 LEU CB C 13 44.417 0.049 . 1 . 213 . A 74 LEU CB . 25976 1 581 . 1 1 65 65 LEU CG C 13 27.501 0.061 . 1 . 542 . A 74 LEU CG . 25976 1 582 . 1 1 65 65 LEU CD1 C 13 25.508 0.026 . 2 . 543 . A 74 LEU CD1 . 25976 1 583 . 1 1 65 65 LEU CD2 C 13 24.541 0.021 . 2 . 545 . A 74 LEU CD2 . 25976 1 584 . 1 1 65 65 LEU N N 15 124.102 0.016 . 1 . 210 . A 74 LEU N . 25976 1 585 . 1 1 66 66 ASN H H 1 8.565 0.011 . 1 . 216 . A 75 ASN H . 25976 1 586 . 1 1 66 66 ASN HA H 1 4.259 0.006 . 1 . 549 . A 75 ASN HA . 25976 1 587 . 1 1 66 66 ASN HB3 H 1 2.985 0.012 . 1 . 548 . A 75 ASN HB3 . 25976 1 588 . 1 1 66 66 ASN HD21 H 1 6.792 0.002 . 1 . 816 . A 75 ASN HD21 . 25976 1 589 . 1 1 66 66 ASN HD22 H 1 7.579 0.01 . 1 . 814 . A 75 ASN HD22 . 25976 1 590 . 1 1 66 66 ASN C C 13 174.055 0.029 . 1 . 219 . A 75 ASN C . 25976 1 591 . 1 1 66 66 ASN CA C 13 55.234 0.055 . 1 . 217 . A 75 ASN CA . 25976 1 592 . 1 1 66 66 ASN CB C 13 36.879 0.041 . 1 . 218 . A 75 ASN CB . 25976 1 593 . 1 1 66 66 ASN N N 15 118.084 0.042 . 1 . 215 . A 75 ASN N . 25976 1 594 . 1 1 66 66 ASN ND2 N 15 111.207 0.035 . 1 . 815 . A 75 ASN ND2 . 25976 1 595 . 1 1 67 67 CYS H H 1 9.255 0.004 . 1 . 221 . A 76 CYS H . 25976 1 596 . 1 1 67 67 CYS HA H 1 5.686 0.005 . 1 . 550 . A 76 CYS HA . 25976 1 597 . 1 1 67 67 CYS HB2 H 1 2.370 0.015 . 2 . 552 . A 76 CYS HB2 . 25976 1 598 . 1 1 67 67 CYS HB3 H 1 2.973 0.012 . 2 . 551 . A 76 CYS HB3 . 25976 1 599 . 1 1 67 67 CYS C C 13 174.388 0.075 . 1 . 224 . A 76 CYS C . 25976 1 600 . 1 1 67 67 CYS CA C 13 55.596 0.059 . 1 . 222 . A 76 CYS CA . 25976 1 601 . 1 1 67 67 CYS CB C 13 49.359 0.046 . 1 . 223 . A 76 CYS CB . 25976 1 602 . 1 1 67 67 CYS N N 15 121.600 0.021 . 1 . 220 . A 76 CYS N . 25976 1 603 . 1 1 68 68 SER H H 1 8.708 0.005 . 1 . 226 . A 77 SER H . 25976 1 604 . 1 1 68 68 SER HA H 1 5.277 0.003 . 1 . 553 . A 77 SER HA . 25976 1 605 . 1 1 68 68 SER HB2 H 1 3.820 0.007 . 2 . 555 . A 77 SER HB2 . 25976 1 606 . 1 1 68 68 SER HB3 H 1 3.940 0.005 . 2 . 554 . A 77 SER HB3 . 25976 1 607 . 1 1 68 68 SER C C 13 171.674 0.2 . 1 . 418 . A 77 SER C . 25976 1 608 . 1 1 68 68 SER CA C 13 55.585 0.054 . 1 . 227 . A 77 SER CA . 25976 1 609 . 1 1 68 68 SER CB C 13 65.134 0.024 . 1 . 228 . A 77 SER CB . 25976 1 610 . 1 1 68 68 SER N N 15 117.592 0.022 . 1 . 225 . A 77 SER N . 25976 1 611 . 1 1 69 69 PRO HA H 1 4.415 0.005 . 1 . 708 . A 78 PRO HA . 25976 1 612 . 1 1 69 69 PRO HB2 H 1 1.816 0.01 . 2 . 796 . A 78 PRO HB2 . 25976 1 613 . 1 1 69 69 PRO HB3 H 1 1.856 0.007 . 2 . 797 . A 78 PRO HB3 . 25976 1 614 . 1 1 69 69 PRO HG2 H 1 1.961 0.008 . 2 . 794 . A 78 PRO HG2 . 25976 1 615 . 1 1 69 69 PRO HG3 H 1 2.190 0.007 . 2 . 792 . A 78 PRO HG3 . 25976 1 616 . 1 1 69 69 PRO HD2 H 1 3.832 0.003 . 2 . 798 . A 78 PRO HD2 . 25976 1 617 . 1 1 69 69 PRO HD3 H 1 4.072 0.006 . 2 . 795 . A 78 PRO HD3 . 25976 1 618 . 1 1 69 69 PRO C C 13 176.613 0.2 . 1 . 229 . A 78 PRO C . 25976 1 619 . 1 1 69 69 PRO CA C 13 62.744 0.038 . 1 . 420 . A 78 PRO CA . 25976 1 620 . 1 1 69 69 PRO CB C 13 32.086 0.029 . 1 . 419 . A 78 PRO CB . 25976 1 621 . 1 1 69 69 PRO CG C 13 27.525 0.03 . 1 . 707 . A 78 PRO CG . 25976 1 622 . 1 1 69 69 PRO CD C 13 50.993 0.048 . 1 . 793 . A 78 PRO CD . 25976 1 623 . 1 1 70 70 LEU H H 1 8.833 0.004 . 1 . 231 . A 79 LEU H . 25976 1 624 . 1 1 70 70 LEU HA H 1 4.407 0.006 . 1 . 562 . A 79 LEU HA . 25976 1 625 . 1 1 70 70 LEU HB2 H 1 1.396 0.009 . 2 . 559 . A 79 LEU HB2 . 25976 1 626 . 1 1 70 70 LEU HB3 H 1 1.516 0.008 . 2 . 558 . A 79 LEU HB3 . 25976 1 627 . 1 1 70 70 LEU HG H 1 1.526 0.007 . 1 . 563 . A 79 LEU HG . 25976 1 628 . 1 1 70 70 LEU HD11 H 1 0.812 0.006 . 2 . 564 . A 79 LEU HD11 . 25976 1 629 . 1 1 70 70 LEU HD12 H 1 0.812 0.006 . 2 . 564 . A 79 LEU HD12 . 25976 1 630 . 1 1 70 70 LEU HD13 H 1 0.812 0.006 . 2 . 564 . A 79 LEU HD13 . 25976 1 631 . 1 1 70 70 LEU HD21 H 1 0.809 0.005 . 2 . 565 . A 79 LEU HD21 . 25976 1 632 . 1 1 70 70 LEU HD22 H 1 0.809 0.005 . 2 . 565 . A 79 LEU HD22 . 25976 1 633 . 1 1 70 70 LEU HD23 H 1 0.809 0.005 . 2 . 565 . A 79 LEU HD23 . 25976 1 634 . 1 1 70 70 LEU C C 13 176.704 0.061 . 1 . 234 . A 79 LEU C . 25976 1 635 . 1 1 70 70 LEU CA C 13 54.699 0.061 . 1 . 232 . A 79 LEU CA . 25976 1 636 . 1 1 70 70 LEU CB C 13 42.688 0.036 . 1 . 233 . A 79 LEU CB . 25976 1 637 . 1 1 70 70 LEU CG C 13 26.906 0.065 . 1 . 560 . A 79 LEU CG . 25976 1 638 . 1 1 70 70 LEU CD1 C 13 25.509 0.043 . 2 . 561 . A 79 LEU CD1 . 25976 1 639 . 1 1 70 70 LEU CD2 C 13 24.653 0.049 . 2 . 566 . A 79 LEU CD2 . 25976 1 640 . 1 1 70 70 LEU N N 15 125.291 0.014 . 1 . 230 . A 79 LEU N . 25976 1 641 . 1 1 71 71 SER H H 1 8.421 0.003 . 1 . 236 . A 80 SER H . 25976 1 642 . 1 1 71 71 SER HA H 1 4.418 0.008 . 1 . 567 . A 80 SER HA . 25976 1 643 . 1 1 71 71 SER HB2 H 1 3.825 0.005 . 2 . 569 . A 80 SER HB2 . 25976 1 644 . 1 1 71 71 SER HB3 H 1 3.855 0.01 . 2 . 568 . A 80 SER HB3 . 25976 1 645 . 1 1 71 71 SER C C 13 174.517 0.039 . 1 . 239 . A 80 SER C . 25976 1 646 . 1 1 71 71 SER CA C 13 58.480 0.08 . 1 . 237 . A 80 SER CA . 25976 1 647 . 1 1 71 71 SER CB C 13 63.642 0.1 . 1 . 238 . A 80 SER CB . 25976 1 648 . 1 1 71 71 SER N N 15 117.703 0.07 . 1 . 235 . A 80 SER N . 25976 1 649 . 1 1 72 72 VAL H H 1 8.041 0.004 . 1 . 241 . A 81 VAL H . 25976 1 650 . 1 1 72 72 VAL HA H 1 4.152 0.004 . 1 . 570 . A 81 VAL HA . 25976 1 651 . 1 1 72 72 VAL HB H 1 2.131 0.004 . 1 . 571 . A 81 VAL HB . 25976 1 652 . 1 1 72 72 VAL HG11 H 1 0.914 0.005 . 2 . 572 . A 81 VAL HG11 . 25976 1 653 . 1 1 72 72 VAL HG12 H 1 0.914 0.005 . 2 . 572 . A 81 VAL HG12 . 25976 1 654 . 1 1 72 72 VAL HG13 H 1 0.914 0.005 . 2 . 572 . A 81 VAL HG13 . 25976 1 655 . 1 1 72 72 VAL HG21 H 1 0.947 0.006 . 2 . 575 . A 81 VAL HG21 . 25976 1 656 . 1 1 72 72 VAL HG22 H 1 0.947 0.006 . 2 . 575 . A 81 VAL HG22 . 25976 1 657 . 1 1 72 72 VAL HG23 H 1 0.947 0.006 . 2 . 575 . A 81 VAL HG23 . 25976 1 658 . 1 1 72 72 VAL C C 13 175.920 0.058 . 1 . 244 . A 81 VAL C . 25976 1 659 . 1 1 72 72 VAL CA C 13 62.676 0.075 . 1 . 242 . A 81 VAL CA . 25976 1 660 . 1 1 72 72 VAL CB C 13 32.556 0.053 . 1 . 243 . A 81 VAL CB . 25976 1 661 . 1 1 72 72 VAL CG1 C 13 21.222 0.069 . 2 . 574 . A 81 VAL CG1 . 25976 1 662 . 1 1 72 72 VAL CG2 C 13 20.528 0.059 . 2 . 573 . A 81 VAL CG2 . 25976 1 663 . 1 1 72 72 VAL N N 15 120.888 0.066 . 1 . 240 . A 81 VAL N . 25976 1 664 . 1 1 73 73 ILE H H 1 7.981 0.004 . 1 . 246 . A 82 ILE H . 25976 1 665 . 1 1 73 73 ILE HA H 1 4.247 0.006 . 1 . 582 . A 82 ILE HA . 25976 1 666 . 1 1 73 73 ILE HB H 1 1.883 0.007 . 1 . 581 . A 82 ILE HB . 25976 1 667 . 1 1 73 73 ILE HG12 H 1 1.433 0.006 . 2 . 580 . A 82 ILE HG12 . 25976 1 668 . 1 1 73 73 ILE HG13 H 1 1.181 0.006 . 2 . 579 . A 82 ILE HG13 . 25976 1 669 . 1 1 73 73 ILE HG21 H 1 0.897 0.008 . 1 . 578 . A 82 ILE HG21 . 25976 1 670 . 1 1 73 73 ILE HG22 H 1 0.897 0.008 . 1 . 578 . A 82 ILE HG22 . 25976 1 671 . 1 1 73 73 ILE HG23 H 1 0.897 0.008 . 1 . 578 . A 82 ILE HG23 . 25976 1 672 . 1 1 73 73 ILE HD11 H 1 0.845 0.008 . 1 . 584 . A 82 ILE HD11 . 25976 1 673 . 1 1 73 73 ILE HD12 H 1 0.845 0.008 . 1 . 584 . A 82 ILE HD12 . 25976 1 674 . 1 1 73 73 ILE HD13 H 1 0.845 0.008 . 1 . 584 . A 82 ILE HD13 . 25976 1 675 . 1 1 73 73 ILE C C 13 176.548 0.052 . 1 . 249 . A 82 ILE C . 25976 1 676 . 1 1 73 73 ILE CA C 13 60.979 0.039 . 1 . 247 . A 82 ILE CA . 25976 1 677 . 1 1 73 73 ILE CB C 13 38.791 0.043 . 1 . 248 . A 82 ILE CB . 25976 1 678 . 1 1 73 73 ILE CG1 C 13 27.283 0.043 . 1 . 577 . A 82 ILE CG1 . 25976 1 679 . 1 1 73 73 ILE CG2 C 13 17.744 0.049 . 1 . 576 . A 82 ILE CG2 . 25976 1 680 . 1 1 73 73 ILE CD1 C 13 12.979 0.024 . 1 . 583 . A 82 ILE CD1 . 25976 1 681 . 1 1 73 73 ILE N N 15 121.989 0.014 . 1 . 245 . A 82 ILE N . 25976 1 682 . 1 1 74 74 GLY H H 1 8.322 0.003 . 1 . 251 . A 83 GLY H . 25976 1 683 . 1 1 74 74 GLY HA2 H 1 4.036 0.007 . 2 . 586 . A 83 GLY HA2 . 25976 1 684 . 1 1 74 74 GLY HA3 H 1 3.939 0.006 . 2 . 585 . A 83 GLY HA3 . 25976 1 685 . 1 1 74 74 GLY C C 13 174.300 0.002 . 1 . 253 . A 83 GLY C . 25976 1 686 . 1 1 74 74 GLY CA C 13 45.250 0.026 . 1 . 252 . A 83 GLY CA . 25976 1 687 . 1 1 74 74 GLY N N 15 112.310 0.026 . 1 . 250 . A 83 GLY N . 25976 1 688 . 1 1 75 75 VAL H H 1 8.047 0.004 . 1 . 255 . A 84 VAL H . 25976 1 689 . 1 1 75 75 VAL HA H 1 4.117 0.005 . 1 . 588 . A 84 VAL HA . 25976 1 690 . 1 1 75 75 VAL HB H 1 2.110 0.008 . 1 . 589 . A 84 VAL HB . 25976 1 691 . 1 1 75 75 VAL HG11 H 1 0.943 0.005 . 1 . 590 . A 84 VAL HG11 . 25976 1 692 . 1 1 75 75 VAL HG12 H 1 0.943 0.005 . 1 . 590 . A 84 VAL HG12 . 25976 1 693 . 1 1 75 75 VAL HG13 H 1 0.943 0.005 . 1 . 590 . A 84 VAL HG13 . 25976 1 694 . 1 1 75 75 VAL C C 13 177.030 0.01 . 1 . 258 . A 84 VAL C . 25976 1 695 . 1 1 75 75 VAL CA C 13 62.872 0.071 . 1 . 256 . A 84 VAL CA . 25976 1 696 . 1 1 75 75 VAL CB C 13 32.409 0.068 . 1 . 257 . A 84 VAL CB . 25976 1 697 . 1 1 75 75 VAL CG1 C 13 21.006 0.08 . 1 . 587 . A 84 VAL CG1 . 25976 1 698 . 1 1 75 75 VAL N N 15 119.617 0.026 . 1 . 254 . A 84 VAL N . 25976 1 699 . 1 1 76 76 GLY H H 1 8.582 0.004 . 1 . 260 . A 85 GLY H . 25976 1 700 . 1 1 76 76 GLY HA2 H 1 3.926 0.004 . 2 . 592 . A 85 GLY HA2 . 25976 1 701 . 1 1 76 76 GLY HA3 H 1 4.032 0.003 . 2 . 591 . A 85 GLY HA3 . 25976 1 702 . 1 1 76 76 GLY C C 13 174.822 0.023 . 1 . 262 . A 85 GLY C . 25976 1 703 . 1 1 76 76 GLY CA C 13 45.449 0.029 . 1 . 261 . A 85 GLY CA . 25976 1 704 . 1 1 76 76 GLY N N 15 112.452 0.033 . 1 . 259 . A 85 GLY N . 25976 1 705 . 1 1 77 77 GLY H H 1 8.191 0.006 . 1 . 264 . A 86 GLY H . 25976 1 706 . 1 1 77 77 GLY HA3 H 1 3.944 0.003 . 1 . 593 . A 86 GLY HA3 . 25976 1 707 . 1 1 77 77 GLY C C 13 173.892 0.006 . 1 . 266 . A 86 GLY C . 25976 1 708 . 1 1 77 77 GLY CA C 13 45.464 0.027 . 1 . 265 . A 86 GLY CA . 25976 1 709 . 1 1 77 77 GLY N N 15 108.370 0.023 . 1 . 263 . A 86 GLY N . 25976 1 710 . 1 1 78 78 ASN H H 1 8.290 0.005 . 1 . 268 . A 87 ASN H . 25976 1 711 . 1 1 78 78 ASN HA H 1 4.772 0.009 . 1 . 596 . A 87 ASN HA . 25976 1 712 . 1 1 78 78 ASN HB2 H 1 2.853 0.002 . 2 . 595 . A 87 ASN HB2 . 25976 1 713 . 1 1 78 78 ASN HB3 H 1 2.742 0.006 . 2 . 594 . A 87 ASN HB3 . 25976 1 714 . 1 1 78 78 ASN HD21 H 1 6.832 0.02 . 1 . 819 . A 87 ASN HD21 . 25976 1 715 . 1 1 78 78 ASN HD22 H 1 7.527 0.001 . 1 . 817 . A 87 ASN HD22 . 25976 1 716 . 1 1 78 78 ASN C C 13 174.899 0.008 . 1 . 271 . A 87 ASN C . 25976 1 717 . 1 1 78 78 ASN CA C 13 53.122 0.055 . 1 . 269 . A 87 ASN CA . 25976 1 718 . 1 1 78 78 ASN CB C 13 39.300 0.027 . 1 . 270 . A 87 ASN CB . 25976 1 719 . 1 1 78 78 ASN N N 15 118.333 0.009 . 1 . 267 . A 87 ASN N . 25976 1 720 . 1 1 78 78 ASN ND2 N 15 111.876 0.014 . 1 . 818 . A 87 ASN ND2 . 25976 1 721 . 1 1 79 79 SER H H 1 8.167 0.004 . 1 . 273 . A 88 SER H . 25976 1 722 . 1 1 79 79 SER HA H 1 4.433 0.02 . 1 . 598 . A 88 SER HA . 25976 1 723 . 1 1 79 79 SER HB3 H 1 3.846 0.007 . 1 . 597 . A 88 SER HB3 . 25976 1 724 . 1 1 79 79 SER C C 13 173.525 0.016 . 1 . 421 . A 88 SER C . 25976 1 725 . 1 1 79 79 SER CA C 13 58.302 0.045 . 1 . 274 . A 88 SER CA . 25976 1 726 . 1 1 79 79 SER CB C 13 64.107 0.108 . 1 . 275 . A 88 SER CB . 25976 1 727 . 1 1 79 79 SER N N 15 115.597 0.027 . 1 . 272 . A 88 SER N . 25976 1 728 . 1 1 80 80 CYS H H 1 8.580 0.006 . 1 . 953 . A 89 CYS H . 25976 1 729 . 1 1 80 80 CYS HA H 1 4.933 0.006 . 1 . 973 . A 89 CYS HA . 25976 1 730 . 1 1 80 80 CYS HB2 H 1 2.836 0.002 . 2 . 972 . A 89 CYS HB2 . 25976 1 731 . 1 1 80 80 CYS HB3 H 1 2.934 0.003 . 2 . 970 . A 89 CYS HB3 . 25976 1 732 . 1 1 80 80 CYS C C 13 173.891 0.2 . 1 . 956 . A 89 CYS C . 25976 1 733 . 1 1 80 80 CYS CA C 13 54.758 0.07 . 1 . 971 . A 89 CYS CA . 25976 1 734 . 1 1 80 80 CYS CB C 13 39.753 0.092 . 1 . 955 . A 89 CYS CB . 25976 1 735 . 1 1 80 80 CYS N N 15 120.150 0.046 . 1 . 954 . A 89 CYS N . 25976 1 736 . 1 1 81 81 SER HA H 1 4.617 0.003 . 1 . 791 . A 90 SER HA . 25976 1 737 . 1 1 81 81 SER HB2 H 1 4.048 0.004 . 2 . 790 . A 90 SER HB2 . 25976 1 738 . 1 1 81 81 SER HB3 H 1 3.932 0.001 . 2 . 789 . A 90 SER HB3 . 25976 1 739 . 1 1 81 81 SER C C 13 172.875 0.014 . 1 . 276 . A 90 SER C . 25976 1 740 . 1 1 81 81 SER CA C 13 58.492 0.023 . 1 . 423 . A 90 SER CA . 25976 1 741 . 1 1 81 81 SER CB C 13 63.300 0.039 . 1 . 422 . A 90 SER CB . 25976 1 742 . 1 1 82 82 ALA H H 1 7.451 0.004 . 1 . 278 . A 91 ALA H . 25976 1 743 . 1 1 82 82 ALA HA H 1 4.747 0.005 . 1 . 599 . A 91 ALA HA . 25976 1 744 . 1 1 82 82 ALA HB1 H 1 1.513 0.006 . 1 . 600 . A 91 ALA HB1 . 25976 1 745 . 1 1 82 82 ALA HB2 H 1 1.513 0.006 . 1 . 600 . A 91 ALA HB2 . 25976 1 746 . 1 1 82 82 ALA HB3 H 1 1.513 0.006 . 1 . 600 . A 91 ALA HB3 . 25976 1 747 . 1 1 82 82 ALA C C 13 175.258 0.003 . 1 . 281 . A 91 ALA C . 25976 1 748 . 1 1 82 82 ALA CA C 13 51.231 0.037 . 1 . 279 . A 91 ALA CA . 25976 1 749 . 1 1 82 82 ALA CB C 13 19.862 0.028 . 1 . 280 . A 91 ALA CB . 25976 1 750 . 1 1 82 82 ALA N N 15 127.737 0.021 . 1 . 277 . A 91 ALA N . 25976 1 751 . 1 1 83 83 GLN H H 1 8.035 0.002 . 1 . 283 . A 92 GLN H . 25976 1 752 . 1 1 83 83 GLN HA H 1 4.736 0.004 . 1 . 602 . A 92 GLN HA . 25976 1 753 . 1 1 83 83 GLN HB3 H 1 1.909 0.006 . 1 . 603 . A 92 GLN HB3 . 25976 1 754 . 1 1 83 83 GLN HG2 H 1 2.397 0.006 . 2 . 605 . A 92 GLN HG2 . 25976 1 755 . 1 1 83 83 GLN HG3 H 1 2.311 0.007 . 2 . 604 . A 92 GLN HG3 . 25976 1 756 . 1 1 83 83 GLN HE21 H 1 6.925 0.001 . 1 . 804 . A 92 GLN HE21 . 25976 1 757 . 1 1 83 83 GLN HE22 H 1 7.643 0.002 . 1 . 802 . A 92 GLN HE22 . 25976 1 758 . 1 1 83 83 GLN C C 13 175.263 0.017 . 1 . 286 . A 92 GLN C . 25976 1 759 . 1 1 83 83 GLN CA C 13 55.029 0.073 . 1 . 284 . A 92 GLN CA . 25976 1 760 . 1 1 83 83 GLN CB C 13 30.595 0.086 . 1 . 285 . A 92 GLN CB . 25976 1 761 . 1 1 83 83 GLN CG C 13 33.201 0.022 . 1 . 601 . A 92 GLN CG . 25976 1 762 . 1 1 83 83 GLN N N 15 120.718 0.025 . 1 . 282 . A 92 GLN N . 25976 1 763 . 1 1 83 83 GLN NE2 N 15 113.121 0.024 . 1 . 803 . A 92 GLN NE2 . 25976 1 764 . 1 1 84 84 THR H H 1 8.371 0.004 . 1 . 288 . A 93 THR H . 25976 1 765 . 1 1 84 84 THR HA H 1 5.508 0.005 . 1 . 290 . A 93 THR HA . 25976 1 766 . 1 1 84 84 THR HB H 1 4.024 0.006 . 1 . 292 . A 93 THR HB . 25976 1 767 . 1 1 84 84 THR HG21 H 1 1.144 0.007 . 1 . 294 . A 93 THR HG21 . 25976 1 768 . 1 1 84 84 THR HG22 H 1 1.144 0.007 . 1 . 294 . A 93 THR HG22 . 25976 1 769 . 1 1 84 84 THR HG23 H 1 1.144 0.007 . 1 . 294 . A 93 THR HG23 . 25976 1 770 . 1 1 84 84 THR C C 13 176.212 0.024 . 1 . 295 . A 93 THR C . 25976 1 771 . 1 1 84 84 THR CA C 13 59.575 0.05 . 1 . 289 . A 93 THR CA . 25976 1 772 . 1 1 84 84 THR CB C 13 69.108 0.033 . 1 . 291 . A 93 THR CB . 25976 1 773 . 1 1 84 84 THR CG2 C 13 23.028 0.063 . 1 . 293 . A 93 THR CG2 . 25976 1 774 . 1 1 84 84 THR N N 15 116.067 0.014 . 1 . 287 . A 93 THR N . 25976 1 775 . 1 1 85 85 VAL H H 1 9.131 0.004 . 1 . 297 . A 94 VAL H . 25976 1 776 . 1 1 85 85 VAL HA H 1 5.329 0.005 . 1 . 299 . A 94 VAL HA . 25976 1 777 . 1 1 85 85 VAL HB H 1 2.044 0.006 . 1 . 301 . A 94 VAL HB . 25976 1 778 . 1 1 85 85 VAL HG11 H 1 0.583 0.003 . 2 . 606 . A 94 VAL HG11 . 25976 1 779 . 1 1 85 85 VAL HG12 H 1 0.583 0.003 . 2 . 606 . A 94 VAL HG12 . 25976 1 780 . 1 1 85 85 VAL HG13 H 1 0.583 0.003 . 2 . 606 . A 94 VAL HG13 . 25976 1 781 . 1 1 85 85 VAL HG21 H 1 0.816 0.007 . 2 . 608 . A 94 VAL HG21 . 25976 1 782 . 1 1 85 85 VAL HG22 H 1 0.816 0.007 . 2 . 608 . A 94 VAL HG22 . 25976 1 783 . 1 1 85 85 VAL HG23 H 1 0.816 0.007 . 2 . 608 . A 94 VAL HG23 . 25976 1 784 . 1 1 85 85 VAL C C 13 174.193 0.114 . 1 . 302 . A 94 VAL C . 25976 1 785 . 1 1 85 85 VAL CA C 13 58.615 0.018 . 1 . 298 . A 94 VAL CA . 25976 1 786 . 1 1 85 85 VAL CB C 13 37.091 0.013 . 1 . 300 . A 94 VAL CB . 25976 1 787 . 1 1 85 85 VAL CG1 C 13 22.612 0.021 . 2 . 607 . A 94 VAL CG1 . 25976 1 788 . 1 1 85 85 VAL CG2 C 13 20.922 0.025 . 2 . 609 . A 94 VAL CG2 . 25976 1 789 . 1 1 85 85 VAL N N 15 117.840 0.032 . 1 . 296 . A 94 VAL N . 25976 1 790 . 1 1 86 86 CYS H H 1 8.916 0.005 . 1 . 304 . A 95 CYS H . 25976 1 791 . 1 1 86 86 CYS HA H 1 5.473 0.004 . 1 . 610 . A 95 CYS HA . 25976 1 792 . 1 1 86 86 CYS HB2 H 1 2.707 0.006 . 2 . 612 . A 95 CYS HB2 . 25976 1 793 . 1 1 86 86 CYS HB3 H 1 3.394 0.008 . 2 . 611 . A 95 CYS HB3 . 25976 1 794 . 1 1 86 86 CYS C C 13 176.120 0.087 . 1 . 307 . A 95 CYS C . 25976 1 795 . 1 1 86 86 CYS CA C 13 53.103 0.056 . 1 . 305 . A 95 CYS CA . 25976 1 796 . 1 1 86 86 CYS CB C 13 39.540 0.029 . 1 . 306 . A 95 CYS CB . 25976 1 797 . 1 1 86 86 CYS N N 15 119.641 0.035 . 1 . 303 . A 95 CYS N . 25976 1 798 . 1 1 87 87 CYS H H 1 10.358 0.004 . 1 . 309 . A 96 CYS H . 25976 1 799 . 1 1 87 87 CYS HA H 1 5.538 0.007 . 1 . 613 . A 96 CYS HA . 25976 1 800 . 1 1 87 87 CYS HB2 H 1 3.582 0.005 . 2 . 615 . A 96 CYS HB2 . 25976 1 801 . 1 1 87 87 CYS HB3 H 1 2.658 0.01 . 2 . 614 . A 96 CYS HB3 . 25976 1 802 . 1 1 87 87 CYS C C 13 173.501 0.022 . 1 . 312 . A 96 CYS C . 25976 1 803 . 1 1 87 87 CYS CA C 13 55.079 0.038 . 1 . 310 . A 96 CYS CA . 25976 1 804 . 1 1 87 87 CYS CB C 13 47.953 0.043 . 1 . 311 . A 96 CYS CB . 25976 1 805 . 1 1 87 87 CYS N N 15 120.431 0.026 . 1 . 308 . A 96 CYS N . 25976 1 806 . 1 1 88 88 THR H H 1 8.388 0.003 . 1 . 314 . A 97 THR H . 25976 1 807 . 1 1 88 88 THR HA H 1 4.336 0.005 . 1 . 619 . A 97 THR HA . 25976 1 808 . 1 1 88 88 THR HB H 1 4.330 0.004 . 1 . 618 . A 97 THR HB . 25976 1 809 . 1 1 88 88 THR HG21 H 1 1.376 0.007 . 1 . 617 . A 97 THR HG21 . 25976 1 810 . 1 1 88 88 THR HG22 H 1 1.376 0.007 . 1 . 617 . A 97 THR HG22 . 25976 1 811 . 1 1 88 88 THR HG23 H 1 1.376 0.007 . 1 . 617 . A 97 THR HG23 . 25976 1 812 . 1 1 88 88 THR C C 13 175.163 0.026 . 1 . 317 . A 97 THR C . 25976 1 813 . 1 1 88 88 THR CA C 13 63.740 0.092 . 1 . 315 . A 97 THR CA . 25976 1 814 . 1 1 88 88 THR CB C 13 69.455 0.051 . 1 . 316 . A 97 THR CB . 25976 1 815 . 1 1 88 88 THR CG2 C 13 21.783 0.047 . 1 . 616 . A 97 THR CG2 . 25976 1 816 . 1 1 88 88 THR N N 15 113.690 0.034 . 1 . 313 . A 97 THR N . 25976 1 817 . 1 1 89 89 ASN H H 1 7.655 0.005 . 1 . 319 . A 98 ASN H . 25976 1 818 . 1 1 89 89 ASN HA H 1 4.856 0.006 . 1 . 620 . A 98 ASN HA . 25976 1 819 . 1 1 89 89 ASN HB2 H 1 2.453 0.005 . 2 . 622 . A 98 ASN HB2 . 25976 1 820 . 1 1 89 89 ASN HB3 H 1 2.313 0.005 . 2 . 621 . A 98 ASN HB3 . 25976 1 821 . 1 1 89 89 ASN HD21 H 1 6.839 0.004 . 1 . 807 . A 98 ASN HD21 . 25976 1 822 . 1 1 89 89 ASN HD22 H 1 7.361 0.008 . 1 . 805 . A 98 ASN HD22 . 25976 1 823 . 1 1 89 89 ASN C C 13 172.836 0.013 . 1 . 322 . A 98 ASN C . 25976 1 824 . 1 1 89 89 ASN CA C 13 52.967 0.039 . 1 . 320 . A 98 ASN CA . 25976 1 825 . 1 1 89 89 ASN CB C 13 42.940 0.035 . 1 . 321 . A 98 ASN CB . 25976 1 826 . 1 1 89 89 ASN N N 15 116.829 0.022 . 1 . 318 . A 98 ASN N . 25976 1 827 . 1 1 89 89 ASN ND2 N 15 111.963 0.005 . 1 . 806 . A 98 ASN ND2 . 25976 1 828 . 1 1 90 90 THR H H 1 8.103 0.003 . 1 . 324 . A 99 THR H . 25976 1 829 . 1 1 90 90 THR HA H 1 4.763 0.008 . 1 . 624 . A 99 THR HA . 25976 1 830 . 1 1 90 90 THR HB H 1 3.498 0.007 . 1 . 625 . A 99 THR HB . 25976 1 831 . 1 1 90 90 THR HG21 H 1 1.016 0.006 . 1 . 626 . A 99 THR HG21 . 25976 1 832 . 1 1 90 90 THR HG22 H 1 1.016 0.006 . 1 . 626 . A 99 THR HG22 . 25976 1 833 . 1 1 90 90 THR HG23 H 1 1.016 0.006 . 1 . 626 . A 99 THR HG23 . 25976 1 834 . 1 1 90 90 THR C C 13 170.968 0.051 . 1 . 327 . A 99 THR C . 25976 1 835 . 1 1 90 90 THR CA C 13 59.337 0.093 . 1 . 325 . A 99 THR CA . 25976 1 836 . 1 1 90 90 THR CB C 13 70.656 0.062 . 1 . 326 . A 99 THR CB . 25976 1 837 . 1 1 90 90 THR CG2 C 13 18.304 0.05 . 1 . 623 . A 99 THR CG2 . 25976 1 838 . 1 1 90 90 THR N N 15 115.407 0.018 . 1 . 323 . A 99 THR N . 25976 1 839 . 1 1 91 91 TYR H H 1 8.994 0.006 . 1 . 329 . A 100 TYR H . 25976 1 840 . 1 1 91 91 TYR HA H 1 4.725 0.007 . 1 . 628 . A 100 TYR HA . 25976 1 841 . 1 1 91 91 TYR HB3 H 1 2.919 0.007 . 1 . 627 . A 100 TYR HB3 . 25976 1 842 . 1 1 91 91 TYR HD1 H 1 7.054 0.005 . 1 . 825 . A 100 TYR HD1 . 25976 1 843 . 1 1 91 91 TYR HD2 H 1 7.054 0.005 . 1 . 825 . A 100 TYR HD2 . 25976 1 844 . 1 1 91 91 TYR HE1 H 1 6.648 0.005 . 1 . 868 . A 100 TYR HE1 . 25976 1 845 . 1 1 91 91 TYR HE2 H 1 6.648 0.005 . 1 . 868 . A 100 TYR HE2 . 25976 1 846 . 1 1 91 91 TYR C C 13 175.720 0.018 . 1 . 332 . A 100 TYR C . 25976 1 847 . 1 1 91 91 TYR CA C 13 57.225 0.083 . 1 . 330 . A 100 TYR CA . 25976 1 848 . 1 1 91 91 TYR CB C 13 41.404 0.083 . 1 . 331 . A 100 TYR CB . 25976 1 849 . 1 1 91 91 TYR CD1 C 13 133.123 0.067 . 1 . 826 . A 100 TYR CD1 . 25976 1 850 . 1 1 91 91 TYR CD2 C 13 133.123 0.067 . 1 . 826 . A 100 TYR CD2 . 25976 1 851 . 1 1 91 91 TYR CE1 C 13 117.833 0.059 . 1 . 867 . A 100 TYR CE1 . 25976 1 852 . 1 1 91 91 TYR CE2 C 13 117.833 0.059 . 1 . 867 . A 100 TYR CE2 . 25976 1 853 . 1 1 91 91 TYR N N 15 125.220 0.033 . 1 . 328 . A 100 TYR N . 25976 1 854 . 1 1 92 92 GLN H H 1 9.299 0.007 . 1 . 334 . A 101 GLN H . 25976 1 855 . 1 1 92 92 GLN HA H 1 3.697 0.007 . 1 . 630 . A 101 GLN HA . 25976 1 856 . 1 1 92 92 GLN HB2 H 1 2.460 0.009 . 2 . 633 . A 101 GLN HB2 . 25976 1 857 . 1 1 92 92 GLN HB3 H 1 1.924 0.01 . 2 . 632 . A 101 GLN HB3 . 25976 1 858 . 1 1 92 92 GLN HG3 H 1 2.439 0.005 . 1 . 631 . A 101 GLN HG3 . 25976 1 859 . 1 1 92 92 GLN HE21 H 1 7.535 0.002 . 1 . 822 . A 101 GLN HE21 . 25976 1 860 . 1 1 92 92 GLN HE22 H 1 6.915 0.003 . 1 . 820 . A 101 GLN HE22 . 25976 1 861 . 1 1 92 92 GLN C C 13 175.819 0.001 . 1 . 337 . A 101 GLN C . 25976 1 862 . 1 1 92 92 GLN CA C 13 55.981 0.098 . 1 . 335 . A 101 GLN CA . 25976 1 863 . 1 1 92 92 GLN CB C 13 26.875 0.036 . 1 . 336 . A 101 GLN CB . 25976 1 864 . 1 1 92 92 GLN CG C 13 33.724 0.033 . 1 . 629 . A 101 GLN CG . 25976 1 865 . 1 1 92 92 GLN N N 15 120.427 0.032 . 1 . 333 . A 101 GLN N . 25976 1 866 . 1 1 92 92 GLN NE2 N 15 111.178 0.021 . 1 . 821 . A 101 GLN NE2 . 25976 1 867 . 1 1 93 93 HIS H H 1 8.680 0.01 . 1 . 339 . A 102 HIS H . 25976 1 868 . 1 1 93 93 HIS HA H 1 4.057 0.007 . 1 . 635 . A 102 HIS HA . 25976 1 869 . 1 1 93 93 HIS HB3 H 1 3.301 0.004 . 1 . 634 . A 102 HIS HB3 . 25976 1 870 . 1 1 93 93 HIS HD2 H 1 6.877 0.007 . 1 . 928 . A 102 HIS HD2 . 25976 1 871 . 1 1 93 93 HIS C C 13 175.541 0.033 . 1 . 342 . A 102 HIS C . 25976 1 872 . 1 1 93 93 HIS CA C 13 57.320 0.045 . 1 . 340 . A 102 HIS CA . 25976 1 873 . 1 1 93 93 HIS CB C 13 27.660 0.04 . 1 . 341 . A 102 HIS CB . 25976 1 874 . 1 1 93 93 HIS CD2 C 13 120.084 0.008 . 1 . 929 . A 102 HIS CD2 . 25976 1 875 . 1 1 93 93 HIS N N 15 113.194 0.023 . 1 . 338 . A 102 HIS N . 25976 1 876 . 1 1 94 94 GLY H H 1 7.379 0.004 . 1 . 344 . A 103 GLY H . 25976 1 877 . 1 1 94 94 GLY HA2 H 1 4.688 0.005 . 2 . 637 . A 103 GLY HA2 . 25976 1 878 . 1 1 94 94 GLY HA3 H 1 3.375 0.005 . 2 . 636 . A 103 GLY HA3 . 25976 1 879 . 1 1 94 94 GLY C C 13 174.016 0.033 . 1 . 346 . A 103 GLY C . 25976 1 880 . 1 1 94 94 GLY CA C 13 44.535 0.026 . 1 . 345 . A 103 GLY CA . 25976 1 881 . 1 1 94 94 GLY N N 15 105.254 0.023 . 1 . 343 . A 103 GLY N . 25976 1 882 . 1 1 95 95 LEU H H 1 7.721 0.005 . 1 . 348 . A 104 LEU H . 25976 1 883 . 1 1 95 95 LEU HA H 1 4.086 0.005 . 1 . 640 . A 104 LEU HA . 25976 1 884 . 1 1 95 95 LEU HB2 H 1 1.882 0.004 . 2 . 643 . A 104 LEU HB2 . 25976 1 885 . 1 1 95 95 LEU HB3 H 1 1.670 0.007 . 2 . 642 . A 104 LEU HB3 . 25976 1 886 . 1 1 95 95 LEU HG H 1 1.755 0.017 . 1 . 646 . A 104 LEU HG . 25976 1 887 . 1 1 95 95 LEU HD11 H 1 0.927 0.013 . 2 . 641 . A 104 LEU HD11 . 25976 1 888 . 1 1 95 95 LEU HD12 H 1 0.927 0.013 . 2 . 641 . A 104 LEU HD12 . 25976 1 889 . 1 1 95 95 LEU HD13 H 1 0.927 0.013 . 2 . 641 . A 104 LEU HD13 . 25976 1 890 . 1 1 95 95 LEU HD21 H 1 0.994 0.008 . 2 . 645 . A 104 LEU HD21 . 25976 1 891 . 1 1 95 95 LEU HD22 H 1 0.994 0.008 . 2 . 645 . A 104 LEU HD22 . 25976 1 892 . 1 1 95 95 LEU HD23 H 1 0.994 0.008 . 2 . 645 . A 104 LEU HD23 . 25976 1 893 . 1 1 95 95 LEU C C 13 177.291 0.021 . 1 . 351 . A 104 LEU C . 25976 1 894 . 1 1 95 95 LEU CA C 13 59.238 0.065 . 1 . 349 . A 104 LEU CA . 25976 1 895 . 1 1 95 95 LEU CB C 13 43.479 0.03 . 1 . 350 . A 104 LEU CB . 25976 1 896 . 1 1 95 95 LEU CG C 13 26.953 0.062 . 1 . 644 . A 104 LEU CG . 25976 1 897 . 1 1 95 95 LEU CD1 C 13 26.135 0.036 . 2 . 639 . A 104 LEU CD1 . 25976 1 898 . 1 1 95 95 LEU CD2 C 13 23.656 0.034 . 2 . 638 . A 104 LEU CD2 . 25976 1 899 . 1 1 95 95 LEU N N 15 123.413 0.019 . 1 . 347 . A 104 LEU N . 25976 1 900 . 1 1 96 96 VAL H H 1 7.048 0.004 . 1 . 353 . A 105 VAL H . 25976 1 901 . 1 1 96 96 VAL HA H 1 4.857 0.008 . 1 . 649 . A 105 VAL HA . 25976 1 902 . 1 1 96 96 VAL HB H 1 1.623 0.007 . 1 . 648 . A 105 VAL HB . 25976 1 903 . 1 1 96 96 VAL HG11 H 1 0.727 0.015 . 2 . 647 . A 105 VAL HG11 . 25976 1 904 . 1 1 96 96 VAL HG12 H 1 0.727 0.015 . 2 . 647 . A 105 VAL HG12 . 25976 1 905 . 1 1 96 96 VAL HG13 H 1 0.727 0.015 . 2 . 647 . A 105 VAL HG13 . 25976 1 906 . 1 1 96 96 VAL HG21 H 1 0.670 0.006 . 2 . 652 . A 105 VAL HG21 . 25976 1 907 . 1 1 96 96 VAL HG22 H 1 0.670 0.006 . 2 . 652 . A 105 VAL HG22 . 25976 1 908 . 1 1 96 96 VAL HG23 H 1 0.670 0.006 . 2 . 652 . A 105 VAL HG23 . 25976 1 909 . 1 1 96 96 VAL C C 13 172.544 0.008 . 1 . 356 . A 105 VAL C . 25976 1 910 . 1 1 96 96 VAL CA C 13 60.271 0.059 . 1 . 354 . A 105 VAL CA . 25976 1 911 . 1 1 96 96 VAL CB C 13 36.466 0.075 . 1 . 355 . A 105 VAL CB . 25976 1 912 . 1 1 96 96 VAL CG1 C 13 22.201 0.032 . 2 . 650 . A 105 VAL CG1 . 25976 1 913 . 1 1 96 96 VAL CG2 C 13 21.382 0.03 . 2 . 651 . A 105 VAL CG2 . 25976 1 914 . 1 1 96 96 VAL N N 15 110.031 0.026 . 1 . 352 . A 105 VAL N . 25976 1 915 . 1 1 97 97 ASN H H 1 9.590 0.005 . 1 . 358 . A 106 ASN H . 25976 1 916 . 1 1 97 97 ASN HA H 1 5.368 0.007 . 1 . 653 . A 106 ASN HA . 25976 1 917 . 1 1 97 97 ASN HB2 H 1 2.503 0.007 . 2 . 655 . A 106 ASN HB2 . 25976 1 918 . 1 1 97 97 ASN HB3 H 1 2.400 0.013 . 2 . 654 . A 106 ASN HB3 . 25976 1 919 . 1 1 97 97 ASN C C 13 175.047 0.009 . 1 . 361 . A 106 ASN C . 25976 1 920 . 1 1 97 97 ASN CA C 13 50.333 0.041 . 1 . 359 . A 106 ASN CA . 25976 1 921 . 1 1 97 97 ASN CB C 13 40.818 0.018 . 1 . 360 . A 106 ASN CB . 25976 1 922 . 1 1 97 97 ASN N N 15 124.906 0.041 . 1 . 357 . A 106 ASN N . 25976 1 923 . 1 1 98 98 VAL H H 1 8.203 0.005 . 1 . 363 . A 107 VAL H . 25976 1 924 . 1 1 98 98 VAL HA H 1 5.150 0.007 . 1 . 660 . A 107 VAL HA . 25976 1 925 . 1 1 98 98 VAL HB H 1 2.517 0.009 . 1 . 658 . A 107 VAL HB . 25976 1 926 . 1 1 98 98 VAL HG11 H 1 0.908 0.005 . 2 . 659 . A 107 VAL HG11 . 25976 1 927 . 1 1 98 98 VAL HG12 H 1 0.908 0.005 . 2 . 659 . A 107 VAL HG12 . 25976 1 928 . 1 1 98 98 VAL HG13 H 1 0.908 0.005 . 2 . 659 . A 107 VAL HG13 . 25976 1 929 . 1 1 98 98 VAL HG21 H 1 0.930 0.009 . 2 . 661 . A 107 VAL HG21 . 25976 1 930 . 1 1 98 98 VAL HG22 H 1 0.930 0.009 . 2 . 661 . A 107 VAL HG22 . 25976 1 931 . 1 1 98 98 VAL HG23 H 1 0.930 0.009 . 2 . 661 . A 107 VAL HG23 . 25976 1 932 . 1 1 98 98 VAL C C 13 175.466 0.057 . 1 . 366 . A 107 VAL C . 25976 1 933 . 1 1 98 98 VAL CA C 13 58.809 0.056 . 1 . 364 . A 107 VAL CA . 25976 1 934 . 1 1 98 98 VAL CB C 13 34.880 0.074 . 1 . 365 . A 107 VAL CB . 25976 1 935 . 1 1 98 98 VAL CG1 C 13 21.789 0.04 . 2 . 656 . A 107 VAL CG1 . 25976 1 936 . 1 1 98 98 VAL CG2 C 13 20.069 0.028 . 2 . 657 . A 107 VAL CG2 . 25976 1 937 . 1 1 98 98 VAL N N 15 110.548 0.023 . 1 . 362 . A 107 VAL N . 25976 1 938 . 1 1 99 99 GLY H H 1 9.464 0.005 . 1 . 368 . A 108 GLY H . 25976 1 939 . 1 1 99 99 GLY HA2 H 1 4.409 0.003 . 2 . 370 . A 108 GLY HA2 . 25976 1 940 . 1 1 99 99 GLY HA3 H 1 4.216 0.007 . 2 . 371 . A 108 GLY HA3 . 25976 1 941 . 1 1 99 99 GLY C C 13 177.417 0.001 . 1 . 372 . A 108 GLY C . 25976 1 942 . 1 1 99 99 GLY CA C 13 46.949 0.025 . 1 . 369 . A 108 GLY CA . 25976 1 943 . 1 1 99 99 GLY N N 15 111.898 0.052 . 1 . 367 . A 108 GLY N . 25976 1 944 . 1 1 100 100 CYS H H 1 9.135 0.003 . 1 . 924 . A 109 CYS H . 25976 1 945 . 1 1 100 100 CYS HA H 1 6.217 0.004 . 1 . 662 . A 109 CYS HA . 25976 1 946 . 1 1 100 100 CYS HB2 H 1 2.792 0.006 . 2 . 664 . A 109 CYS HB2 . 25976 1 947 . 1 1 100 100 CYS HB3 H 1 2.603 0.006 . 2 . 663 . A 109 CYS HB3 . 25976 1 948 . 1 1 100 100 CYS C C 13 173.914 0.003 . 1 . 376 . A 109 CYS C . 25976 1 949 . 1 1 100 100 CYS CA C 13 55.686 0.037 . 1 . 374 . A 109 CYS CA . 25976 1 950 . 1 1 100 100 CYS CB C 13 42.874 0.047 . 1 . 375 . A 109 CYS CB . 25976 1 951 . 1 1 100 100 CYS N N 15 117.793 0.024 . 1 . 373 . A 109 CYS N . 25976 1 952 . 1 1 101 101 THR H H 1 9.698 0.005 . 1 . 378 . A 110 THR H . 25976 1 953 . 1 1 101 101 THR HA H 1 4.967 0.008 . 1 . 665 . A 110 THR HA . 25976 1 954 . 1 1 101 101 THR HB H 1 4.264 0.005 . 1 . 666 . A 110 THR HB . 25976 1 955 . 1 1 101 101 THR HG21 H 1 1.200 0.009 . 1 . 667 . A 110 THR HG21 . 25976 1 956 . 1 1 101 101 THR HG22 H 1 1.200 0.009 . 1 . 667 . A 110 THR HG22 . 25976 1 957 . 1 1 101 101 THR HG23 H 1 1.200 0.009 . 1 . 667 . A 110 THR HG23 . 25976 1 958 . 1 1 101 101 THR C C 13 171.757 0.2 . 1 . 424 . A 110 THR C . 25976 1 959 . 1 1 101 101 THR CA C 13 57.669 0.061 . 1 . 379 . A 110 THR CA . 25976 1 960 . 1 1 101 101 THR CB C 13 70.498 0.087 . 1 . 380 . A 110 THR CB . 25976 1 961 . 1 1 101 101 THR CG2 C 13 22.655 0.096 . 1 . 668 . A 110 THR CG2 . 25976 1 962 . 1 1 101 101 THR N N 15 113.215 0.04 . 1 . 377 . A 110 THR N . 25976 1 963 . 1 1 102 102 PRO HA H 1 4.718 0.01 . 1 . 702 . A 111 PRO HA . 25976 1 964 . 1 1 102 102 PRO HB2 H 1 2.404 0.004 . 2 . 700 . A 111 PRO HB2 . 25976 1 965 . 1 1 102 102 PRO HB3 H 1 1.913 0.006 . 2 . 701 . A 111 PRO HB3 . 25976 1 966 . 1 1 102 102 PRO HG2 H 1 1.901 0.007 . 2 . 705 . A 111 PRO HG2 . 25976 1 967 . 1 1 102 102 PRO HG3 H 1 2.131 0.006 . 2 . 704 . A 111 PRO HG3 . 25976 1 968 . 1 1 102 102 PRO HD2 H 1 3.899 0.02 . 2 . 958 . A 111 PRO HD2 . 25976 1 969 . 1 1 102 102 PRO HD3 H 1 3.744 0.006 . 2 . 706 . A 111 PRO HD3 . 25976 1 970 . 1 1 102 102 PRO C C 13 176.165 0.2 . 1 . 383 . A 111 PRO C . 25976 1 971 . 1 1 102 102 PRO CA C 13 63.643 0.097 . 1 . 381 . A 111 PRO CA . 25976 1 972 . 1 1 102 102 PRO CB C 13 32.810 0.042 . 1 . 382 . A 111 PRO CB . 25976 1 973 . 1 1 102 102 PRO CG C 13 27.790 0.018 . 1 . 699 . A 111 PRO CG . 25976 1 974 . 1 1 102 102 PRO CD C 13 51.218 0.033 . 1 . 703 . A 111 PRO CD . 25976 1 975 . 1 1 103 103 ILE H H 1 8.055 0.004 . 1 . 385 . A 112 ILE H . 25976 1 976 . 1 1 103 103 ILE HA H 1 4.535 0.005 . 1 . 669 . A 112 ILE HA . 25976 1 977 . 1 1 103 103 ILE HB H 1 1.846 0.011 . 1 . 673 . A 112 ILE HB . 25976 1 978 . 1 1 103 103 ILE HG12 H 1 0.873 0.007 . 2 . 675 . A 112 ILE HG12 . 25976 1 979 . 1 1 103 103 ILE HG13 H 1 1.461 0.005 . 2 . 674 . A 112 ILE HG13 . 25976 1 980 . 1 1 103 103 ILE HG21 H 1 0.770 0.008 . 1 . 676 . A 112 ILE HG21 . 25976 1 981 . 1 1 103 103 ILE HG22 H 1 0.770 0.008 . 1 . 676 . A 112 ILE HG22 . 25976 1 982 . 1 1 103 103 ILE HG23 H 1 0.770 0.008 . 1 . 676 . A 112 ILE HG23 . 25976 1 983 . 1 1 103 103 ILE HD11 H 1 0.743 0.007 . 1 . 677 . A 112 ILE HD11 . 25976 1 984 . 1 1 103 103 ILE HD12 H 1 0.743 0.007 . 1 . 677 . A 112 ILE HD12 . 25976 1 985 . 1 1 103 103 ILE HD13 H 1 0.743 0.007 . 1 . 677 . A 112 ILE HD13 . 25976 1 986 . 1 1 103 103 ILE C C 13 172.492 0.006 . 1 . 388 . A 112 ILE C . 25976 1 987 . 1 1 103 103 ILE CA C 13 59.468 0.05 . 1 . 386 . A 112 ILE CA . 25976 1 988 . 1 1 103 103 ILE CB C 13 41.356 0.035 . 1 . 387 . A 112 ILE CB . 25976 1 989 . 1 1 103 103 ILE CG1 C 13 28.931 0.029 . 1 . 670 . A 112 ILE CG1 . 25976 1 990 . 1 1 103 103 ILE CG2 C 13 16.703 0.031 . 1 . 672 . A 112 ILE CG2 . 25976 1 991 . 1 1 103 103 ILE CD1 C 13 14.123 0.019 . 1 . 671 . A 112 ILE CD1 . 25976 1 992 . 1 1 103 103 ILE N N 15 121.228 0.046 . 1 . 384 . A 112 ILE N . 25976 1 993 . 1 1 104 104 ASN H H 1 8.484 0.009 . 1 . 390 . A 113 ASN H . 25976 1 994 . 1 1 104 104 ASN HA H 1 5.004 0.002 . 1 . 680 . A 113 ASN HA . 25976 1 995 . 1 1 104 104 ASN HB2 H 1 2.869 0.003 . 2 . 679 . A 113 ASN HB2 . 25976 1 996 . 1 1 104 104 ASN HB3 H 1 2.670 0.003 . 2 . 678 . A 113 ASN HB3 . 25976 1 997 . 1 1 104 104 ASN HD21 H 1 7.574 0.02 . 1 . 813 . A 113 ASN HD21 . 25976 1 998 . 1 1 104 104 ASN HD22 H 1 6.877 0.002 . 1 . 811 . A 113 ASN HD22 . 25976 1 999 . 1 1 104 104 ASN C C 13 175.264 0.004 . 1 . 393 . A 113 ASN C . 25976 1 1000 . 1 1 104 104 ASN CA C 13 51.945 0.046 . 1 . 391 . A 113 ASN CA . 25976 1 1001 . 1 1 104 104 ASN CB C 13 38.812 0.059 . 1 . 392 . A 113 ASN CB . 25976 1 1002 . 1 1 104 104 ASN N N 15 125.779 0.037 . 1 . 389 . A 113 ASN N . 25976 1 1003 . 1 1 104 104 ASN ND2 N 15 112.319 0.01 . 1 . 812 . A 113 ASN ND2 . 25976 1 1004 . 1 1 105 105 ILE H H 1 8.628 0.003 . 1 . 395 . A 114 ILE H . 25976 1 1005 . 1 1 105 105 ILE HA H 1 4.343 0.006 . 1 . 684 . A 114 ILE HA . 25976 1 1006 . 1 1 105 105 ILE HB H 1 2.085 0.005 . 1 . 685 . A 114 ILE HB . 25976 1 1007 . 1 1 105 105 ILE HG12 H 1 1.203 0.008 . 2 . 687 . A 114 ILE HG12 . 25976 1 1008 . 1 1 105 105 ILE HG13 H 1 1.373 0.007 . 2 . 686 . A 114 ILE HG13 . 25976 1 1009 . 1 1 105 105 ILE HG21 H 1 0.888 0.007 . 1 . 688 . A 114 ILE HG21 . 25976 1 1010 . 1 1 105 105 ILE HG22 H 1 0.888 0.007 . 1 . 688 . A 114 ILE HG22 . 25976 1 1011 . 1 1 105 105 ILE HG23 H 1 0.888 0.007 . 1 . 688 . A 114 ILE HG23 . 25976 1 1012 . 1 1 105 105 ILE HD11 H 1 0.849 0.006 . 1 . 689 . A 114 ILE HD11 . 25976 1 1013 . 1 1 105 105 ILE HD12 H 1 0.849 0.006 . 1 . 689 . A 114 ILE HD12 . 25976 1 1014 . 1 1 105 105 ILE HD13 H 1 0.849 0.006 . 1 . 689 . A 114 ILE HD13 . 25976 1 1015 . 1 1 105 105 ILE C C 13 176.193 0.027 . 1 . 398 . A 114 ILE C . 25976 1 1016 . 1 1 105 105 ILE CA C 13 60.881 0.045 . 1 . 396 . A 114 ILE CA . 25976 1 1017 . 1 1 105 105 ILE CB C 13 38.409 0.066 . 1 . 397 . A 114 ILE CB . 25976 1 1018 . 1 1 105 105 ILE CG1 C 13 26.832 0.036 . 1 . 681 . A 114 ILE CG1 . 25976 1 1019 . 1 1 105 105 ILE CG2 C 13 18.493 0.044 . 1 . 682 . A 114 ILE CG2 . 25976 1 1020 . 1 1 105 105 ILE CD1 C 13 13.928 0.043 . 1 . 683 . A 114 ILE CD1 . 25976 1 1021 . 1 1 105 105 ILE N N 15 120.852 0.011 . 1 . 394 . A 114 ILE N . 25976 1 1022 . 1 1 106 106 GLY H H 1 8.308 0.004 . 1 . 400 . A 115 GLY H . 25976 1 1023 . 1 1 106 106 GLY HA2 H 1 3.975 0.01 . 2 . 957 . A 115 GLY HA2 . 25976 1 1024 . 1 1 106 106 GLY HA3 H 1 3.916 0.011 . 2 . 690 . A 115 GLY HA3 . 25976 1 1025 . 1 1 106 106 GLY C C 13 173.062 0.006 . 1 . 402 . A 115 GLY C . 25976 1 1026 . 1 1 106 106 GLY CA C 13 45.486 0.017 . 1 . 401 . A 115 GLY CA . 25976 1 1027 . 1 1 106 106 GLY N N 15 111.312 0.02 . 1 . 399 . A 115 GLY N . 25976 1 1028 . 1 1 107 107 LEU H H 1 7.627 0.002 . 1 . 404 . A 116 LEU H . 25976 1 1029 . 1 1 107 107 LEU HA H 1 4.208 0.006 . 1 . 691 . A 116 LEU HA . 25976 1 1030 . 1 1 107 107 LEU HB3 H 1 1.587 0.006 . 1 . 695 . A 116 LEU HB3 . 25976 1 1031 . 1 1 107 107 LEU HG H 1 1.587 0.004 . 1 . 696 . A 116 LEU HG . 25976 1 1032 . 1 1 107 107 LEU HD11 H 1 0.905 0.006 . 2 . 697 . A 116 LEU HD11 . 25976 1 1033 . 1 1 107 107 LEU HD12 H 1 0.905 0.006 . 2 . 697 . A 116 LEU HD12 . 25976 1 1034 . 1 1 107 107 LEU HD13 H 1 0.905 0.006 . 2 . 697 . A 116 LEU HD13 . 25976 1 1035 . 1 1 107 107 LEU HD21 H 1 0.871 0.003 . 2 . 698 . A 116 LEU HD21 . 25976 1 1036 . 1 1 107 107 LEU HD22 H 1 0.871 0.003 . 2 . 698 . A 116 LEU HD22 . 25976 1 1037 . 1 1 107 107 LEU HD23 H 1 0.871 0.003 . 2 . 698 . A 116 LEU HD23 . 25976 1 1038 . 1 1 107 107 LEU C C 13 182.429 0.2 . 1 . 425 . A 116 LEU C . 25976 1 1039 . 1 1 107 107 LEU CA C 13 56.630 0.058 . 1 . 405 . A 116 LEU CA . 25976 1 1040 . 1 1 107 107 LEU CB C 13 43.484 0.023 . 1 . 406 . A 116 LEU CB . 25976 1 1041 . 1 1 107 107 LEU CG C 13 27.298 0.025 . 1 . 692 . A 116 LEU CG . 25976 1 1042 . 1 1 107 107 LEU CD1 C 13 25.440 0.04 . 2 . 693 . A 116 LEU CD1 . 25976 1 1043 . 1 1 107 107 LEU CD2 C 13 23.632 0.03 . 2 . 694 . A 116 LEU CD2 . 25976 1 1044 . 1 1 107 107 LEU N N 15 126.885 0.061 . 1 . 403 . A 116 LEU N . 25976 1 stop_ save_