data_25630 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25630 _Entry.Title ; NMR spatial structure of nonspecific lipid transfer protein from the dill Anethum graveolens L. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-19 _Entry.Accession_date 2015-05-19 _Entry.Last_release_date 2016-03-28 _Entry.Original_release_date 2016-03-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 Konstantin Mineev . S. . . 25630 2 Daria Melnikova . N. . . 25630 3 Ekaterina Finkina . I. . . 25630 4 Alexander Arseniev . S. . . 25630 5 Tatiana Ovchinnikova . V. . . 25630 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' . 25630 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 25630 dill . 25630 'lipid transfer protein' . 25630 'plant defense protein' . 25630 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25630 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 25630 '15N chemical shifts' 102 25630 '1H chemical shifts' 626 25630 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 . . 2016-03-28 . original BMRB . 25630 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N2Z 'BMRB Entry Tracking System' 25630 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25630 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26680443 _Citation.Full_citation . _Citation.Title ; A novel lipid transfer protein from the dill Anethum graveolens L.: isolation, structure, heterologous expression, and functional characteristics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 1 _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 59 _Citation.Page_last 66 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Daria Melnikova . N. . . 25630 1 2 Konstantin Mineev . S. . . 25630 1 3 Ekaterina Finkina . I. . . 25630 1 4 Alexander Arseniev . S. . . 25630 1 5 Tatiana Ovchinnikova . V. . . 25630 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25630 _Assembly.ID 1 _Assembly.Name 'nonspecific lipid transport protein from the dill Anethum graveolens L.' _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 entity 1 $entity A . yes native no no . . . 25630 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 . 1 CYS 3 3 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 25630 1 2 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . 25630 1 3 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 75 75 SG . . . . . . . . . . 25630 1 4 disulfide single . 1 . 1 CYS 50 50 SG . 1 . 1 CYS 89 89 SG . . . . . . . . . . 25630 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25630 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; LTCGQVTGALAPCLGYLRTA GSVPVPLTCCNGVRGLNNAA RTTIDRRTACNCLKQTANAI ADLNLNAAAGLPAKCGVNIP YKISPSTDCNRVV ; _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 93 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9541.108 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LEU . 25630 1 2 2 THR . 25630 1 3 3 CYS . 25630 1 4 4 GLY . 25630 1 5 5 GLN . 25630 1 6 6 VAL . 25630 1 7 7 THR . 25630 1 8 8 GLY . 25630 1 9 9 ALA . 25630 1 10 10 LEU . 25630 1 11 11 ALA . 25630 1 12 12 PRO . 25630 1 13 13 CYS . 25630 1 14 14 LEU . 25630 1 15 15 GLY . 25630 1 16 16 TYR . 25630 1 17 17 LEU . 25630 1 18 18 ARG . 25630 1 19 19 THR . 25630 1 20 20 ALA . 25630 1 21 21 GLY . 25630 1 22 22 SER . 25630 1 23 23 VAL . 25630 1 24 24 PRO . 25630 1 25 25 VAL . 25630 1 26 26 PRO . 25630 1 27 27 LEU . 25630 1 28 28 THR . 25630 1 29 29 CYS . 25630 1 30 30 CYS . 25630 1 31 31 ASN . 25630 1 32 32 GLY . 25630 1 33 33 VAL . 25630 1 34 34 ARG . 25630 1 35 35 GLY . 25630 1 36 36 LEU . 25630 1 37 37 ASN . 25630 1 38 38 ASN . 25630 1 39 39 ALA . 25630 1 40 40 ALA . 25630 1 41 41 ARG . 25630 1 42 42 THR . 25630 1 43 43 THR . 25630 1 44 44 ILE . 25630 1 45 45 ASP . 25630 1 46 46 ARG . 25630 1 47 47 ARG . 25630 1 48 48 THR . 25630 1 49 49 ALA . 25630 1 50 50 CYS . 25630 1 51 51 ASN . 25630 1 52 52 CYS . 25630 1 53 53 LEU . 25630 1 54 54 LYS . 25630 1 55 55 GLN . 25630 1 56 56 THR . 25630 1 57 57 ALA . 25630 1 58 58 ASN . 25630 1 59 59 ALA . 25630 1 60 60 ILE . 25630 1 61 61 ALA . 25630 1 62 62 ASP . 25630 1 63 63 LEU . 25630 1 64 64 ASN . 25630 1 65 65 LEU . 25630 1 66 66 ASN . 25630 1 67 67 ALA . 25630 1 68 68 ALA . 25630 1 69 69 ALA . 25630 1 70 70 GLY . 25630 1 71 71 LEU . 25630 1 72 72 PRO . 25630 1 73 73 ALA . 25630 1 74 74 LYS . 25630 1 75 75 CYS . 25630 1 76 76 GLY . 25630 1 77 77 VAL . 25630 1 78 78 ASN . 25630 1 79 79 ILE . 25630 1 80 80 PRO . 25630 1 81 81 TYR . 25630 1 82 82 LYS . 25630 1 83 83 ILE . 25630 1 84 84 SER . 25630 1 85 85 PRO . 25630 1 86 86 SER . 25630 1 87 87 THR . 25630 1 88 88 ASP . 25630 1 89 89 CYS . 25630 1 90 90 ASN . 25630 1 91 91 ARG . 25630 1 92 92 VAL . 25630 1 93 93 VAL . 25630 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 . LEU 1 1 25630 1 . THR 2 2 25630 1 . CYS 3 3 25630 1 . GLY 4 4 25630 1 . GLN 5 5 25630 1 . VAL 6 6 25630 1 . THR 7 7 25630 1 . GLY 8 8 25630 1 . ALA 9 9 25630 1 . LEU 10 10 25630 1 . ALA 11 11 25630 1 . PRO 12 12 25630 1 . CYS 13 13 25630 1 . LEU 14 14 25630 1 . GLY 15 15 25630 1 . TYR 16 16 25630 1 . LEU 17 17 25630 1 . ARG 18 18 25630 1 . THR 19 19 25630 1 . ALA 20 20 25630 1 . GLY 21 21 25630 1 . SER 22 22 25630 1 . VAL 23 23 25630 1 . PRO 24 24 25630 1 . VAL 25 25 25630 1 . PRO 26 26 25630 1 . LEU 27 27 25630 1 . THR 28 28 25630 1 . CYS 29 29 25630 1 . CYS 30 30 25630 1 . ASN 31 31 25630 1 . GLY 32 32 25630 1 . VAL 33 33 25630 1 . ARG 34 34 25630 1 . GLY 35 35 25630 1 . LEU 36 36 25630 1 . ASN 37 37 25630 1 . ASN 38 38 25630 1 . ALA 39 39 25630 1 . ALA 40 40 25630 1 . ARG 41 41 25630 1 . THR 42 42 25630 1 . THR 43 43 25630 1 . ILE 44 44 25630 1 . ASP 45 45 25630 1 . ARG 46 46 25630 1 . ARG 47 47 25630 1 . THR 48 48 25630 1 . ALA 49 49 25630 1 . CYS 50 50 25630 1 . ASN 51 51 25630 1 . CYS 52 52 25630 1 . LEU 53 53 25630 1 . LYS 54 54 25630 1 . GLN 55 55 25630 1 . THR 56 56 25630 1 . ALA 57 57 25630 1 . ASN 58 58 25630 1 . ALA 59 59 25630 1 . ILE 60 60 25630 1 . ALA 61 61 25630 1 . ASP 62 62 25630 1 . LEU 63 63 25630 1 . ASN 64 64 25630 1 . LEU 65 65 25630 1 . ASN 66 66 25630 1 . ALA 67 67 25630 1 . ALA 68 68 25630 1 . ALA 69 69 25630 1 . GLY 70 70 25630 1 . LEU 71 71 25630 1 . PRO 72 72 25630 1 . ALA 73 73 25630 1 . LYS 74 74 25630 1 . CYS 75 75 25630 1 . GLY 76 76 25630 1 . VAL 77 77 25630 1 . ASN 78 78 25630 1 . ILE 79 79 25630 1 . PRO 80 80 25630 1 . TYR 81 81 25630 1 . LYS 82 82 25630 1 . ILE 83 83 25630 1 . SER 84 84 25630 1 . PRO 85 85 25630 1 . SER 86 86 25630 1 . THR 87 87 25630 1 . ASP 88 88 25630 1 . CYS 89 89 25630 1 . ASN 90 90 25630 1 . ARG 91 91 25630 1 . VAL 92 92 25630 1 . VAL 93 93 25630 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 25630 _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 $entity . 40922 organism . 'Anethum graveolens' dill . . Eukaryota Viridiplantae Anethum graveolens . . . . . . . . . . . . . 25630 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 25630 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . pET-31b(+) . . . 25630 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25630 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25630 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25630 1 3 glycerol 'natural abundance' . . . . . . 10 . . mM . . . . 25630 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25630 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25630 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 25630 _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' 20 . mM 25630 1 pH 6.0 . pH 25630 1 pressure 1 . atm 25630 1 temperature 303 . K 25630 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25630 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25630 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25630 1 'structure solution' 25630 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25630 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25630 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25630 2 'data analysis' 25630 2 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 25630 _Software.ID 3 _Software.Name qMDD _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov and Mayzel' . . 25630 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25630 3 stop_ save_ save_nmrPIPE _Software.Sf_category software _Software.Sf_framecode nmrPIPE _Software.Entry_ID 25630 _Software.ID 4 _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' . . 25630 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25630 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 25630 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25630 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25630 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 25630 _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 . . . . . . . . . . . . . . . . 25630 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 1 13 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25630 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 25630 _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 TSP 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . 25630 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . 25630 1 N 15 na nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 25630 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 25630 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 4 '3D HNCACB' . . . 25630 1 8 '3D HNHA' . . . 25630 1 10 '3D HCCH-TOCSY' . . . 25630 1 12 '3D HCCH-COSY' . . . 25630 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25630 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 1 1 LEU HA H 1 4.329 0.01 . 1 . . . A 1 LEU HA . 25630 1 2 . 1 1 1 1 LEU HB2 H 1 1.674 0.01 . 2 . . . A 1 LEU HB2 . 25630 1 3 . 1 1 1 1 LEU HB3 H 1 1.572 0.01 . 2 . . . A 1 LEU HB3 . 25630 1 4 . 1 1 1 1 LEU HG H 1 1.579 0.01 . 1 . . . A 1 LEU HG . 25630 1 5 . 1 1 1 1 LEU HD11 H 1 0.833 0.01 . 2 . . . A 1 LEU HD11 . 25630 1 6 . 1 1 1 1 LEU HD12 H 1 0.833 0.01 . 2 . . . A 1 LEU HD12 . 25630 1 7 . 1 1 1 1 LEU HD13 H 1 0.833 0.01 . 2 . . . A 1 LEU HD13 . 25630 1 8 . 1 1 1 1 LEU HD21 H 1 0.765 0.01 . 2 . . . A 1 LEU HD21 . 25630 1 9 . 1 1 1 1 LEU HD22 H 1 0.765 0.01 . 2 . . . A 1 LEU HD22 . 25630 1 10 . 1 1 1 1 LEU HD23 H 1 0.765 0.01 . 2 . . . A 1 LEU HD23 . 25630 1 11 . 1 1 1 1 LEU CA C 13 53.967 0.10 . 1 . . . A 1 LEU CA . 25630 1 12 . 1 1 1 1 LEU CB C 13 42.874 0.10 . 1 . . . A 1 LEU CB . 25630 1 13 . 1 1 1 1 LEU CG C 13 26.170 0.10 . 1 . . . A 1 LEU CG . 25630 1 14 . 1 1 1 1 LEU CD1 C 13 23.955 0.10 . 1 . . . A 1 LEU CD1 . 25630 1 15 . 1 1 1 1 LEU CD2 C 13 25.562 0.10 . 1 . . . A 1 LEU CD2 . 25630 1 16 . 1 1 2 2 THR H H 1 8.298 0.01 . 1 . . . A 2 THR H . 25630 1 17 . 1 1 2 2 THR HA H 1 4.807 0.01 . 1 . . . A 2 THR HA . 25630 1 18 . 1 1 2 2 THR HB H 1 4.591 0.01 . 1 . . . A 2 THR HB . 25630 1 19 . 1 1 2 2 THR HG21 H 1 1.221 0.01 . 1 . . . A 2 THR HG21 . 25630 1 20 . 1 1 2 2 THR HG22 H 1 1.221 0.01 . 1 . . . A 2 THR HG22 . 25630 1 21 . 1 1 2 2 THR HG23 H 1 1.221 0.01 . 1 . . . A 2 THR HG23 . 25630 1 22 . 1 1 2 2 THR C C 13 175.361 0.10 . 1 . . . A 2 THR C . 25630 1 23 . 1 1 2 2 THR CA C 13 58.659 0.10 . 1 . . . A 2 THR CA . 25630 1 24 . 1 1 2 2 THR CB C 13 71.525 0.10 . 1 . . . A 2 THR CB . 25630 1 25 . 1 1 2 2 THR CG2 C 13 21.207 0.10 . 1 . . . A 2 THR CG2 . 25630 1 26 . 1 1 2 2 THR N N 15 113.980 0.10 . 1 . . . A 2 THR N . 25630 1 27 . 1 1 3 3 CYS H H 1 9.330 0.01 . 1 . . . A 3 CYS H . 25630 1 28 . 1 1 3 3 CYS HA H 1 4.720 0.01 . 1 . . . A 3 CYS HA . 25630 1 29 . 1 1 3 3 CYS HB2 H 1 2.836 0.01 . 2 . . . A 3 CYS HB2 . 25630 1 30 . 1 1 3 3 CYS HB3 H 1 3.354 0.01 . 2 . . . A 3 CYS HB3 . 25630 1 31 . 1 1 3 3 CYS CA C 13 54.110 0.10 . 1 . . . A 3 CYS CA . 25630 1 32 . 1 1 3 3 CYS CB C 13 31.416 0.10 . 1 . . . A 3 CYS CB . 25630 1 33 . 1 1 3 3 CYS N N 15 116.929 0.10 . 1 . . . A 3 CYS N . 25630 1 34 . 1 1 4 4 GLY H H 1 8.739 0.01 . 1 . . . A 4 GLY H . 25630 1 35 . 1 1 4 4 GLY HA2 H 1 3.862 0.01 . 1 . . . A 4 GLY HA2 . 25630 1 36 . 1 1 4 4 GLY HA3 H 1 3.862 0.01 . 1 . . . A 4 GLY HA3 . 25630 1 37 . 1 1 4 4 GLY CA C 13 46.883 0.10 . 1 . . . A 4 GLY CA . 25630 1 38 . 1 1 4 4 GLY N N 15 110.525 0.10 . 1 . . . A 4 GLY N . 25630 1 39 . 1 1 5 5 GLN H H 1 7.651 0.01 . 1 . . . A 5 GLN H . 25630 1 40 . 1 1 5 5 GLN HA H 1 4.122 0.01 . 1 . . . A 5 GLN HA . 25630 1 41 . 1 1 5 5 GLN HB2 H 1 2.371 0.01 . 2 . . . A 5 GLN HB2 . 25630 1 42 . 1 1 5 5 GLN HB3 H 1 1.978 0.01 . 2 . . . A 5 GLN HB3 . 25630 1 43 . 1 1 5 5 GLN HG2 H 1 2.372 0.01 . 1 . . . A 5 GLN HG2 . 25630 1 44 . 1 1 5 5 GLN HG3 H 1 2.372 0.01 . 1 . . . A 5 GLN HG3 . 25630 1 45 . 1 1 5 5 GLN HE21 H 1 7.511 0.01 . 2 . . . A 5 GLN HE21 . 25630 1 46 . 1 1 5 5 GLN HE22 H 1 6.862 0.01 . 2 . . . A 5 GLN HE22 . 25630 1 47 . 1 1 5 5 GLN C C 13 178.604 0.10 . 1 . . . A 5 GLN C . 25630 1 48 . 1 1 5 5 GLN CA C 13 58.066 0.10 . 1 . . . A 5 GLN CA . 25630 1 49 . 1 1 5 5 GLN CB C 13 28.797 0.10 . 1 . . . A 5 GLN CB . 25630 1 50 . 1 1 5 5 GLN CG C 13 34.285 0.10 . 1 . . . A 5 GLN CG . 25630 1 51 . 1 1 5 5 GLN N N 15 121.402 0.10 . 1 . . . A 5 GLN N . 25630 1 52 . 1 1 5 5 GLN NE2 N 15 111.160 0.10 . 1 . . . A 5 GLN NE2 . 25630 1 53 . 1 1 6 6 VAL H H 1 7.566 0.01 . 1 . . . A 6 VAL H . 25630 1 54 . 1 1 6 6 VAL HA H 1 3.622 0.01 . 1 . . . A 6 VAL HA . 25630 1 55 . 1 1 6 6 VAL HB H 1 2.325 0.01 . 1 . . . A 6 VAL HB . 25630 1 56 . 1 1 6 6 VAL HG11 H 1 0.898 0.01 . 2 . . . A 6 VAL HG11 . 25630 1 57 . 1 1 6 6 VAL HG12 H 1 0.898 0.01 . 2 . . . A 6 VAL HG12 . 25630 1 58 . 1 1 6 6 VAL HG13 H 1 0.898 0.01 . 2 . . . A 6 VAL HG13 . 25630 1 59 . 1 1 6 6 VAL HG21 H 1 1.025 0.01 . 2 . . . A 6 VAL HG21 . 25630 1 60 . 1 1 6 6 VAL HG22 H 1 1.025 0.01 . 2 . . . A 6 VAL HG22 . 25630 1 61 . 1 1 6 6 VAL HG23 H 1 1.025 0.01 . 2 . . . A 6 VAL HG23 . 25630 1 62 . 1 1 6 6 VAL C C 13 176.268 0.10 . 1 . . . A 6 VAL C . 25630 1 63 . 1 1 6 6 VAL CA C 13 65.939 0.10 . 1 . . . A 6 VAL CA . 25630 1 64 . 1 1 6 6 VAL CB C 13 31.034 0.10 . 1 . . . A 6 VAL CB . 25630 1 65 . 1 1 6 6 VAL CG1 C 13 20.860 0.10 . 1 . . . A 6 VAL CG1 . 25630 1 66 . 1 1 6 6 VAL CG2 C 13 22.153 0.10 . 1 . . . A 6 VAL CG2 . 25630 1 67 . 1 1 6 6 VAL N N 15 120.864 0.10 . 1 . . . A 6 VAL N . 25630 1 68 . 1 1 7 7 THR H H 1 8.835 0.01 . 1 . . . A 7 THR H . 25630 1 69 . 1 1 7 7 THR HA H 1 3.697 0.01 . 1 . . . A 7 THR HA . 25630 1 70 . 1 1 7 7 THR HB H 1 4.160 0.01 . 1 . . . A 7 THR HB . 25630 1 71 . 1 1 7 7 THR HG21 H 1 1.184 0.01 . 1 . . . A 7 THR HG21 . 25630 1 72 . 1 1 7 7 THR HG22 H 1 1.184 0.01 . 1 . . . A 7 THR HG22 . 25630 1 73 . 1 1 7 7 THR HG23 H 1 1.184 0.01 . 1 . . . A 7 THR HG23 . 25630 1 74 . 1 1 7 7 THR CA C 13 65.959 0.10 . 1 . . . A 7 THR CA . 25630 1 75 . 1 1 7 7 THR CB C 13 68.108 0.10 . 1 . . . A 7 THR CB . 25630 1 76 . 1 1 7 7 THR CG2 C 13 21.835 0.10 . 1 . . . A 7 THR CG2 . 25630 1 77 . 1 1 7 7 THR N N 15 113.871 0.10 . 1 . . . A 7 THR N . 25630 1 78 . 1 1 8 8 GLY H H 1 7.900 0.01 . 1 . . . A 8 GLY H . 25630 1 79 . 1 1 8 8 GLY HA2 H 1 3.855 0.01 . 1 . . . A 8 GLY HA2 . 25630 1 80 . 1 1 8 8 GLY HA3 H 1 3.855 0.01 . 1 . . . A 8 GLY HA3 . 25630 1 81 . 1 1 8 8 GLY C C 13 175.828 0.10 . 1 . . . A 8 GLY C . 25630 1 82 . 1 1 8 8 GLY CA C 13 46.675 0.10 . 1 . . . A 8 GLY CA . 25630 1 83 . 1 1 8 8 GLY N N 15 108.517 0.10 . 1 . . . A 8 GLY N . 25630 1 84 . 1 1 9 9 ALA H H 1 7.483 0.01 . 1 . . . A 9 ALA H . 25630 1 85 . 1 1 9 9 ALA HA H 1 4.160 0.01 . 1 . . . A 9 ALA HA . 25630 1 86 . 1 1 9 9 ALA HB1 H 1 1.491 0.01 . 1 . . . A 9 ALA HB1 . 25630 1 87 . 1 1 9 9 ALA HB2 H 1 1.491 0.01 . 1 . . . A 9 ALA HB2 . 25630 1 88 . 1 1 9 9 ALA HB3 H 1 1.491 0.01 . 1 . . . A 9 ALA HB3 . 25630 1 89 . 1 1 9 9 ALA C C 13 177.583 0.10 . 1 . . . A 9 ALA C . 25630 1 90 . 1 1 9 9 ALA CA C 13 54.053 0.10 . 1 . . . A 9 ALA CA . 25630 1 91 . 1 1 9 9 ALA CB C 13 17.914 0.10 . 1 . . . A 9 ALA CB . 25630 1 92 . 1 1 9 9 ALA N N 15 123.446 0.10 . 1 . . . A 9 ALA N . 25630 1 93 . 1 1 10 10 LEU H H 1 7.279 0.01 . 1 . . . A 10 LEU H . 25630 1 94 . 1 1 10 10 LEU HA H 1 4.156 0.01 . 1 . . . A 10 LEU HA . 25630 1 95 . 1 1 10 10 LEU HB2 H 1 1.488 0.01 . 2 . . . A 10 LEU HB2 . 25630 1 96 . 1 1 10 10 LEU HB3 H 1 1.610 0.01 . 2 . . . A 10 LEU HB3 . 25630 1 97 . 1 1 10 10 LEU HG H 1 1.771 0.01 . 1 . . . A 10 LEU HG . 25630 1 98 . 1 1 10 10 LEU HD11 H 1 0.731 0.01 . 2 . . . A 10 LEU HD11 . 25630 1 99 . 1 1 10 10 LEU HD12 H 1 0.731 0.01 . 2 . . . A 10 LEU HD12 . 25630 1 100 . 1 1 10 10 LEU HD13 H 1 0.731 0.01 . 2 . . . A 10 LEU HD13 . 25630 1 101 . 1 1 10 10 LEU HD21 H 1 0.684 0.01 . 2 . . . A 10 LEU HD21 . 25630 1 102 . 1 1 10 10 LEU HD22 H 1 0.684 0.01 . 2 . . . A 10 LEU HD22 . 25630 1 103 . 1 1 10 10 LEU HD23 H 1 0.684 0.01 . 2 . . . A 10 LEU HD23 . 25630 1 104 . 1 1 10 10 LEU C C 13 177.573 0.10 . 1 . . . A 10 LEU C . 25630 1 105 . 1 1 10 10 LEU CA C 13 53.384 0.10 . 1 . . . A 10 LEU CA . 25630 1 106 . 1 1 10 10 LEU CB C 13 42.102 0.10 . 1 . . . A 10 LEU CB . 25630 1 107 . 1 1 10 10 LEU CG C 13 27.174 0.10 . 1 . . . A 10 LEU CG . 25630 1 108 . 1 1 10 10 LEU CD1 C 13 23.961 0.10 . 1 . . . A 10 LEU CD1 . 25630 1 109 . 1 1 10 10 LEU CD2 C 13 23.374 0.10 . 1 . . . A 10 LEU CD2 . 25630 1 110 . 1 1 10 10 LEU N N 15 112.012 0.10 . 1 . . . A 10 LEU N . 25630 1 111 . 1 1 11 11 ALA H H 1 7.517 0.01 . 1 . . . A 11 ALA H . 25630 1 112 . 1 1 11 11 ALA HA H 1 4.251 0.01 . 1 . . . A 11 ALA HA . 25630 1 113 . 1 1 11 11 ALA HB1 H 1 1.567 0.01 . 1 . . . A 11 ALA HB1 . 25630 1 114 . 1 1 11 11 ALA HB2 H 1 1.567 0.01 . 1 . . . A 11 ALA HB2 . 25630 1 115 . 1 1 11 11 ALA HB3 H 1 1.567 0.01 . 1 . . . A 11 ALA HB3 . 25630 1 116 . 1 1 11 11 ALA C C 13 176.754 0.10 . 1 . . . A 11 ALA C . 25630 1 117 . 1 1 11 11 ALA CA C 13 56.645 0.10 . 1 . . . A 11 ALA CA . 25630 1 118 . 1 1 11 11 ALA CB C 13 15.503 0.10 . 1 . . . A 11 ALA CB . 25630 1 119 . 1 1 11 11 ALA N N 15 124.705 0.10 . 1 . . . A 11 ALA N . 25630 1 120 . 1 1 12 12 PRO HA H 1 4.663 0.01 . 1 . . . A 12 PRO HA . 25630 1 121 . 1 1 12 12 PRO HB2 H 1 1.479 0.01 . 2 . . . A 12 PRO HB2 . 25630 1 122 . 1 1 12 12 PRO HB3 H 1 2.396 0.01 . 2 . . . A 12 PRO HB3 . 25630 1 123 . 1 1 12 12 PRO HG2 H 1 1.929 0.01 . 2 . . . A 12 PRO HG2 . 25630 1 124 . 1 1 12 12 PRO HG3 H 1 2.002 0.01 . 2 . . . A 12 PRO HG3 . 25630 1 125 . 1 1 12 12 PRO HD2 H 1 3.794 0.01 . 2 . . . A 12 PRO HD2 . 25630 1 126 . 1 1 12 12 PRO HD3 H 1 3.634 0.01 . 2 . . . A 12 PRO HD3 . 25630 1 127 . 1 1 12 12 PRO CA C 13 64.423 0.10 . 1 . . . A 12 PRO CA . 25630 1 128 . 1 1 12 12 PRO CB C 13 31.214 0.10 . 1 . . . A 12 PRO CB . 25630 1 129 . 1 1 12 12 PRO CG C 13 27.846 0.10 . 1 . . . A 12 PRO CG . 25630 1 130 . 1 1 12 12 PRO CD C 13 50.441 0.10 . 1 . . . A 12 PRO CD . 25630 1 131 . 1 1 13 13 CYS H H 1 8.801 0.01 . 1 . . . A 13 CYS H . 25630 1 132 . 1 1 13 13 CYS HA H 1 4.618 0.01 . 1 . . . A 13 CYS HA . 25630 1 133 . 1 1 13 13 CYS HB2 H 1 3.237 0.01 . 2 . . . A 13 CYS HB2 . 25630 1 134 . 1 1 13 13 CYS HB3 H 1 3.131 0.01 . 2 . . . A 13 CYS HB3 . 25630 1 135 . 1 1 13 13 CYS C C 13 174.583 0.10 . 1 . . . A 13 CYS C . 25630 1 136 . 1 1 13 13 CYS CA C 13 53.992 0.10 . 1 . . . A 13 CYS CA . 25630 1 137 . 1 1 13 13 CYS CB C 13 42.898 0.10 . 1 . . . A 13 CYS CB . 25630 1 138 . 1 1 13 13 CYS N N 15 114.976 0.10 . 1 . . . A 13 CYS N . 25630 1 139 . 1 1 14 14 LEU H H 1 7.665 0.01 . 1 . . . A 14 LEU H . 25630 1 140 . 1 1 14 14 LEU HA H 1 3.817 0.01 . 1 . . . A 14 LEU HA . 25630 1 141 . 1 1 14 14 LEU HB2 H 1 1.826 0.01 . 2 . . . A 14 LEU HB2 . 25630 1 142 . 1 1 14 14 LEU HB3 H 1 1.500 0.01 . 2 . . . A 14 LEU HB3 . 25630 1 143 . 1 1 14 14 LEU HG H 1 1.847 0.01 . 1 . . . A 14 LEU HG . 25630 1 144 . 1 1 14 14 LEU HD11 H 1 0.911 0.01 . 2 . . . A 14 LEU HD11 . 25630 1 145 . 1 1 14 14 LEU HD12 H 1 0.911 0.01 . 2 . . . A 14 LEU HD12 . 25630 1 146 . 1 1 14 14 LEU HD13 H 1 0.911 0.01 . 2 . . . A 14 LEU HD13 . 25630 1 147 . 1 1 14 14 LEU HD21 H 1 0.719 0.01 . 2 . . . A 14 LEU HD21 . 25630 1 148 . 1 1 14 14 LEU HD22 H 1 0.719 0.01 . 2 . . . A 14 LEU HD22 . 25630 1 149 . 1 1 14 14 LEU HD23 H 1 0.719 0.01 . 2 . . . A 14 LEU HD23 . 25630 1 150 . 1 1 14 14 LEU C C 13 177.057 0.10 . 1 . . . A 14 LEU C . 25630 1 151 . 1 1 14 14 LEU CA C 13 59.303 0.10 . 1 . . . A 14 LEU CA . 25630 1 152 . 1 1 14 14 LEU CB C 13 40.871 0.10 . 1 . . . A 14 LEU CB . 25630 1 153 . 1 1 14 14 LEU CG C 13 26.452 0.10 . 1 . . . A 14 LEU CG . 25630 1 154 . 1 1 14 14 LEU CD1 C 13 24.055 0.10 . 1 . . . A 14 LEU CD1 . 25630 1 155 . 1 1 14 14 LEU CD2 C 13 21.842 0.10 . 1 . . . A 14 LEU CD2 . 25630 1 156 . 1 1 14 14 LEU N N 15 121.119 0.10 . 1 . . . A 14 LEU N . 25630 1 157 . 1 1 15 15 GLY H H 1 8.322 0.01 . 1 . . . A 15 GLY H . 25630 1 158 . 1 1 15 15 GLY HA2 H 1 3.694 0.01 . 2 . . . A 15 GLY HA2 . 25630 1 159 . 1 1 15 15 GLY HA3 H 1 3.793 0.01 . 2 . . . A 15 GLY HA3 . 25630 1 160 . 1 1 15 15 GLY C C 13 176.947 0.10 . 1 . . . A 15 GLY C . 25630 1 161 . 1 1 15 15 GLY CA C 13 46.859 0.10 . 1 . . . A 15 GLY CA . 25630 1 162 . 1 1 15 15 GLY N N 15 105.845 0.10 . 1 . . . A 15 GLY N . 25630 1 163 . 1 1 16 16 TYR H H 1 8.650 0.01 . 1 . . . A 16 TYR H . 25630 1 164 . 1 1 16 16 TYR HA H 1 4.004 0.01 . 1 . . . A 16 TYR HA . 25630 1 165 . 1 1 16 16 TYR HB2 H 1 3.160 0.01 . 2 . . . A 16 TYR HB2 . 25630 1 166 . 1 1 16 16 TYR HB3 H 1 3.112 0.01 . 2 . . . A 16 TYR HB3 . 25630 1 167 . 1 1 16 16 TYR HD1 H 1 6.955 0.01 . 1 . . . A 16 TYR HD1 . 25630 1 168 . 1 1 16 16 TYR HD2 H 1 6.955 0.01 . 1 . . . A 16 TYR HD2 . 25630 1 169 . 1 1 16 16 TYR HE1 H 1 6.774 0.01 . 1 . . . A 16 TYR HE1 . 25630 1 170 . 1 1 16 16 TYR HE2 H 1 6.774 0.01 . 1 . . . A 16 TYR HE2 . 25630 1 171 . 1 1 16 16 TYR C C 13 177.192 0.10 . 1 . . . A 16 TYR C . 25630 1 172 . 1 1 16 16 TYR CA C 13 61.361 0.10 . 1 . . . A 16 TYR CA . 25630 1 173 . 1 1 16 16 TYR CB C 13 37.906 0.10 . 1 . . . A 16 TYR CB . 25630 1 174 . 1 1 16 16 TYR CD1 C 13 132.409 0.10 . 1 . . . A 16 TYR CD1 . 25630 1 175 . 1 1 16 16 TYR CE1 C 13 118.451 0.10 . 1 . . . A 16 TYR CE1 . 25630 1 176 . 1 1 16 16 TYR N N 15 125.900 0.10 . 1 . . . A 16 TYR N . 25630 1 177 . 1 1 17 17 LEU H H 1 8.419 0.01 . 1 . . . A 17 LEU H . 25630 1 178 . 1 1 17 17 LEU HA H 1 3.792 0.01 . 1 . . . A 17 LEU HA . 25630 1 179 . 1 1 17 17 LEU HB2 H 1 1.907 0.01 . 2 . . . A 17 LEU HB2 . 25630 1 180 . 1 1 17 17 LEU HB3 H 1 1.477 0.01 . 2 . . . A 17 LEU HB3 . 25630 1 181 . 1 1 17 17 LEU HG H 1 2.043 0.01 . 1 . . . A 17 LEU HG . 25630 1 182 . 1 1 17 17 LEU HD11 H 1 0.703 0.01 . 2 . . . A 17 LEU HD11 . 25630 1 183 . 1 1 17 17 LEU HD12 H 1 0.703 0.01 . 2 . . . A 17 LEU HD12 . 25630 1 184 . 1 1 17 17 LEU HD13 H 1 0.703 0.01 . 2 . . . A 17 LEU HD13 . 25630 1 185 . 1 1 17 17 LEU HD21 H 1 0.912 0.01 . 2 . . . A 17 LEU HD21 . 25630 1 186 . 1 1 17 17 LEU HD22 H 1 0.912 0.01 . 2 . . . A 17 LEU HD22 . 25630 1 187 . 1 1 17 17 LEU HD23 H 1 0.912 0.01 . 2 . . . A 17 LEU HD23 . 25630 1 188 . 1 1 17 17 LEU C C 13 175.010 0.10 . 1 . . . A 17 LEU C . 25630 1 189 . 1 1 17 17 LEU CA C 13 56.221 0.10 . 1 . . . A 17 LEU CA . 25630 1 190 . 1 1 17 17 LEU CB C 13 41.476 0.10 . 1 . . . A 17 LEU CB . 25630 1 191 . 1 1 17 17 LEU CG C 13 26.188 0.10 . 1 . . . A 17 LEU CG . 25630 1 192 . 1 1 17 17 LEU CD1 C 13 24.569 0.10 . 1 . . . A 17 LEU CD1 . 25630 1 193 . 1 1 17 17 LEU CD2 C 13 22.178 0.10 . 1 . . . A 17 LEU CD2 . 25630 1 194 . 1 1 17 17 LEU N N 15 117.280 0.10 . 1 . . . A 17 LEU N . 25630 1 195 . 1 1 18 18 ARG H H 1 7.212 0.01 . 1 . . . A 18 ARG H . 25630 1 196 . 1 1 18 18 ARG HA H 1 4.579 0.01 . 1 . . . A 18 ARG HA . 25630 1 197 . 1 1 18 18 ARG HB2 H 1 1.619 0.01 . 2 . . . A 18 ARG HB2 . 25630 1 198 . 1 1 18 18 ARG HB3 H 1 2.028 0.01 . 2 . . . A 18 ARG HB3 . 25630 1 199 . 1 1 18 18 ARG HG2 H 1 1.407 0.01 . 2 . . . A 18 ARG HG2 . 25630 1 200 . 1 1 18 18 ARG HG3 H 1 1.768 0.01 . 2 . . . A 18 ARG HG3 . 25630 1 201 . 1 1 18 18 ARG HD2 H 1 3.138 0.01 . 2 . . . A 18 ARG HD2 . 25630 1 202 . 1 1 18 18 ARG HD3 H 1 3.075 0.01 . 2 . . . A 18 ARG HD3 . 25630 1 203 . 1 1 18 18 ARG HE H 1 7.814 0.01 . 1 . . . A 18 ARG HE . 25630 1 204 . 1 1 18 18 ARG C C 13 175.874 0.10 . 1 . . . A 18 ARG C . 25630 1 205 . 1 1 18 18 ARG CA C 13 55.322 0.10 . 1 . . . A 18 ARG CA . 25630 1 206 . 1 1 18 18 ARG CB C 13 30.375 0.10 . 1 . . . A 18 ARG CB . 25630 1 207 . 1 1 18 18 ARG CG C 13 27.132 0.10 . 1 . . . A 18 ARG CG . 25630 1 208 . 1 1 18 18 ARG CD C 13 43.557 0.10 . 1 . . . A 18 ARG CD . 25630 1 209 . 1 1 18 18 ARG N N 15 115.416 0.10 . 1 . . . A 18 ARG N . 25630 1 210 . 1 1 18 18 ARG NE N 15 86.354 0.10 . 1 . . . A 18 ARG NE . 25630 1 211 . 1 1 19 19 THR H H 1 7.462 0.01 . 1 . . . A 19 THR H . 25630 1 212 . 1 1 19 19 THR HA H 1 4.296 0.01 . 1 . . . A 19 THR HA . 25630 1 213 . 1 1 19 19 THR HB H 1 4.179 0.01 . 1 . . . A 19 THR HB . 25630 1 214 . 1 1 19 19 THR HG1 H 1 5.345 0.01 . 1 . . . A 19 THR HG1 . 25630 1 215 . 1 1 19 19 THR HG21 H 1 1.254 0.01 . 1 . . . A 19 THR HG21 . 25630 1 216 . 1 1 19 19 THR HG22 H 1 1.254 0.01 . 1 . . . A 19 THR HG22 . 25630 1 217 . 1 1 19 19 THR HG23 H 1 1.254 0.01 . 1 . . . A 19 THR HG23 . 25630 1 218 . 1 1 19 19 THR C C 13 173.038 0.10 . 1 . . . A 19 THR C . 25630 1 219 . 1 1 19 19 THR CA C 13 62.270 0.10 . 1 . . . A 19 THR CA . 25630 1 220 . 1 1 19 19 THR CB C 13 69.436 0.10 . 1 . . . A 19 THR CB . 25630 1 221 . 1 1 19 19 THR CG2 C 13 20.622 0.10 . 1 . . . A 19 THR CG2 . 25630 1 222 . 1 1 19 19 THR N N 15 117.095 0.10 . 1 . . . A 19 THR N . 25630 1 223 . 1 1 20 20 ALA H H 1 8.607 0.01 . 1 . . . A 20 ALA H . 25630 1 224 . 1 1 20 20 ALA HA H 1 4.151 0.01 . 1 . . . A 20 ALA HA . 25630 1 225 . 1 1 20 20 ALA HB1 H 1 1.375 0.01 . 1 . . . A 20 ALA HB1 . 25630 1 226 . 1 1 20 20 ALA HB2 H 1 1.375 0.01 . 1 . . . A 20 ALA HB2 . 25630 1 227 . 1 1 20 20 ALA HB3 H 1 1.375 0.01 . 1 . . . A 20 ALA HB3 . 25630 1 228 . 1 1 20 20 ALA C C 13 177.148 0.10 . 1 . . . A 20 ALA C . 25630 1 229 . 1 1 20 20 ALA CA C 13 52.378 0.10 . 1 . . . A 20 ALA CA . 25630 1 230 . 1 1 20 20 ALA CB C 13 18.697 0.10 . 1 . . . A 20 ALA CB . 25630 1 231 . 1 1 20 20 ALA N N 15 128.239 0.10 . 1 . . . A 20 ALA N . 25630 1 232 . 1 1 21 21 GLY H H 1 8.207 0.01 . 1 . . . A 21 GLY H . 25630 1 233 . 1 1 21 21 GLY HA2 H 1 3.889 0.01 . 2 . . . A 21 GLY HA2 . 25630 1 234 . 1 1 21 21 GLY HA3 H 1 3.624 0.01 . 2 . . . A 21 GLY HA3 . 25630 1 235 . 1 1 21 21 GLY C C 13 173.046 0.10 . 1 . . . A 21 GLY C . 25630 1 236 . 1 1 21 21 GLY CA C 13 44.516 0.10 . 1 . . . A 21 GLY CA . 25630 1 237 . 1 1 21 21 GLY N N 15 106.473 0.10 . 1 . . . A 21 GLY N . 25630 1 238 . 1 1 22 22 SER H H 1 8.177 0.01 . 1 . . . A 22 SER H . 25630 1 239 . 1 1 22 22 SER HA H 1 4.684 0.01 . 1 . . . A 22 SER HA . 25630 1 240 . 1 1 22 22 SER HB2 H 1 3.764 0.01 . 1 . . . A 22 SER HB2 . 25630 1 241 . 1 1 22 22 SER HB3 H 1 3.764 0.01 . 1 . . . A 22 SER HB3 . 25630 1 242 . 1 1 22 22 SER CA C 13 56.763 0.10 . 1 . . . A 22 SER CA . 25630 1 243 . 1 1 22 22 SER CB C 13 62.875 0.10 . 1 . . . A 22 SER CB . 25630 1 244 . 1 1 22 22 SER N N 15 115.592 0.10 . 1 . . . A 22 SER N . 25630 1 245 . 1 1 23 23 VAL H H 1 8.110 0.01 . 1 . . . A 23 VAL H . 25630 1 246 . 1 1 23 23 VAL HA H 1 4.817 0.01 . 1 . . . A 23 VAL HA . 25630 1 247 . 1 1 23 23 VAL HB H 1 2.395 0.01 . 1 . . . A 23 VAL HB . 25630 1 248 . 1 1 23 23 VAL HG11 H 1 0.965 0.01 . 2 . . . A 23 VAL HG11 . 25630 1 249 . 1 1 23 23 VAL HG12 H 1 0.965 0.01 . 2 . . . A 23 VAL HG12 . 25630 1 250 . 1 1 23 23 VAL HG13 H 1 0.965 0.01 . 2 . . . A 23 VAL HG13 . 25630 1 251 . 1 1 23 23 VAL HG21 H 1 0.967 0.01 . 2 . . . A 23 VAL HG21 . 25630 1 252 . 1 1 23 23 VAL HG22 H 1 0.967 0.01 . 2 . . . A 23 VAL HG22 . 25630 1 253 . 1 1 23 23 VAL HG23 H 1 0.967 0.01 . 2 . . . A 23 VAL HG23 . 25630 1 254 . 1 1 23 23 VAL CA C 13 58.256 0.10 . 1 . . . A 23 VAL CA . 25630 1 255 . 1 1 23 23 VAL CB C 13 32.614 0.10 . 1 . . . A 23 VAL CB . 25630 1 256 . 1 1 23 23 VAL CG1 C 13 21.422 0.10 . 1 . . . A 23 VAL CG1 . 25630 1 257 . 1 1 23 23 VAL CG2 C 13 18.198 0.10 . 1 . . . A 23 VAL CG2 . 25630 1 258 . 1 1 23 23 VAL N N 15 120.568 0.10 . 1 . . . A 23 VAL N . 25630 1 259 . 1 1 24 24 PRO HA H 1 4.400 0.01 . 1 . . . A 24 PRO HA . 25630 1 260 . 1 1 24 24 PRO HB2 H 1 1.699 0.01 . 2 . . . A 24 PRO HB2 . 25630 1 261 . 1 1 24 24 PRO HB3 H 1 2.275 0.01 . 2 . . . A 24 PRO HB3 . 25630 1 262 . 1 1 24 24 PRO HG2 H 1 2.026 0.01 . 2 . . . A 24 PRO HG2 . 25630 1 263 . 1 1 24 24 PRO HG3 H 1 1.923 0.01 . 2 . . . A 24 PRO HG3 . 25630 1 264 . 1 1 24 24 PRO HD2 H 1 3.622 0.01 . 2 . . . A 24 PRO HD2 . 25630 1 265 . 1 1 24 24 PRO HD3 H 1 3.813 0.01 . 2 . . . A 24 PRO HD3 . 25630 1 266 . 1 1 24 24 PRO CA C 13 62.104 0.10 . 1 . . . A 24 PRO CA . 25630 1 267 . 1 1 24 24 PRO CB C 13 31.625 0.10 . 1 . . . A 24 PRO CB . 25630 1 268 . 1 1 24 24 PRO CG C 13 27.427 0.10 . 1 . . . A 24 PRO CG . 25630 1 269 . 1 1 24 24 PRO CD C 13 50.397 0.10 . 1 . . . A 24 PRO CD . 25630 1 270 . 1 1 25 25 VAL H H 1 8.187 0.01 . 1 . . . A 25 VAL H . 25630 1 271 . 1 1 25 25 VAL HA H 1 3.666 0.01 . 1 . . . A 25 VAL HA . 25630 1 272 . 1 1 25 25 VAL HB H 1 1.501 0.01 . 1 . . . A 25 VAL HB . 25630 1 273 . 1 1 25 25 VAL HG11 H 1 0.491 0.01 . 2 . . . A 25 VAL HG11 . 25630 1 274 . 1 1 25 25 VAL HG12 H 1 0.491 0.01 . 2 . . . A 25 VAL HG12 . 25630 1 275 . 1 1 25 25 VAL HG13 H 1 0.491 0.01 . 2 . . . A 25 VAL HG13 . 25630 1 276 . 1 1 25 25 VAL HG21 H 1 0.378 0.01 . 2 . . . A 25 VAL HG21 . 25630 1 277 . 1 1 25 25 VAL HG22 H 1 0.378 0.01 . 2 . . . A 25 VAL HG22 . 25630 1 278 . 1 1 25 25 VAL HG23 H 1 0.378 0.01 . 2 . . . A 25 VAL HG23 . 25630 1 279 . 1 1 25 25 VAL C C 13 174.735 0.10 . 1 . . . A 25 VAL C . 25630 1 280 . 1 1 25 25 VAL CA C 13 58.474 0.10 . 1 . . . A 25 VAL CA . 25630 1 281 . 1 1 25 25 VAL CB C 13 32.625 0.10 . 1 . . . A 25 VAL CB . 25630 1 282 . 1 1 25 25 VAL CG1 C 13 21.073 0.10 . 1 . . . A 25 VAL CG1 . 25630 1 283 . 1 1 25 25 VAL CG2 C 13 20.986 0.10 . 1 . . . A 25 VAL CG2 . 25630 1 284 . 1 1 25 25 VAL N N 15 122.444 0.10 . 1 . . . A 25 VAL N . 25630 1 285 . 1 1 26 26 PRO HA H 1 4.437 0.01 . 1 . . . A 26 PRO HA . 25630 1 286 . 1 1 26 26 PRO HB2 H 1 1.760 0.01 . 2 . . . A 26 PRO HB2 . 25630 1 287 . 1 1 26 26 PRO HB3 H 1 2.502 0.01 . 2 . . . A 26 PRO HB3 . 25630 1 288 . 1 1 26 26 PRO HG2 H 1 2.153 0.01 . 1 . . . A 26 PRO HG2 . 25630 1 289 . 1 1 26 26 PRO HG3 H 1 2.153 0.01 . 1 . . . A 26 PRO HG3 . 25630 1 290 . 1 1 26 26 PRO HD2 H 1 3.101 0.01 . 2 . . . A 26 PRO HD2 . 25630 1 291 . 1 1 26 26 PRO HD3 H 1 4.080 0.01 . 2 . . . A 26 PRO HD3 . 25630 1 292 . 1 1 26 26 PRO CA C 13 62.431 0.10 . 1 . . . A 26 PRO CA . 25630 1 293 . 1 1 26 26 PRO CB C 13 32.069 0.10 . 1 . . . A 26 PRO CB . 25630 1 294 . 1 1 26 26 PRO CG C 13 27.742 0.10 . 1 . . . A 26 PRO CG . 25630 1 295 . 1 1 26 26 PRO CD C 13 51.060 0.10 . 1 . . . A 26 PRO CD . 25630 1 296 . 1 1 27 27 LEU H H 1 8.871 0.01 . 1 . . . A 27 LEU H . 25630 1 297 . 1 1 27 27 LEU HA H 1 3.982 0.01 . 1 . . . A 27 LEU HA . 25630 1 298 . 1 1 27 27 LEU HB2 H 1 1.720 0.01 . 2 . . . A 27 LEU HB2 . 25630 1 299 . 1 1 27 27 LEU HB3 H 1 1.677 0.01 . 2 . . . A 27 LEU HB3 . 25630 1 300 . 1 1 27 27 LEU HG H 1 1.628 0.01 . 1 . . . A 27 LEU HG . 25630 1 301 . 1 1 27 27 LEU HD11 H 1 0.911 0.01 . 2 . . . A 27 LEU HD11 . 25630 1 302 . 1 1 27 27 LEU HD12 H 1 0.911 0.01 . 2 . . . A 27 LEU HD12 . 25630 1 303 . 1 1 27 27 LEU HD13 H 1 0.911 0.01 . 2 . . . A 27 LEU HD13 . 25630 1 304 . 1 1 27 27 LEU HD21 H 1 0.897 0.01 . 2 . . . A 27 LEU HD21 . 25630 1 305 . 1 1 27 27 LEU HD22 H 1 0.897 0.01 . 2 . . . A 27 LEU HD22 . 25630 1 306 . 1 1 27 27 LEU HD23 H 1 0.897 0.01 . 2 . . . A 27 LEU HD23 . 25630 1 307 . 1 1 27 27 LEU C C 13 178.619 0.10 . 1 . . . A 27 LEU C . 25630 1 308 . 1 1 27 27 LEU CA C 13 58.471 0.10 . 1 . . . A 27 LEU CA . 25630 1 309 . 1 1 27 27 LEU CB C 13 41.085 0.10 . 1 . . . A 27 LEU CB . 25630 1 310 . 1 1 27 27 LEU CG C 13 26.581 0.10 . 1 . . . A 27 LEU CG . 25630 1 311 . 1 1 27 27 LEU CD1 C 13 23.540 0.10 . 1 . . . A 27 LEU CD1 . 25630 1 312 . 1 1 27 27 LEU CD2 C 13 24.199 0.10 . 1 . . . A 27 LEU CD2 . 25630 1 313 . 1 1 27 27 LEU N N 15 128.747 0.10 . 1 . . . A 27 LEU N . 25630 1 314 . 1 1 28 28 THR H H 1 8.219 0.01 . 1 . . . A 28 THR H . 25630 1 315 . 1 1 28 28 THR HA H 1 3.962 0.01 . 1 . . . A 28 THR HA . 25630 1 316 . 1 1 28 28 THR HB H 1 4.153 0.01 . 1 . . . A 28 THR HB . 25630 1 317 . 1 1 28 28 THR HG21 H 1 1.335 0.01 . 1 . . . A 28 THR HG21 . 25630 1 318 . 1 1 28 28 THR HG22 H 1 1.335 0.01 . 1 . . . A 28 THR HG22 . 25630 1 319 . 1 1 28 28 THR HG23 H 1 1.335 0.01 . 1 . . . A 28 THR HG23 . 25630 1 320 . 1 1 28 28 THR C C 13 177.771 0.10 . 1 . . . A 28 THR C . 25630 1 321 . 1 1 28 28 THR CA C 13 64.160 0.10 . 1 . . . A 28 THR CA . 25630 1 322 . 1 1 28 28 THR CB C 13 67.597 0.10 . 1 . . . A 28 THR CB . 25630 1 323 . 1 1 28 28 THR CG2 C 13 22.764 0.10 . 1 . . . A 28 THR CG2 . 25630 1 324 . 1 1 28 28 THR N N 15 107.667 0.10 . 1 . . . A 28 THR N . 25630 1 325 . 1 1 29 29 CYS H H 1 7.177 0.01 . 1 . . . A 29 CYS H . 25630 1 326 . 1 1 29 29 CYS HA H 1 4.471 0.01 . 1 . . . A 29 CYS HA . 25630 1 327 . 1 1 29 29 CYS HB2 H 1 2.895 0.01 . 2 . . . A 29 CYS HB2 . 25630 1 328 . 1 1 29 29 CYS HB3 H 1 3.165 0.01 . 2 . . . A 29 CYS HB3 . 25630 1 329 . 1 1 29 29 CYS C C 13 175.191 0.10 . 1 . . . A 29 CYS C . 25630 1 330 . 1 1 29 29 CYS CA C 13 58.136 0.10 . 1 . . . A 29 CYS CA . 25630 1 331 . 1 1 29 29 CYS CB C 13 37.170 0.10 . 1 . . . A 29 CYS CB . 25630 1 332 . 1 1 29 29 CYS N N 15 118.564 0.10 . 1 . . . A 29 CYS N . 25630 1 333 . 1 1 30 30 CYS H H 1 7.522 0.01 . 1 . . . A 30 CYS H . 25630 1 334 . 1 1 30 30 CYS HA H 1 4.656 0.01 . 1 . . . A 30 CYS HA . 25630 1 335 . 1 1 30 30 CYS HB2 H 1 2.769 0.01 . 2 . . . A 30 CYS HB2 . 25630 1 336 . 1 1 30 30 CYS HB3 H 1 3.055 0.01 . 2 . . . A 30 CYS HB3 . 25630 1 337 . 1 1 30 30 CYS C C 13 177.101 0.10 . 1 . . . A 30 CYS C . 25630 1 338 . 1 1 30 30 CYS CA C 13 54.440 0.10 . 1 . . . A 30 CYS CA . 25630 1 339 . 1 1 30 30 CYS CB C 13 31.989 0.10 . 1 . . . A 30 CYS CB . 25630 1 340 . 1 1 30 30 CYS N N 15 117.371 0.10 . 1 . . . A 30 CYS N . 25630 1 341 . 1 1 31 31 ASN H H 1 8.703 0.01 . 1 . . . A 31 ASN H . 25630 1 342 . 1 1 31 31 ASN HA H 1 4.468 0.01 . 1 . . . A 31 ASN HA . 25630 1 343 . 1 1 31 31 ASN HB2 H 1 2.805 0.01 . 2 . . . A 31 ASN HB2 . 25630 1 344 . 1 1 31 31 ASN HB3 H 1 2.857 0.01 . 2 . . . A 31 ASN HB3 . 25630 1 345 . 1 1 31 31 ASN HD21 H 1 7.721 0.01 . 2 . . . A 31 ASN HD21 . 25630 1 346 . 1 1 31 31 ASN HD22 H 1 6.794 0.01 . 2 . . . A 31 ASN HD22 . 25630 1 347 . 1 1 31 31 ASN C C 13 178.119 0.10 . 1 . . . A 31 ASN C . 25630 1 348 . 1 1 31 31 ASN CA C 13 55.778 0.10 . 1 . . . A 31 ASN CA . 25630 1 349 . 1 1 31 31 ASN CB C 13 36.964 0.10 . 1 . . . A 31 ASN CB . 25630 1 350 . 1 1 31 31 ASN N N 15 119.039 0.10 . 1 . . . A 31 ASN N . 25630 1 351 . 1 1 31 31 ASN ND2 N 15 111.163 0.10 . 1 . . . A 31 ASN ND2 . 25630 1 352 . 1 1 32 32 GLY H H 1 7.744 0.01 . 1 . . . A 32 GLY H . 25630 1 353 . 1 1 32 32 GLY HA2 H 1 4.155 0.01 . 2 . . . A 32 GLY HA2 . 25630 1 354 . 1 1 32 32 GLY HA3 H 1 4.004 0.01 . 2 . . . A 32 GLY HA3 . 25630 1 355 . 1 1 32 32 GLY C C 13 175.147 0.10 . 1 . . . A 32 GLY C . 25630 1 356 . 1 1 32 32 GLY CA C 13 47.058 0.10 . 1 . . . A 32 GLY CA . 25630 1 357 . 1 1 32 32 GLY N N 15 111.440 0.10 . 1 . . . A 32 GLY N . 25630 1 358 . 1 1 33 33 VAL H H 1 8.139 0.01 . 1 . . . A 33 VAL H . 25630 1 359 . 1 1 33 33 VAL HA H 1 3.470 0.01 . 1 . . . A 33 VAL HA . 25630 1 360 . 1 1 33 33 VAL HB H 1 2.146 0.01 . 1 . . . A 33 VAL HB . 25630 1 361 . 1 1 33 33 VAL HG11 H 1 0.774 0.01 . 2 . . . A 33 VAL HG11 . 25630 1 362 . 1 1 33 33 VAL HG12 H 1 0.774 0.01 . 2 . . . A 33 VAL HG12 . 25630 1 363 . 1 1 33 33 VAL HG13 H 1 0.774 0.01 . 2 . . . A 33 VAL HG13 . 25630 1 364 . 1 1 33 33 VAL HG21 H 1 0.991 0.01 . 2 . . . A 33 VAL HG21 . 25630 1 365 . 1 1 33 33 VAL HG22 H 1 0.991 0.01 . 2 . . . A 33 VAL HG22 . 25630 1 366 . 1 1 33 33 VAL HG23 H 1 0.991 0.01 . 2 . . . A 33 VAL HG23 . 25630 1 367 . 1 1 33 33 VAL C C 13 177.344 0.10 . 1 . . . A 33 VAL C . 25630 1 368 . 1 1 33 33 VAL CA C 13 66.135 0.10 . 1 . . . A 33 VAL CA . 25630 1 369 . 1 1 33 33 VAL CB C 13 31.530 0.10 . 1 . . . A 33 VAL CB . 25630 1 370 . 1 1 33 33 VAL CG1 C 13 21.274 0.10 . 1 . . . A 33 VAL CG1 . 25630 1 371 . 1 1 33 33 VAL CG2 C 13 22.863 0.10 . 1 . . . A 33 VAL CG2 . 25630 1 372 . 1 1 33 33 VAL N N 15 122.106 0.10 . 1 . . . A 33 VAL N . 25630 1 373 . 1 1 34 34 ARG H H 1 8.452 0.01 . 1 . . . A 34 ARG H . 25630 1 374 . 1 1 34 34 ARG HA H 1 3.869 0.01 . 1 . . . A 34 ARG HA . 25630 1 375 . 1 1 34 34 ARG HB2 H 1 1.864 0.01 . 1 . . . A 34 ARG HB2 . 25630 1 376 . 1 1 34 34 ARG HB3 H 1 1.864 0.01 . 1 . . . A 34 ARG HB3 . 25630 1 377 . 1 1 34 34 ARG HG2 H 1 1.690 0.01 . 2 . . . A 34 ARG HG2 . 25630 1 378 . 1 1 34 34 ARG HG3 H 1 1.546 0.01 . 2 . . . A 34 ARG HG3 . 25630 1 379 . 1 1 34 34 ARG HD2 H 1 3.127 0.01 . 2 . . . A 34 ARG HD2 . 25630 1 380 . 1 1 34 34 ARG HD3 H 1 3.284 0.01 . 2 . . . A 34 ARG HD3 . 25630 1 381 . 1 1 34 34 ARG HE H 1 7.268 0.01 . 1 . . . A 34 ARG HE . 25630 1 382 . 1 1 34 34 ARG C C 13 178.641 0.10 . 1 . . . A 34 ARG C . 25630 1 383 . 1 1 34 34 ARG CA C 13 59.563 0.10 . 1 . . . A 34 ARG CA . 25630 1 384 . 1 1 34 34 ARG CB C 13 29.978 0.10 . 1 . . . A 34 ARG CB . 25630 1 385 . 1 1 34 34 ARG CG C 13 28.491 0.10 . 1 . . . A 34 ARG CG . 25630 1 386 . 1 1 34 34 ARG CD C 13 43.006 0.10 . 1 . . . A 34 ARG CD . 25630 1 387 . 1 1 34 34 ARG N N 15 119.957 0.10 . 1 . . . A 34 ARG N . 25630 1 388 . 1 1 34 34 ARG NE N 15 84.304 0.10 . 1 . . . A 34 ARG NE . 25630 1 389 . 1 1 35 35 GLY H H 1 8.062 0.01 . 1 . . . A 35 GLY H . 25630 1 390 . 1 1 35 35 GLY HA2 H 1 3.835 0.01 . 2 . . . A 35 GLY HA2 . 25630 1 391 . 1 1 35 35 GLY HA3 H 1 4.039 0.01 . 2 . . . A 35 GLY HA3 . 25630 1 392 . 1 1 35 35 GLY C C 13 176.413 0.10 . 1 . . . A 35 GLY C . 25630 1 393 . 1 1 35 35 GLY CA C 13 46.653 0.10 . 1 . . . A 35 GLY CA . 25630 1 394 . 1 1 35 35 GLY N N 15 106.891 0.10 . 1 . . . A 35 GLY N . 25630 1 395 . 1 1 36 36 LEU H H 1 8.119 0.01 . 1 . . . A 36 LEU H . 25630 1 396 . 1 1 36 36 LEU HA H 1 4.077 0.01 . 1 . . . A 36 LEU HA . 25630 1 397 . 1 1 36 36 LEU HB2 H 1 1.932 0.01 . 2 . . . A 36 LEU HB2 . 25630 1 398 . 1 1 36 36 LEU HB3 H 1 1.564 0.01 . 2 . . . A 36 LEU HB3 . 25630 1 399 . 1 1 36 36 LEU HG H 1 1.661 0.01 . 1 . . . A 36 LEU HG . 25630 1 400 . 1 1 36 36 LEU HD11 H 1 0.919 0.01 . 2 . . . A 36 LEU HD11 . 25630 1 401 . 1 1 36 36 LEU HD12 H 1 0.919 0.01 . 2 . . . A 36 LEU HD12 . 25630 1 402 . 1 1 36 36 LEU HD13 H 1 0.919 0.01 . 2 . . . A 36 LEU HD13 . 25630 1 403 . 1 1 36 36 LEU HD21 H 1 0.939 0.01 . 2 . . . A 36 LEU HD21 . 25630 1 404 . 1 1 36 36 LEU HD22 H 1 0.939 0.01 . 2 . . . A 36 LEU HD22 . 25630 1 405 . 1 1 36 36 LEU HD23 H 1 0.939 0.01 . 2 . . . A 36 LEU HD23 . 25630 1 406 . 1 1 36 36 LEU C C 13 177.848 0.10 . 1 . . . A 36 LEU C . 25630 1 407 . 1 1 36 36 LEU CA C 13 57.160 0.10 . 1 . . . A 36 LEU CA . 25630 1 408 . 1 1 36 36 LEU CB C 13 41.162 0.10 . 1 . . . A 36 LEU CB . 25630 1 409 . 1 1 36 36 LEU CG C 13 26.677 0.10 . 1 . . . A 36 LEU CG . 25630 1 410 . 1 1 36 36 LEU CD1 C 13 25.289 0.10 . 1 . . . A 36 LEU CD1 . 25630 1 411 . 1 1 36 36 LEU CD2 C 13 23.977 0.10 . 1 . . . A 36 LEU CD2 . 25630 1 412 . 1 1 36 36 LEU N N 15 123.784 0.10 . 1 . . . A 36 LEU N . 25630 1 413 . 1 1 37 37 ASN H H 1 7.847 0.01 . 1 . . . A 37 ASN H . 25630 1 414 . 1 1 37 37 ASN HA H 1 4.507 0.01 . 1 . . . A 37 ASN HA . 25630 1 415 . 1 1 37 37 ASN HB2 H 1 2.411 0.01 . 2 . . . A 37 ASN HB2 . 25630 1 416 . 1 1 37 37 ASN HB3 H 1 2.880 0.01 . 2 . . . A 37 ASN HB3 . 25630 1 417 . 1 1 37 37 ASN HD21 H 1 7.761 0.01 . 2 . . . A 37 ASN HD21 . 25630 1 418 . 1 1 37 37 ASN HD22 H 1 6.680 0.01 . 2 . . . A 37 ASN HD22 . 25630 1 419 . 1 1 37 37 ASN C C 13 176.799 0.10 . 1 . . . A 37 ASN C . 25630 1 420 . 1 1 37 37 ASN CA C 13 55.501 0.10 . 1 . . . A 37 ASN CA . 25630 1 421 . 1 1 37 37 ASN CB C 13 38.980 0.10 . 1 . . . A 37 ASN CB . 25630 1 422 . 1 1 37 37 ASN N N 15 116.442 0.10 . 1 . . . A 37 ASN N . 25630 1 423 . 1 1 37 37 ASN ND2 N 15 114.055 0.10 . 1 . . . A 37 ASN ND2 . 25630 1 424 . 1 1 38 38 ASN H H 1 7.982 0.01 . 1 . . . A 38 ASN H . 25630 1 425 . 1 1 38 38 ASN HA H 1 4.421 0.01 . 1 . . . A 38 ASN HA . 25630 1 426 . 1 1 38 38 ASN HB2 H 1 2.819 0.01 . 1 . . . A 38 ASN HB2 . 25630 1 427 . 1 1 38 38 ASN HB3 H 1 2.819 0.01 . 1 . . . A 38 ASN HB3 . 25630 1 428 . 1 1 38 38 ASN HD21 H 1 7.587 0.01 . 2 . . . A 38 ASN HD21 . 25630 1 429 . 1 1 38 38 ASN HD22 H 1 6.889 0.01 . 2 . . . A 38 ASN HD22 . 25630 1 430 . 1 1 38 38 ASN C C 13 175.620 0.10 . 1 . . . A 38 ASN C . 25630 1 431 . 1 1 38 38 ASN CA C 13 54.393 0.10 . 1 . . . A 38 ASN CA . 25630 1 432 . 1 1 38 38 ASN CB C 13 38.079 0.10 . 1 . . . A 38 ASN CB . 25630 1 433 . 1 1 38 38 ASN N N 15 115.049 0.10 . 1 . . . A 38 ASN N . 25630 1 434 . 1 1 38 38 ASN ND2 N 15 112.299 0.10 . 1 . . . A 38 ASN ND2 . 25630 1 435 . 1 1 39 39 ALA H H 1 7.624 0.01 . 1 . . . A 39 ALA H . 25630 1 436 . 1 1 39 39 ALA HA H 1 4.269 0.01 . 1 . . . A 39 ALA HA . 25630 1 437 . 1 1 39 39 ALA HB1 H 1 1.440 0.01 . 1 . . . A 39 ALA HB1 . 25630 1 438 . 1 1 39 39 ALA HB2 H 1 1.440 0.01 . 1 . . . A 39 ALA HB2 . 25630 1 439 . 1 1 39 39 ALA HB3 H 1 1.440 0.01 . 1 . . . A 39 ALA HB3 . 25630 1 440 . 1 1 39 39 ALA C C 13 176.587 0.10 . 1 . . . A 39 ALA C . 25630 1 441 . 1 1 39 39 ALA CA C 13 52.527 0.10 . 1 . . . A 39 ALA CA . 25630 1 442 . 1 1 39 39 ALA CB C 13 18.507 0.10 . 1 . . . A 39 ALA CB . 25630 1 443 . 1 1 39 39 ALA N N 15 119.826 0.10 . 1 . . . A 39 ALA N . 25630 1 444 . 1 1 40 40 ALA H H 1 7.290 0.01 . 1 . . . A 40 ALA H . 25630 1 445 . 1 1 40 40 ALA HA H 1 4.642 0.01 . 1 . . . A 40 ALA HA . 25630 1 446 . 1 1 40 40 ALA HB1 H 1 1.173 0.01 . 1 . . . A 40 ALA HB1 . 25630 1 447 . 1 1 40 40 ALA HB2 H 1 1.173 0.01 . 1 . . . A 40 ALA HB2 . 25630 1 448 . 1 1 40 40 ALA HB3 H 1 1.173 0.01 . 1 . . . A 40 ALA HB3 . 25630 1 449 . 1 1 40 40 ALA C C 13 174.615 0.10 . 1 . . . A 40 ALA C . 25630 1 450 . 1 1 40 40 ALA CA C 13 50.169 0.10 . 1 . . . A 40 ALA CA . 25630 1 451 . 1 1 40 40 ALA CB C 13 17.604 0.10 . 1 . . . A 40 ALA CB . 25630 1 452 . 1 1 40 40 ALA N N 15 120.950 0.10 . 1 . . . A 40 ALA N . 25630 1 453 . 1 1 41 41 ARG H H 1 9.046 0.01 . 1 . . . A 41 ARG H . 25630 1 454 . 1 1 41 41 ARG HA H 1 4.478 0.01 . 1 . . . A 41 ARG HA . 25630 1 455 . 1 1 41 41 ARG HB2 H 1 2.021 0.01 . 2 . . . A 41 ARG HB2 . 25630 1 456 . 1 1 41 41 ARG HB3 H 1 1.814 0.01 . 2 . . . A 41 ARG HB3 . 25630 1 457 . 1 1 41 41 ARG HG2 H 1 1.630 0.01 . 1 . . . A 41 ARG HG2 . 25630 1 458 . 1 1 41 41 ARG HG3 H 1 1.630 0.01 . 1 . . . A 41 ARG HG3 . 25630 1 459 . 1 1 41 41 ARG HD2 H 1 3.233 0.01 . 1 . . . A 41 ARG HD2 . 25630 1 460 . 1 1 41 41 ARG HD3 H 1 3.233 0.01 . 1 . . . A 41 ARG HD3 . 25630 1 461 . 1 1 41 41 ARG HE H 1 7.109 0.01 . 1 . . . A 41 ARG HE . 25630 1 462 . 1 1 41 41 ARG C C 13 176.177 0.10 . 1 . . . A 41 ARG C . 25630 1 463 . 1 1 41 41 ARG CA C 13 56.365 0.10 . 1 . . . A 41 ARG CA . 25630 1 464 . 1 1 41 41 ARG CB C 13 31.618 0.10 . 1 . . . A 41 ARG CB . 25630 1 465 . 1 1 41 41 ARG CG C 13 26.835 0.10 . 1 . . . A 41 ARG CG . 25630 1 466 . 1 1 41 41 ARG CD C 13 42.943 0.10 . 1 . . . A 41 ARG CD . 25630 1 467 . 1 1 41 41 ARG N N 15 122.802 0.10 . 1 . . . A 41 ARG N . 25630 1 468 . 1 1 41 41 ARG NE N 15 84.767 0.10 . 1 . . . A 41 ARG NE . 25630 1 469 . 1 1 42 42 THR H H 1 7.739 0.01 . 1 . . . A 42 THR H . 25630 1 470 . 1 1 42 42 THR HA H 1 4.740 0.01 . 1 . . . A 42 THR HA . 25630 1 471 . 1 1 42 42 THR HB H 1 4.633 0.01 . 1 . . . A 42 THR HB . 25630 1 472 . 1 1 42 42 THR HG21 H 1 1.268 0.01 . 1 . . . A 42 THR HG21 . 25630 1 473 . 1 1 42 42 THR HG22 H 1 1.268 0.01 . 1 . . . A 42 THR HG22 . 25630 1 474 . 1 1 42 42 THR HG23 H 1 1.268 0.01 . 1 . . . A 42 THR HG23 . 25630 1 475 . 1 1 42 42 THR C C 13 174.689 0.10 . 1 . . . A 42 THR C . 25630 1 476 . 1 1 42 42 THR CA C 13 58.871 0.10 . 1 . . . A 42 THR CA . 25630 1 477 . 1 1 42 42 THR CB C 13 72.072 0.10 . 1 . . . A 42 THR CB . 25630 1 478 . 1 1 42 42 THR CG2 C 13 21.268 0.10 . 1 . . . A 42 THR CG2 . 25630 1 479 . 1 1 42 42 THR N N 15 108.733 0.10 . 1 . . . A 42 THR N . 25630 1 480 . 1 1 43 43 THR H H 1 8.836 0.01 . 1 . . . A 43 THR H . 25630 1 481 . 1 1 43 43 THR HA H 1 3.847 0.01 . 1 . . . A 43 THR HA . 25630 1 482 . 1 1 43 43 THR HB H 1 4.008 0.01 . 1 . . . A 43 THR HB . 25630 1 483 . 1 1 43 43 THR HG21 H 1 1.251 0.01 . 1 . . . A 43 THR HG21 . 25630 1 484 . 1 1 43 43 THR HG22 H 1 1.251 0.01 . 1 . . . A 43 THR HG22 . 25630 1 485 . 1 1 43 43 THR HG23 H 1 1.251 0.01 . 1 . . . A 43 THR HG23 . 25630 1 486 . 1 1 43 43 THR C C 13 175.620 0.10 . 1 . . . A 43 THR C . 25630 1 487 . 1 1 43 43 THR CA C 13 67.260 0.10 . 1 . . . A 43 THR CA . 25630 1 488 . 1 1 43 43 THR CB C 13 68.592 0.10 . 1 . . . A 43 THR CB . 25630 1 489 . 1 1 43 43 THR CG2 C 13 21.899 0.10 . 1 . . . A 43 THR CG2 . 25630 1 490 . 1 1 43 43 THR N N 15 119.812 0.10 . 1 . . . A 43 THR N . 25630 1 491 . 1 1 44 44 ILE H H 1 8.101 0.01 . 1 . . . A 44 ILE H . 25630 1 492 . 1 1 44 44 ILE HA H 1 3.757 0.01 . 1 . . . A 44 ILE HA . 25630 1 493 . 1 1 44 44 ILE HB H 1 1.764 0.01 . 1 . . . A 44 ILE HB . 25630 1 494 . 1 1 44 44 ILE HG12 H 1 1.517 0.01 . 2 . . . A 44 ILE HG12 . 25630 1 495 . 1 1 44 44 ILE HG13 H 1 1.256 0.01 . 2 . . . A 44 ILE HG13 . 25630 1 496 . 1 1 44 44 ILE HG21 H 1 0.895 0.01 . 1 . . . A 44 ILE HG21 . 25630 1 497 . 1 1 44 44 ILE HG22 H 1 0.895 0.01 . 1 . . . A 44 ILE HG22 . 25630 1 498 . 1 1 44 44 ILE HG23 H 1 0.895 0.01 . 1 . . . A 44 ILE HG23 . 25630 1 499 . 1 1 44 44 ILE HD11 H 1 0.870 0.01 . 1 . . . A 44 ILE HD11 . 25630 1 500 . 1 1 44 44 ILE HD12 H 1 0.870 0.01 . 1 . . . A 44 ILE HD12 . 25630 1 501 . 1 1 44 44 ILE HD13 H 1 0.870 0.01 . 1 . . . A 44 ILE HD13 . 25630 1 502 . 1 1 44 44 ILE C C 13 178.108 0.10 . 1 . . . A 44 ILE C . 25630 1 503 . 1 1 44 44 ILE CA C 13 63.926 0.10 . 1 . . . A 44 ILE CA . 25630 1 504 . 1 1 44 44 ILE CB C 13 37.142 0.10 . 1 . . . A 44 ILE CB . 25630 1 505 . 1 1 44 44 ILE CG1 C 13 28.768 0.10 . 1 . . . A 44 ILE CG1 . 25630 1 506 . 1 1 44 44 ILE CG2 C 13 16.807 0.10 . 1 . . . A 44 ILE CG2 . 25630 1 507 . 1 1 44 44 ILE CD1 C 13 12.300 0.10 . 1 . . . A 44 ILE CD1 . 25630 1 508 . 1 1 44 44 ILE N N 15 118.906 0.10 . 1 . . . A 44 ILE N . 25630 1 509 . 1 1 45 45 ASP H H 1 7.680 0.01 . 1 . . . A 45 ASP H . 25630 1 510 . 1 1 45 45 ASP HA H 1 4.425 0.01 . 1 . . . A 45 ASP HA . 25630 1 511 . 1 1 45 45 ASP HB2 H 1 2.768 0.01 . 2 . . . A 45 ASP HB2 . 25630 1 512 . 1 1 45 45 ASP HB3 H 1 2.565 0.01 . 2 . . . A 45 ASP HB3 . 25630 1 513 . 1 1 45 45 ASP C C 13 177.785 0.10 . 1 . . . A 45 ASP C . 25630 1 514 . 1 1 45 45 ASP CA C 13 57.295 0.10 . 1 . . . A 45 ASP CA . 25630 1 515 . 1 1 45 45 ASP CB C 13 40.548 0.10 . 1 . . . A 45 ASP CB . 25630 1 516 . 1 1 45 45 ASP N N 15 122.298 0.10 . 1 . . . A 45 ASP N . 25630 1 517 . 1 1 46 46 ARG H H 1 8.515 0.01 . 1 . . . A 46 ARG H . 25630 1 518 . 1 1 46 46 ARG HA H 1 3.876 0.01 . 1 . . . A 46 ARG HA . 25630 1 519 . 1 1 46 46 ARG HB2 H 1 1.948 0.01 . 2 . . . A 46 ARG HB2 . 25630 1 520 . 1 1 46 46 ARG HB3 H 1 1.587 0.01 . 2 . . . A 46 ARG HB3 . 25630 1 521 . 1 1 46 46 ARG HG2 H 1 1.716 0.01 . 2 . . . A 46 ARG HG2 . 25630 1 522 . 1 1 46 46 ARG HG3 H 1 1.589 0.01 . 2 . . . A 46 ARG HG3 . 25630 1 523 . 1 1 46 46 ARG HD2 H 1 3.301 0.01 . 2 . . . A 46 ARG HD2 . 25630 1 524 . 1 1 46 46 ARG HD3 H 1 2.991 0.01 . 2 . . . A 46 ARG HD3 . 25630 1 525 . 1 1 46 46 ARG HE H 1 7.809 0.01 . 1 . . . A 46 ARG HE . 25630 1 526 . 1 1 46 46 ARG C C 13 177.807 0.10 . 1 . . . A 46 ARG C . 25630 1 527 . 1 1 46 46 ARG CA C 13 60.277 0.10 . 1 . . . A 46 ARG CA . 25630 1 528 . 1 1 46 46 ARG CB C 13 30.939 0.10 . 1 . . . A 46 ARG CB . 25630 1 529 . 1 1 46 46 ARG CG C 13 29.528 0.10 . 1 . . . A 46 ARG CG . 25630 1 530 . 1 1 46 46 ARG CD C 13 43.633 0.10 . 1 . . . A 46 ARG CD . 25630 1 531 . 1 1 46 46 ARG N N 15 120.337 0.10 . 1 . . . A 46 ARG N . 25630 1 532 . 1 1 46 46 ARG NE N 15 83.664 0.10 . 1 . . . A 46 ARG NE . 25630 1 533 . 1 1 47 47 ARG H H 1 8.514 0.01 . 1 . . . A 47 ARG H . 25630 1 534 . 1 1 47 47 ARG HA H 1 3.665 0.01 . 1 . . . A 47 ARG HA . 25630 1 535 . 1 1 47 47 ARG HB2 H 1 1.799 0.01 . 1 . . . A 47 ARG HB2 . 25630 1 536 . 1 1 47 47 ARG HB3 H 1 1.799 0.01 . 1 . . . A 47 ARG HB3 . 25630 1 537 . 1 1 47 47 ARG HG2 H 1 1.793 0.01 . 1 . . . A 47 ARG HG2 . 25630 1 538 . 1 1 47 47 ARG HG3 H 1 1.793 0.01 . 1 . . . A 47 ARG HG3 . 25630 1 539 . 1 1 47 47 ARG HD2 H 1 3.135 0.01 . 2 . . . A 47 ARG HD2 . 25630 1 540 . 1 1 47 47 ARG HD3 H 1 2.967 0.01 . 2 . . . A 47 ARG HD3 . 25630 1 541 . 1 1 47 47 ARG HE H 1 7.203 0.01 . 1 . . . A 47 ARG HE . 25630 1 542 . 1 1 47 47 ARG C C 13 178.290 0.10 . 1 . . . A 47 ARG C . 25630 1 543 . 1 1 47 47 ARG CA C 13 60.686 0.10 . 1 . . . A 47 ARG CA . 25630 1 544 . 1 1 47 47 ARG CB C 13 29.376 0.10 . 1 . . . A 47 ARG CB . 25630 1 545 . 1 1 47 47 ARG CG C 13 27.820 0.10 . 1 . . . A 47 ARG CG . 25630 1 546 . 1 1 47 47 ARG CD C 13 43.726 0.10 . 1 . . . A 47 ARG CD . 25630 1 547 . 1 1 47 47 ARG N N 15 119.948 0.10 . 1 . . . A 47 ARG N . 25630 1 548 . 1 1 47 47 ARG NE N 15 85.447 0.10 . 1 . . . A 47 ARG NE . 25630 1 549 . 1 1 48 48 THR H H 1 8.269 0.01 . 1 . . . A 48 THR H . 25630 1 550 . 1 1 48 48 THR HA H 1 3.942 0.01 . 1 . . . A 48 THR HA . 25630 1 551 . 1 1 48 48 THR HB H 1 4.329 0.01 . 1 . . . A 48 THR HB . 25630 1 552 . 1 1 48 48 THR HG21 H 1 1.135 0.01 . 1 . . . A 48 THR HG21 . 25630 1 553 . 1 1 48 48 THR HG22 H 1 1.135 0.01 . 1 . . . A 48 THR HG22 . 25630 1 554 . 1 1 48 48 THR HG23 H 1 1.135 0.01 . 1 . . . A 48 THR HG23 . 25630 1 555 . 1 1 48 48 THR C C 13 175.681 0.10 . 1 . . . A 48 THR C . 25630 1 556 . 1 1 48 48 THR CA C 13 66.372 0.10 . 1 . . . A 48 THR CA . 25630 1 557 . 1 1 48 48 THR CB C 13 68.274 0.10 . 1 . . . A 48 THR CB . 25630 1 558 . 1 1 48 48 THR CG2 C 13 20.725 0.10 . 1 . . . A 48 THR CG2 . 25630 1 559 . 1 1 48 48 THR N N 15 117.694 0.10 . 1 . . . A 48 THR N . 25630 1 560 . 1 1 49 49 ALA H H 1 8.550 0.01 . 1 . . . A 49 ALA H . 25630 1 561 . 1 1 49 49 ALA HA H 1 3.654 0.01 . 1 . . . A 49 ALA HA . 25630 1 562 . 1 1 49 49 ALA HB1 H 1 1.346 0.01 . 1 . . . A 49 ALA HB1 . 25630 1 563 . 1 1 49 49 ALA HB2 H 1 1.346 0.01 . 1 . . . A 49 ALA HB2 . 25630 1 564 . 1 1 49 49 ALA HB3 H 1 1.346 0.01 . 1 . . . A 49 ALA HB3 . 25630 1 565 . 1 1 49 49 ALA C C 13 177.390 0.10 . 1 . . . A 49 ALA C . 25630 1 566 . 1 1 49 49 ALA CA C 13 55.805 0.10 . 1 . . . A 49 ALA CA . 25630 1 567 . 1 1 49 49 ALA CB C 13 16.984 0.10 . 1 . . . A 49 ALA CB . 25630 1 568 . 1 1 49 49 ALA N N 15 124.040 0.10 . 1 . . . A 49 ALA N . 25630 1 569 . 1 1 50 50 CYS H H 1 7.989 0.01 . 1 . . . A 50 CYS H . 25630 1 570 . 1 1 50 50 CYS HA H 1 3.545 0.01 . 1 . . . A 50 CYS HA . 25630 1 571 . 1 1 50 50 CYS HB2 H 1 3.052 0.01 . 2 . . . A 50 CYS HB2 . 25630 1 572 . 1 1 50 50 CYS HB3 H 1 1.703 0.01 . 2 . . . A 50 CYS HB3 . 25630 1 573 . 1 1 50 50 CYS C C 13 175.828 0.10 . 1 . . . A 50 CYS C . 25630 1 574 . 1 1 50 50 CYS CA C 13 60.131 0.10 . 1 . . . A 50 CYS CA . 25630 1 575 . 1 1 50 50 CYS CB C 13 34.259 0.10 . 1 . . . A 50 CYS CB . 25630 1 576 . 1 1 50 50 CYS N N 15 116.329 0.10 . 1 . . . A 50 CYS N . 25630 1 577 . 1 1 51 51 ASN H H 1 8.323 0.01 . 1 . . . A 51 ASN H . 25630 1 578 . 1 1 51 51 ASN HA H 1 4.378 0.01 . 1 . . . A 51 ASN HA . 25630 1 579 . 1 1 51 51 ASN HB2 H 1 2.819 0.01 . 2 . . . A 51 ASN HB2 . 25630 1 580 . 1 1 51 51 ASN HB3 H 1 2.673 0.01 . 2 . . . A 51 ASN HB3 . 25630 1 581 . 1 1 51 51 ASN HD21 H 1 7.188 0.01 . 2 . . . A 51 ASN HD21 . 25630 1 582 . 1 1 51 51 ASN HD22 H 1 7.118 0.01 . 2 . . . A 51 ASN HD22 . 25630 1 583 . 1 1 51 51 ASN C C 13 178.199 0.10 . 1 . . . A 51 ASN C . 25630 1 584 . 1 1 51 51 ASN CA C 13 56.565 0.10 . 1 . . . A 51 ASN CA . 25630 1 585 . 1 1 51 51 ASN CB C 13 38.593 0.10 . 1 . . . A 51 ASN CB . 25630 1 586 . 1 1 51 51 ASN N N 15 120.444 0.10 . 1 . . . A 51 ASN N . 25630 1 587 . 1 1 51 51 ASN ND2 N 15 114.899 0.10 . 1 . . . A 51 ASN ND2 . 25630 1 588 . 1 1 52 52 CYS H H 1 8.782 0.01 . 1 . . . A 52 CYS H . 25630 1 589 . 1 1 52 52 CYS HA H 1 4.373 0.01 . 1 . . . A 52 CYS HA . 25630 1 590 . 1 1 52 52 CYS HB2 H 1 2.999 0.01 . 2 . . . A 52 CYS HB2 . 25630 1 591 . 1 1 52 52 CYS HB3 H 1 3.020 0.01 . 2 . . . A 52 CYS HB3 . 25630 1 592 . 1 1 52 52 CYS C C 13 177.254 0.10 . 1 . . . A 52 CYS C . 25630 1 593 . 1 1 52 52 CYS CA C 13 57.075 0.10 . 1 . . . A 52 CYS CA . 25630 1 594 . 1 1 52 52 CYS CB C 13 36.261 0.10 . 1 . . . A 52 CYS CB . 25630 1 595 . 1 1 52 52 CYS N N 15 119.488 0.10 . 1 . . . A 52 CYS N . 25630 1 596 . 1 1 53 53 LEU H H 1 8.549 0.01 . 1 . . . A 53 LEU H . 25630 1 597 . 1 1 53 53 LEU HA H 1 3.901 0.01 . 1 . . . A 53 LEU HA . 25630 1 598 . 1 1 53 53 LEU HB2 H 1 2.085 0.01 . 2 . . . A 53 LEU HB2 . 25630 1 599 . 1 1 53 53 LEU HB3 H 1 1.377 0.01 . 2 . . . A 53 LEU HB3 . 25630 1 600 . 1 1 53 53 LEU HG H 1 1.711 0.01 . 1 . . . A 53 LEU HG . 25630 1 601 . 1 1 53 53 LEU HD11 H 1 0.936 0.01 . 2 . . . A 53 LEU HD11 . 25630 1 602 . 1 1 53 53 LEU HD12 H 1 0.936 0.01 . 2 . . . A 53 LEU HD12 . 25630 1 603 . 1 1 53 53 LEU HD13 H 1 0.936 0.01 . 2 . . . A 53 LEU HD13 . 25630 1 604 . 1 1 53 53 LEU HD21 H 1 0.732 0.01 . 2 . . . A 53 LEU HD21 . 25630 1 605 . 1 1 53 53 LEU HD22 H 1 0.732 0.01 . 2 . . . A 53 LEU HD22 . 25630 1 606 . 1 1 53 53 LEU HD23 H 1 0.732 0.01 . 2 . . . A 53 LEU HD23 . 25630 1 607 . 1 1 53 53 LEU C C 13 177.359 0.10 . 1 . . . A 53 LEU C . 25630 1 608 . 1 1 53 53 LEU CA C 13 57.761 0.10 . 1 . . . A 53 LEU CA . 25630 1 609 . 1 1 53 53 LEU CB C 13 41.156 0.10 . 1 . . . A 53 LEU CB . 25630 1 610 . 1 1 53 53 LEU CG C 13 26.908 0.10 . 1 . . . A 53 LEU CG . 25630 1 611 . 1 1 53 53 LEU CD1 C 13 25.612 0.10 . 1 . . . A 53 LEU CD1 . 25630 1 612 . 1 1 53 53 LEU CD2 C 13 23.408 0.10 . 1 . . . A 53 LEU CD2 . 25630 1 613 . 1 1 53 53 LEU N N 15 122.617 0.10 . 1 . . . A 53 LEU N . 25630 1 614 . 1 1 54 54 LYS H H 1 8.409 0.01 . 1 . . . A 54 LYS H . 25630 1 615 . 1 1 54 54 LYS HA H 1 4.000 0.01 . 1 . . . A 54 LYS HA . 25630 1 616 . 1 1 54 54 LYS HB2 H 1 1.987 0.01 . 1 . . . A 54 LYS HB2 . 25630 1 617 . 1 1 54 54 LYS HB3 H 1 1.987 0.01 . 1 . . . A 54 LYS HB3 . 25630 1 618 . 1 1 54 54 LYS HG2 H 1 1.698 0.01 . 2 . . . A 54 LYS HG2 . 25630 1 619 . 1 1 54 54 LYS HG3 H 1 1.320 0.01 . 2 . . . A 54 LYS HG3 . 25630 1 620 . 1 1 54 54 LYS HD2 H 1 1.920 0.01 . 2 . . . A 54 LYS HD2 . 25630 1 621 . 1 1 54 54 LYS HD3 H 1 1.726 0.01 . 2 . . . A 54 LYS HD3 . 25630 1 622 . 1 1 54 54 LYS HE2 H 1 3.013 0.01 . 1 . . . A 54 LYS HE2 . 25630 1 623 . 1 1 54 54 LYS HE3 H 1 3.013 0.01 . 1 . . . A 54 LYS HE3 . 25630 1 624 . 1 1 54 54 LYS C C 13 178.656 0.10 . 1 . . . A 54 LYS C . 25630 1 625 . 1 1 54 54 LYS CA C 13 59.520 0.10 . 1 . . . A 54 LYS CA . 25630 1 626 . 1 1 54 54 LYS CB C 13 33.175 0.10 . 1 . . . A 54 LYS CB . 25630 1 627 . 1 1 54 54 LYS CG C 13 24.472 0.10 . 1 . . . A 54 LYS CG . 25630 1 628 . 1 1 54 54 LYS CD C 13 30.005 0.10 . 1 . . . A 54 LYS CD . 25630 1 629 . 1 1 54 54 LYS CE C 13 42.360 0.10 . 1 . . . A 54 LYS CE . 25630 1 630 . 1 1 54 54 LYS N N 15 122.313 0.10 . 1 . . . A 54 LYS N . 25630 1 631 . 1 1 55 55 GLN H H 1 7.735 0.01 . 1 . . . A 55 GLN H . 25630 1 632 . 1 1 55 55 GLN HA H 1 4.122 0.01 . 1 . . . A 55 GLN HA . 25630 1 633 . 1 1 55 55 GLN HB2 H 1 2.214 0.01 . 1 . . . A 55 GLN HB2 . 25630 1 634 . 1 1 55 55 GLN HB3 H 1 2.214 0.01 . 1 . . . A 55 GLN HB3 . 25630 1 635 . 1 1 55 55 GLN HG2 H 1 2.444 0.01 . 2 . . . A 55 GLN HG2 . 25630 1 636 . 1 1 55 55 GLN HG3 H 1 2.541 0.01 . 2 . . . A 55 GLN HG3 . 25630 1 637 . 1 1 55 55 GLN HE21 H 1 7.392 0.01 . 2 . . . A 55 GLN HE21 . 25630 1 638 . 1 1 55 55 GLN HE22 H 1 6.768 0.01 . 2 . . . A 55 GLN HE22 . 25630 1 639 . 1 1 55 55 GLN C C 13 179.074 0.10 . 1 . . . A 55 GLN C . 25630 1 640 . 1 1 55 55 GLN CA C 13 58.354 0.10 . 1 . . . A 55 GLN CA . 25630 1 641 . 1 1 55 55 GLN CB C 13 27.875 0.10 . 1 . . . A 55 GLN CB . 25630 1 642 . 1 1 55 55 GLN CG C 13 33.513 0.10 . 1 . . . A 55 GLN CG . 25630 1 643 . 1 1 55 55 GLN N N 15 117.604 0.10 . 1 . . . A 55 GLN N . 25630 1 644 . 1 1 55 55 GLN NE2 N 15 111.326 0.10 . 1 . . . A 55 GLN NE2 . 25630 1 645 . 1 1 56 56 THR H H 1 8.091 0.01 . 1 . . . A 56 THR H . 25630 1 646 . 1 1 56 56 THR HA H 1 3.884 0.01 . 1 . . . A 56 THR HA . 25630 1 647 . 1 1 56 56 THR HB H 1 4.108 0.01 . 1 . . . A 56 THR HB . 25630 1 648 . 1 1 56 56 THR HG21 H 1 1.090 0.01 . 1 . . . A 56 THR HG21 . 25630 1 649 . 1 1 56 56 THR HG22 H 1 1.090 0.01 . 1 . . . A 56 THR HG22 . 25630 1 650 . 1 1 56 56 THR HG23 H 1 1.090 0.01 . 1 . . . A 56 THR HG23 . 25630 1 651 . 1 1 56 56 THR C C 13 175.389 0.10 . 1 . . . A 56 THR C . 25630 1 652 . 1 1 56 56 THR CA C 13 66.829 0.10 . 1 . . . A 56 THR CA . 25630 1 653 . 1 1 56 56 THR CB C 13 68.401 0.10 . 1 . . . A 56 THR CB . 25630 1 654 . 1 1 56 56 THR CG2 C 13 20.690 0.10 . 1 . . . A 56 THR CG2 . 25630 1 655 . 1 1 56 56 THR N N 15 118.464 0.10 . 1 . . . A 56 THR N . 25630 1 656 . 1 1 57 57 ALA H H 1 8.619 0.01 . 1 . . . A 57 ALA H . 25630 1 657 . 1 1 57 57 ALA HA H 1 3.852 0.01 . 1 . . . A 57 ALA HA . 25630 1 658 . 1 1 57 57 ALA HB1 H 1 1.162 0.01 . 1 . . . A 57 ALA HB1 . 25630 1 659 . 1 1 57 57 ALA HB2 H 1 1.162 0.01 . 1 . . . A 57 ALA HB2 . 25630 1 660 . 1 1 57 57 ALA HB3 H 1 1.162 0.01 . 1 . . . A 57 ALA HB3 . 25630 1 661 . 1 1 57 57 ALA C C 13 178.061 0.10 . 1 . . . A 57 ALA C . 25630 1 662 . 1 1 57 57 ALA CA C 13 54.457 0.10 . 1 . . . A 57 ALA CA . 25630 1 663 . 1 1 57 57 ALA CB C 13 16.448 0.10 . 1 . . . A 57 ALA CB . 25630 1 664 . 1 1 57 57 ALA N N 15 121.609 0.10 . 1 . . . A 57 ALA N . 25630 1 665 . 1 1 58 58 ASN H H 1 7.695 0.01 . 1 . . . A 58 ASN H . 25630 1 666 . 1 1 58 58 ASN HA H 1 4.446 0.01 . 1 . . . A 58 ASN HA . 25630 1 667 . 1 1 58 58 ASN HB2 H 1 2.799 0.01 . 1 . . . A 58 ASN HB2 . 25630 1 668 . 1 1 58 58 ASN HB3 H 1 2.799 0.01 . 1 . . . A 58 ASN HB3 . 25630 1 669 . 1 1 58 58 ASN HD21 H 1 7.487 0.01 . 2 . . . A 58 ASN HD21 . 25630 1 670 . 1 1 58 58 ASN HD22 H 1 7.072 0.01 . 2 . . . A 58 ASN HD22 . 25630 1 671 . 1 1 58 58 ASN C C 13 174.706 0.10 . 1 . . . A 58 ASN C . 25630 1 672 . 1 1 58 58 ASN CA C 13 54.894 0.10 . 1 . . . A 58 ASN CA . 25630 1 673 . 1 1 58 58 ASN CB C 13 39.606 0.10 . 1 . . . A 58 ASN CB . 25630 1 674 . 1 1 58 58 ASN N N 15 113.169 0.10 . 1 . . . A 58 ASN N . 25630 1 675 . 1 1 58 58 ASN ND2 N 15 114.167 0.10 . 1 . . . A 58 ASN ND2 . 25630 1 676 . 1 1 59 59 ALA H H 1 7.506 0.01 . 1 . . . A 59 ALA H . 25630 1 677 . 1 1 59 59 ALA HA H 1 4.382 0.01 . 1 . . . A 59 ALA HA . 25630 1 678 . 1 1 59 59 ALA HB1 H 1 1.495 0.01 . 1 . . . A 59 ALA HB1 . 25630 1 679 . 1 1 59 59 ALA HB2 H 1 1.495 0.01 . 1 . . . A 59 ALA HB2 . 25630 1 680 . 1 1 59 59 ALA HB3 H 1 1.495 0.01 . 1 . . . A 59 ALA HB3 . 25630 1 681 . 1 1 59 59 ALA C C 13 176.966 0.10 . 1 . . . A 59 ALA C . 25630 1 682 . 1 1 59 59 ALA CA C 13 52.142 0.10 . 1 . . . A 59 ALA CA . 25630 1 683 . 1 1 59 59 ALA CB C 13 19.235 0.10 . 1 . . . A 59 ALA CB . 25630 1 684 . 1 1 59 59 ALA N N 15 119.952 0.10 . 1 . . . A 59 ALA N . 25630 1 685 . 1 1 60 60 ILE H H 1 7.184 0.01 . 1 . . . A 60 ILE H . 25630 1 686 . 1 1 60 60 ILE HA H 1 4.067 0.01 . 1 . . . A 60 ILE HA . 25630 1 687 . 1 1 60 60 ILE HB H 1 1.839 0.01 . 1 . . . A 60 ILE HB . 25630 1 688 . 1 1 60 60 ILE HG12 H 1 1.782 0.01 . 2 . . . A 60 ILE HG12 . 25630 1 689 . 1 1 60 60 ILE HG13 H 1 0.971 0.01 . 2 . . . A 60 ILE HG13 . 25630 1 690 . 1 1 60 60 ILE HG21 H 1 0.778 0.01 . 1 . . . A 60 ILE HG21 . 25630 1 691 . 1 1 60 60 ILE HG22 H 1 0.778 0.01 . 1 . . . A 60 ILE HG22 . 25630 1 692 . 1 1 60 60 ILE HG23 H 1 0.778 0.01 . 1 . . . A 60 ILE HG23 . 25630 1 693 . 1 1 60 60 ILE HD11 H 1 0.677 0.01 . 1 . . . A 60 ILE HD11 . 25630 1 694 . 1 1 60 60 ILE HD12 H 1 0.677 0.01 . 1 . . . A 60 ILE HD12 . 25630 1 695 . 1 1 60 60 ILE HD13 H 1 0.677 0.01 . 1 . . . A 60 ILE HD13 . 25630 1 696 . 1 1 60 60 ILE C C 13 175.009 0.10 . 1 . . . A 60 ILE C . 25630 1 697 . 1 1 60 60 ILE CA C 13 60.557 0.10 . 1 . . . A 60 ILE CA . 25630 1 698 . 1 1 60 60 ILE CB C 13 37.427 0.10 . 1 . . . A 60 ILE CB . 25630 1 699 . 1 1 60 60 ILE CG1 C 13 26.243 0.10 . 1 . . . A 60 ILE CG1 . 25630 1 700 . 1 1 60 60 ILE CG2 C 13 17.317 0.10 . 1 . . . A 60 ILE CG2 . 25630 1 701 . 1 1 60 60 ILE CD1 C 13 13.333 0.10 . 1 . . . A 60 ILE CD1 . 25630 1 702 . 1 1 60 60 ILE N N 15 120.027 0.10 . 1 . . . A 60 ILE N . 25630 1 703 . 1 1 61 61 ALA H H 1 8.486 0.01 . 1 . . . A 61 ALA H . 25630 1 704 . 1 1 61 61 ALA HA H 1 4.151 0.01 . 1 . . . A 61 ALA HA . 25630 1 705 . 1 1 61 61 ALA HB1 H 1 1.368 0.01 . 1 . . . A 61 ALA HB1 . 25630 1 706 . 1 1 61 61 ALA HB2 H 1 1.368 0.01 . 1 . . . A 61 ALA HB2 . 25630 1 707 . 1 1 61 61 ALA HB3 H 1 1.368 0.01 . 1 . . . A 61 ALA HB3 . 25630 1 708 . 1 1 61 61 ALA C C 13 177.709 0.10 . 1 . . . A 61 ALA C . 25630 1 709 . 1 1 61 61 ALA CA C 13 53.789 0.10 . 1 . . . A 61 ALA CA . 25630 1 710 . 1 1 61 61 ALA CB C 13 18.322 0.10 . 1 . . . A 61 ALA CB . 25630 1 711 . 1 1 61 61 ALA N N 15 130.970 0.10 . 1 . . . A 61 ALA N . 25630 1 712 . 1 1 62 62 ASP H H 1 8.543 0.01 . 1 . . . A 62 ASP H . 25630 1 713 . 1 1 62 62 ASP HA H 1 4.479 0.01 . 1 . . . A 62 ASP HA . 25630 1 714 . 1 1 62 62 ASP HB2 H 1 2.936 0.01 . 2 . . . A 62 ASP HB2 . 25630 1 715 . 1 1 62 62 ASP HB3 H 1 2.628 0.01 . 2 . . . A 62 ASP HB3 . 25630 1 716 . 1 1 62 62 ASP C C 13 174.354 0.10 . 1 . . . A 62 ASP C . 25630 1 717 . 1 1 62 62 ASP CA C 13 52.461 0.10 . 1 . . . A 62 ASP CA . 25630 1 718 . 1 1 62 62 ASP CB C 13 37.900 0.10 . 1 . . . A 62 ASP CB . 25630 1 719 . 1 1 62 62 ASP N N 15 114.991 0.10 . 1 . . . A 62 ASP N . 25630 1 720 . 1 1 63 63 LEU H H 1 7.012 0.01 . 1 . . . A 63 LEU H . 25630 1 721 . 1 1 63 63 LEU HA H 1 3.766 0.01 . 1 . . . A 63 LEU HA . 25630 1 722 . 1 1 63 63 LEU HB2 H 1 1.593 0.01 . 2 . . . A 63 LEU HB2 . 25630 1 723 . 1 1 63 63 LEU HB3 H 1 1.675 0.01 . 2 . . . A 63 LEU HB3 . 25630 1 724 . 1 1 63 63 LEU HG H 1 1.354 0.01 . 1 . . . A 63 LEU HG . 25630 1 725 . 1 1 63 63 LEU HD11 H 1 0.870 0.01 . 2 . . . A 63 LEU HD11 . 25630 1 726 . 1 1 63 63 LEU HD12 H 1 0.870 0.01 . 2 . . . A 63 LEU HD12 . 25630 1 727 . 1 1 63 63 LEU HD13 H 1 0.870 0.01 . 2 . . . A 63 LEU HD13 . 25630 1 728 . 1 1 63 63 LEU HD21 H 1 0.844 0.01 . 2 . . . A 63 LEU HD21 . 25630 1 729 . 1 1 63 63 LEU HD22 H 1 0.844 0.01 . 2 . . . A 63 LEU HD22 . 25630 1 730 . 1 1 63 63 LEU HD23 H 1 0.844 0.01 . 2 . . . A 63 LEU HD23 . 25630 1 731 . 1 1 63 63 LEU C C 13 175.646 0.10 . 1 . . . A 63 LEU C . 25630 1 732 . 1 1 63 63 LEU CA C 13 55.561 0.10 . 1 . . . A 63 LEU CA . 25630 1 733 . 1 1 63 63 LEU CB C 13 42.180 0.10 . 1 . . . A 63 LEU CB . 25630 1 734 . 1 1 63 63 LEU CG C 13 26.230 0.10 . 1 . . . A 63 LEU CG . 25630 1 735 . 1 1 63 63 LEU CD1 C 13 24.726 0.10 . 1 . . . A 63 LEU CD1 . 25630 1 736 . 1 1 63 63 LEU CD2 C 13 25.902 0.10 . 1 . . . A 63 LEU CD2 . 25630 1 737 . 1 1 63 63 LEU N N 15 118.657 0.10 . 1 . . . A 63 LEU N . 25630 1 738 . 1 1 64 64 ASN H H 1 8.947 0.01 . 1 . . . A 64 ASN H . 25630 1 739 . 1 1 64 64 ASN HA H 1 4.711 0.01 . 1 . . . A 64 ASN HA . 25630 1 740 . 1 1 64 64 ASN HB2 H 1 3.037 0.01 . 2 . . . A 64 ASN HB2 . 25630 1 741 . 1 1 64 64 ASN HB3 H 1 2.506 0.01 . 2 . . . A 64 ASN HB3 . 25630 1 742 . 1 1 64 64 ASN HD21 H 1 8.182 0.01 . 2 . . . A 64 ASN HD21 . 25630 1 743 . 1 1 64 64 ASN HD22 H 1 6.963 0.01 . 2 . . . A 64 ASN HD22 . 25630 1 744 . 1 1 64 64 ASN C C 13 175.086 0.10 . 1 . . . A 64 ASN C . 25630 1 745 . 1 1 64 64 ASN CA C 13 51.664 0.10 . 1 . . . A 64 ASN CA . 25630 1 746 . 1 1 64 64 ASN CB C 13 37.101 0.10 . 1 . . . A 64 ASN CB . 25630 1 747 . 1 1 64 64 ASN N N 15 125.123 0.10 . 1 . . . A 64 ASN N . 25630 1 748 . 1 1 64 64 ASN ND2 N 15 113.933 0.10 . 1 . . . A 64 ASN ND2 . 25630 1 749 . 1 1 65 65 LEU H H 1 8.515 0.01 . 1 . . . A 65 LEU H . 25630 1 750 . 1 1 65 65 LEU HA H 1 3.915 0.01 . 1 . . . A 65 LEU HA . 25630 1 751 . 1 1 65 65 LEU HB2 H 1 1.791 0.01 . 2 . . . A 65 LEU HB2 . 25630 1 752 . 1 1 65 65 LEU HB3 H 1 1.562 0.01 . 2 . . . A 65 LEU HB3 . 25630 1 753 . 1 1 65 65 LEU HG H 1 1.776 0.01 . 1 . . . A 65 LEU HG . 25630 1 754 . 1 1 65 65 LEU HD11 H 1 0.980 0.01 . 2 . . . A 65 LEU HD11 . 25630 1 755 . 1 1 65 65 LEU HD12 H 1 0.980 0.01 . 2 . . . A 65 LEU HD12 . 25630 1 756 . 1 1 65 65 LEU HD13 H 1 0.980 0.01 . 2 . . . A 65 LEU HD13 . 25630 1 757 . 1 1 65 65 LEU HD21 H 1 0.886 0.01 . 2 . . . A 65 LEU HD21 . 25630 1 758 . 1 1 65 65 LEU HD22 H 1 0.886 0.01 . 2 . . . A 65 LEU HD22 . 25630 1 759 . 1 1 65 65 LEU HD23 H 1 0.886 0.01 . 2 . . . A 65 LEU HD23 . 25630 1 760 . 1 1 65 65 LEU C C 13 179.923 0.10 . 1 . . . A 65 LEU C . 25630 1 761 . 1 1 65 65 LEU CA C 13 57.744 0.10 . 1 . . . A 65 LEU CA . 25630 1 762 . 1 1 65 65 LEU CB C 13 40.932 0.10 . 1 . . . A 65 LEU CB . 25630 1 763 . 1 1 65 65 LEU CG C 13 26.966 0.10 . 1 . . . A 65 LEU CG . 25630 1 764 . 1 1 65 65 LEU CD1 C 13 24.865 0.10 . 1 . . . A 65 LEU CD1 . 25630 1 765 . 1 1 65 65 LEU CD2 C 13 22.726 0.10 . 1 . . . A 65 LEU CD2 . 25630 1 766 . 1 1 65 65 LEU N N 15 126.541 0.10 . 1 . . . A 65 LEU N . 25630 1 767 . 1 1 66 66 ASN H H 1 8.376 0.01 . 1 . . . A 66 ASN H . 25630 1 768 . 1 1 66 66 ASN HA H 1 4.515 0.01 . 1 . . . A 66 ASN HA . 25630 1 769 . 1 1 66 66 ASN HB2 H 1 2.930 0.01 . 2 . . . A 66 ASN HB2 . 25630 1 770 . 1 1 66 66 ASN HB3 H 1 2.792 0.01 . 2 . . . A 66 ASN HB3 . 25630 1 771 . 1 1 66 66 ASN HD21 H 1 7.649 0.01 . 2 . . . A 66 ASN HD21 . 25630 1 772 . 1 1 66 66 ASN HD22 H 1 6.963 0.01 . 2 . . . A 66 ASN HD22 . 25630 1 773 . 1 1 66 66 ASN C C 13 177.832 0.10 . 1 . . . A 66 ASN C . 25630 1 774 . 1 1 66 66 ASN CA C 13 55.848 0.10 . 1 . . . A 66 ASN CA . 25630 1 775 . 1 1 66 66 ASN CB C 13 37.670 0.10 . 1 . . . A 66 ASN CB . 25630 1 776 . 1 1 66 66 ASN N N 15 119.258 0.10 . 1 . . . A 66 ASN N . 25630 1 777 . 1 1 66 66 ASN ND2 N 15 113.484 0.10 . 1 . . . A 66 ASN ND2 . 25630 1 778 . 1 1 67 67 ALA H H 1 7.835 0.01 . 1 . . . A 67 ALA H . 25630 1 779 . 1 1 67 67 ALA HA H 1 4.144 0.01 . 1 . . . A 67 ALA HA . 25630 1 780 . 1 1 67 67 ALA HB1 H 1 1.314 0.01 . 1 . . . A 67 ALA HB1 . 25630 1 781 . 1 1 67 67 ALA HB2 H 1 1.314 0.01 . 1 . . . A 67 ALA HB2 . 25630 1 782 . 1 1 67 67 ALA HB3 H 1 1.314 0.01 . 1 . . . A 67 ALA HB3 . 25630 1 783 . 1 1 67 67 ALA C C 13 180.849 0.10 . 1 . . . A 67 ALA C . 25630 1 784 . 1 1 67 67 ALA CA C 13 53.639 0.10 . 1 . . . A 67 ALA CA . 25630 1 785 . 1 1 67 67 ALA CB C 13 17.340 0.10 . 1 . . . A 67 ALA CB . 25630 1 786 . 1 1 67 67 ALA N N 15 125.139 0.10 . 1 . . . A 67 ALA N . 25630 1 787 . 1 1 68 68 ALA H H 1 8.187 0.01 . 1 . . . A 68 ALA H . 25630 1 788 . 1 1 68 68 ALA HA H 1 3.959 0.01 . 1 . . . A 68 ALA HA . 25630 1 789 . 1 1 68 68 ALA HB1 H 1 1.457 0.01 . 1 . . . A 68 ALA HB1 . 25630 1 790 . 1 1 68 68 ALA HB2 H 1 1.457 0.01 . 1 . . . A 68 ALA HB2 . 25630 1 791 . 1 1 68 68 ALA HB3 H 1 1.457 0.01 . 1 . . . A 68 ALA HB3 . 25630 1 792 . 1 1 68 68 ALA C C 13 178.092 0.10 . 1 . . . A 68 ALA C . 25630 1 793 . 1 1 68 68 ALA CA C 13 54.893 0.10 . 1 . . . A 68 ALA CA . 25630 1 794 . 1 1 68 68 ALA CB C 13 17.324 0.10 . 1 . . . A 68 ALA CB . 25630 1 795 . 1 1 68 68 ALA N N 15 119.901 0.10 . 1 . . . A 68 ALA N . 25630 1 796 . 1 1 69 69 ALA H H 1 7.987 0.01 . 1 . . . A 69 ALA H . 25630 1 797 . 1 1 69 69 ALA HA H 1 4.233 0.01 . 1 . . . A 69 ALA HA . 25630 1 798 . 1 1 69 69 ALA HB1 H 1 1.564 0.01 . 1 . . . A 69 ALA HB1 . 25630 1 799 . 1 1 69 69 ALA HB2 H 1 1.564 0.01 . 1 . . . A 69 ALA HB2 . 25630 1 800 . 1 1 69 69 ALA HB3 H 1 1.564 0.01 . 1 . . . A 69 ALA HB3 . 25630 1 801 . 1 1 69 69 ALA C C 13 179.953 0.10 . 1 . . . A 69 ALA C . 25630 1 802 . 1 1 69 69 ALA CA C 13 54.247 0.10 . 1 . . . A 69 ALA CA . 25630 1 803 . 1 1 69 69 ALA CB C 13 17.943 0.10 . 1 . . . A 69 ALA CB . 25630 1 804 . 1 1 69 69 ALA N N 15 118.169 0.10 . 1 . . . A 69 ALA N . 25630 1 805 . 1 1 70 70 GLY H H 1 7.736 0.01 . 1 . . . A 70 GLY H . 25630 1 806 . 1 1 70 70 GLY HA2 H 1 4.311 0.01 . 2 . . . A 70 GLY HA2 . 25630 1 807 . 1 1 70 70 GLY HA3 H 1 3.805 0.01 . 2 . . . A 70 GLY HA3 . 25630 1 808 . 1 1 70 70 GLY C C 13 173.713 0.10 . 1 . . . A 70 GLY C . 25630 1 809 . 1 1 70 70 GLY CA C 13 44.759 0.10 . 1 . . . A 70 GLY CA . 25630 1 810 . 1 1 70 70 GLY N N 15 102.097 0.10 . 1 . . . A 70 GLY N . 25630 1 811 . 1 1 71 71 LEU H H 1 7.180 0.01 . 1 . . . A 71 LEU H . 25630 1 812 . 1 1 71 71 LEU HA H 1 4.384 0.01 . 1 . . . A 71 LEU HA . 25630 1 813 . 1 1 71 71 LEU HB2 H 1 2.030 0.01 . 1 . . . A 71 LEU HB2 . 25630 1 814 . 1 1 71 71 LEU HB3 H 1 2.030 0.01 . 1 . . . A 71 LEU HB3 . 25630 1 815 . 1 1 71 71 LEU HG H 1 1.441 0.01 . 1 . . . A 71 LEU HG . 25630 1 816 . 1 1 71 71 LEU HD11 H 1 0.982 0.01 . 2 . . . A 71 LEU HD11 . 25630 1 817 . 1 1 71 71 LEU HD12 H 1 0.982 0.01 . 2 . . . A 71 LEU HD12 . 25630 1 818 . 1 1 71 71 LEU HD13 H 1 0.982 0.01 . 2 . . . A 71 LEU HD13 . 25630 1 819 . 1 1 71 71 LEU HD21 H 1 0.908 0.01 . 2 . . . A 71 LEU HD21 . 25630 1 820 . 1 1 71 71 LEU HD22 H 1 0.908 0.01 . 2 . . . A 71 LEU HD22 . 25630 1 821 . 1 1 71 71 LEU HD23 H 1 0.908 0.01 . 2 . . . A 71 LEU HD23 . 25630 1 822 . 1 1 71 71 LEU C C 13 173.650 0.10 . 1 . . . A 71 LEU C . 25630 1 823 . 1 1 71 71 LEU CA C 13 59.180 0.10 . 1 . . . A 71 LEU CA . 25630 1 824 . 1 1 71 71 LEU CB C 13 39.573 0.10 . 1 . . . A 71 LEU CB . 25630 1 825 . 1 1 71 71 LEU CG C 13 27.371 0.10 . 1 . . . A 71 LEU CG . 25630 1 826 . 1 1 71 71 LEU CD1 C 13 25.293 0.10 . 1 . . . A 71 LEU CD1 . 25630 1 827 . 1 1 71 71 LEU CD2 C 13 25.528 0.10 . 1 . . . A 71 LEU CD2 . 25630 1 828 . 1 1 71 71 LEU N N 15 121.365 0.10 . 1 . . . A 71 LEU N . 25630 1 829 . 1 1 72 72 PRO HA H 1 3.870 0.01 . 1 . . . A 72 PRO HA . 25630 1 830 . 1 1 72 72 PRO HB2 H 1 2.108 0.01 . 1 . . . A 72 PRO HB2 . 25630 1 831 . 1 1 72 72 PRO HG2 H 1 2.407 0.01 . 2 . . . A 72 PRO HG2 . 25630 1 832 . 1 1 72 72 PRO HG3 H 1 1.458 0.01 . 2 . . . A 72 PRO HG3 . 25630 1 833 . 1 1 72 72 PRO HD2 H 1 3.742 0.01 . 1 . . . A 72 PRO HD2 . 25630 1 834 . 1 1 72 72 PRO HD3 H 1 3.742 0.01 . 1 . . . A 72 PRO HD3 . 25630 1 835 . 1 1 72 72 PRO CA C 13 67.297 0.10 . 1 . . . A 72 PRO CA . 25630 1 836 . 1 1 72 72 PRO CB C 13 30.585 0.10 . 1 . . . A 72 PRO CB . 25630 1 837 . 1 1 72 72 PRO CG C 13 28.797 0.10 . 1 . . . A 72 PRO CG . 25630 1 838 . 1 1 72 72 PRO CD C 13 49.256 0.10 . 1 . . . A 72 PRO CD . 25630 1 839 . 1 1 73 73 ALA H H 1 7.959 0.01 . 1 . . . A 73 ALA H . 25630 1 840 . 1 1 73 73 ALA HA H 1 4.108 0.01 . 1 . . . A 73 ALA HA . 25630 1 841 . 1 1 73 73 ALA HB1 H 1 1.453 0.01 . 1 . . . A 73 ALA HB1 . 25630 1 842 . 1 1 73 73 ALA HB2 H 1 1.453 0.01 . 1 . . . A 73 ALA HB2 . 25630 1 843 . 1 1 73 73 ALA HB3 H 1 1.453 0.01 . 1 . . . A 73 ALA HB3 . 25630 1 844 . 1 1 73 73 ALA C C 13 181.784 0.10 . 1 . . . A 73 ALA C . 25630 1 845 . 1 1 73 73 ALA CA C 13 54.924 0.10 . 1 . . . A 73 ALA CA . 25630 1 846 . 1 1 73 73 ALA CB C 13 17.718 0.10 . 1 . . . A 73 ALA CB . 25630 1 847 . 1 1 73 73 ALA N N 15 119.120 0.10 . 1 . . . A 73 ALA N . 25630 1 848 . 1 1 74 74 LYS H H 1 8.259 0.01 . 1 . . . A 74 LYS H . 25630 1 849 . 1 1 74 74 LYS HA H 1 4.059 0.01 . 1 . . . A 74 LYS HA . 25630 1 850 . 1 1 74 74 LYS HB2 H 1 1.974 0.01 . 2 . . . A 74 LYS HB2 . 25630 1 851 . 1 1 74 74 LYS HB3 H 1 1.858 0.01 . 2 . . . A 74 LYS HB3 . 25630 1 852 . 1 1 74 74 LYS HG2 H 1 1.470 0.01 . 2 . . . A 74 LYS HG2 . 25630 1 853 . 1 1 74 74 LYS HG3 H 1 1.610 0.01 . 2 . . . A 74 LYS HG3 . 25630 1 854 . 1 1 74 74 LYS HD2 H 1 1.656 0.01 . 1 . . . A 74 LYS HD2 . 25630 1 855 . 1 1 74 74 LYS HD3 H 1 1.656 0.01 . 1 . . . A 74 LYS HD3 . 25630 1 856 . 1 1 74 74 LYS HE2 H 1 3.001 0.01 . 1 . . . A 74 LYS HE2 . 25630 1 857 . 1 1 74 74 LYS HE3 H 1 3.001 0.01 . 1 . . . A 74 LYS HE3 . 25630 1 858 . 1 1 74 74 LYS C C 13 178.488 0.10 . 1 . . . A 74 LYS C . 25630 1 859 . 1 1 74 74 LYS CA C 13 58.725 0.10 . 1 . . . A 74 LYS CA . 25630 1 860 . 1 1 74 74 LYS CB C 13 32.390 0.10 . 1 . . . A 74 LYS CB . 25630 1 861 . 1 1 74 74 LYS CG C 13 25.519 0.10 . 1 . . . A 74 LYS CG . 25630 1 862 . 1 1 74 74 LYS CD C 13 28.943 0.10 . 1 . . . A 74 LYS CD . 25630 1 863 . 1 1 74 74 LYS CE C 13 41.972 0.10 . 1 . . . A 74 LYS CE . 25630 1 864 . 1 1 74 74 LYS N N 15 119.785 0.10 . 1 . . . A 74 LYS N . 25630 1 865 . 1 1 75 75 CYS H H 1 7.807 0.01 . 1 . . . A 75 CYS H . 25630 1 866 . 1 1 75 75 CYS HA H 1 4.759 0.01 . 1 . . . A 75 CYS HA . 25630 1 867 . 1 1 75 75 CYS HB2 H 1 2.614 0.01 . 2 . . . A 75 CYS HB2 . 25630 1 868 . 1 1 75 75 CYS HB3 H 1 3.066 0.01 . 2 . . . A 75 CYS HB3 . 25630 1 869 . 1 1 75 75 CYS C C 13 174.445 0.10 . 1 . . . A 75 CYS C . 25630 1 870 . 1 1 75 75 CYS CA C 13 52.907 0.10 . 1 . . . A 75 CYS CA . 25630 1 871 . 1 1 75 75 CYS CB C 13 35.891 0.10 . 1 . . . A 75 CYS CB . 25630 1 872 . 1 1 75 75 CYS N N 15 114.446 0.10 . 1 . . . A 75 CYS N . 25630 1 873 . 1 1 76 76 GLY H H 1 7.987 0.01 . 1 . . . A 76 GLY H . 25630 1 874 . 1 1 76 76 GLY HA2 H 1 3.965 0.01 . 2 . . . A 76 GLY HA2 . 25630 1 875 . 1 1 76 76 GLY HA3 H 1 3.817 0.01 . 2 . . . A 76 GLY HA3 . 25630 1 876 . 1 1 76 76 GLY C C 13 173.789 0.10 . 1 . . . A 76 GLY C . 25630 1 877 . 1 1 76 76 GLY CA C 13 46.203 0.10 . 1 . . . A 76 GLY CA . 25630 1 878 . 1 1 76 76 GLY N N 15 110.871 0.10 . 1 . . . A 76 GLY N . 25630 1 879 . 1 1 77 77 VAL H H 1 8.168 0.01 . 1 . . . A 77 VAL H . 25630 1 880 . 1 1 77 77 VAL HA H 1 4.149 0.01 . 1 . . . A 77 VAL HA . 25630 1 881 . 1 1 77 77 VAL HB H 1 1.642 0.01 . 1 . . . A 77 VAL HB . 25630 1 882 . 1 1 77 77 VAL HG11 H 1 0.764 0.01 . 2 . . . A 77 VAL HG11 . 25630 1 883 . 1 1 77 77 VAL HG12 H 1 0.764 0.01 . 2 . . . A 77 VAL HG12 . 25630 1 884 . 1 1 77 77 VAL HG13 H 1 0.764 0.01 . 2 . . . A 77 VAL HG13 . 25630 1 885 . 1 1 77 77 VAL HG21 H 1 0.692 0.01 . 2 . . . A 77 VAL HG21 . 25630 1 886 . 1 1 77 77 VAL HG22 H 1 0.692 0.01 . 2 . . . A 77 VAL HG22 . 25630 1 887 . 1 1 77 77 VAL HG23 H 1 0.692 0.01 . 2 . . . A 77 VAL HG23 . 25630 1 888 . 1 1 77 77 VAL C C 13 173.606 0.10 . 1 . . . A 77 VAL C . 25630 1 889 . 1 1 77 77 VAL CA C 13 60.010 0.10 . 1 . . . A 77 VAL CA . 25630 1 890 . 1 1 77 77 VAL CB C 13 33.888 0.10 . 1 . . . A 77 VAL CB . 25630 1 891 . 1 1 77 77 VAL CG1 C 13 21.320 0.10 . 1 . . . A 77 VAL CG1 . 25630 1 892 . 1 1 77 77 VAL CG2 C 13 20.760 0.10 . 1 . . . A 77 VAL CG2 . 25630 1 893 . 1 1 77 77 VAL N N 15 119.259 0.10 . 1 . . . A 77 VAL N . 25630 1 894 . 1 1 78 78 ASN H H 1 8.595 0.01 . 1 . . . A 78 ASN H . 25630 1 895 . 1 1 78 78 ASN HA H 1 4.687 0.01 . 1 . . . A 78 ASN HA . 25630 1 896 . 1 1 78 78 ASN HB2 H 1 2.699 0.01 . 2 . . . A 78 ASN HB2 . 25630 1 897 . 1 1 78 78 ASN HB3 H 1 2.546 0.01 . 2 . . . A 78 ASN HB3 . 25630 1 898 . 1 1 78 78 ASN HD21 H 1 7.421 0.01 . 2 . . . A 78 ASN HD21 . 25630 1 899 . 1 1 78 78 ASN HD22 H 1 6.725 0.01 . 2 . . . A 78 ASN HD22 . 25630 1 900 . 1 1 78 78 ASN C C 13 173.972 0.10 . 1 . . . A 78 ASN C . 25630 1 901 . 1 1 78 78 ASN CA C 13 51.804 0.10 . 1 . . . A 78 ASN CA . 25630 1 902 . 1 1 78 78 ASN CB C 13 37.522 0.10 . 1 . . . A 78 ASN CB . 25630 1 903 . 1 1 78 78 ASN N N 15 125.739 0.10 . 1 . . . A 78 ASN N . 25630 1 904 . 1 1 78 78 ASN ND2 N 15 111.828 0.10 . 1 . . . A 78 ASN ND2 . 25630 1 905 . 1 1 79 79 ILE H H 1 7.490 0.01 . 1 . . . A 79 ILE H . 25630 1 906 . 1 1 79 79 ILE HA H 1 4.407 0.01 . 1 . . . A 79 ILE HA . 25630 1 907 . 1 1 79 79 ILE HB H 1 1.355 0.01 . 1 . . . A 79 ILE HB . 25630 1 908 . 1 1 79 79 ILE HG12 H 1 1.266 0.01 . 2 . . . A 79 ILE HG12 . 25630 1 909 . 1 1 79 79 ILE HG13 H 1 0.838 0.01 . 2 . . . A 79 ILE HG13 . 25630 1 910 . 1 1 79 79 ILE HG21 H 1 0.359 0.01 . 1 . . . A 79 ILE HG21 . 25630 1 911 . 1 1 79 79 ILE HG22 H 1 0.359 0.01 . 1 . . . A 79 ILE HG22 . 25630 1 912 . 1 1 79 79 ILE HG23 H 1 0.359 0.01 . 1 . . . A 79 ILE HG23 . 25630 1 913 . 1 1 79 79 ILE HD11 H 1 0.556 0.01 . 1 . . . A 79 ILE HD11 . 25630 1 914 . 1 1 79 79 ILE HD12 H 1 0.556 0.01 . 1 . . . A 79 ILE HD12 . 25630 1 915 . 1 1 79 79 ILE HD13 H 1 0.556 0.01 . 1 . . . A 79 ILE HD13 . 25630 1 916 . 1 1 79 79 ILE C C 13 175.707 0.10 . 1 . . . A 79 ILE C . 25630 1 917 . 1 1 79 79 ILE CA C 13 57.263 0.10 . 1 . . . A 79 ILE CA . 25630 1 918 . 1 1 79 79 ILE CB C 13 38.692 0.10 . 1 . . . A 79 ILE CB . 25630 1 919 . 1 1 79 79 ILE CG1 C 13 26.613 0.10 . 1 . . . A 79 ILE CG1 . 25630 1 920 . 1 1 79 79 ILE CG2 C 13 16.065 0.10 . 1 . . . A 79 ILE CG2 . 25630 1 921 . 1 1 79 79 ILE CD1 C 13 11.589 0.10 . 1 . . . A 79 ILE CD1 . 25630 1 922 . 1 1 79 79 ILE N N 15 123.269 0.10 . 1 . . . A 79 ILE N . 25630 1 923 . 1 1 80 80 PRO HA H 1 4.545 0.01 . 1 . . . A 80 PRO HA . 25630 1 924 . 1 1 80 80 PRO HB2 H 1 2.115 0.01 . 2 . . . A 80 PRO HB2 . 25630 1 925 . 1 1 80 80 PRO HB3 H 1 2.306 0.01 . 2 . . . A 80 PRO HB3 . 25630 1 926 . 1 1 80 80 PRO HG2 H 1 2.084 0.01 . 2 . . . A 80 PRO HG2 . 25630 1 927 . 1 1 80 80 PRO HG3 H 1 1.792 0.01 . 2 . . . A 80 PRO HG3 . 25630 1 928 . 1 1 80 80 PRO HD2 H 1 3.835 0.01 . 2 . . . A 80 PRO HD2 . 25630 1 929 . 1 1 80 80 PRO HD3 H 1 3.374 0.01 . 2 . . . A 80 PRO HD3 . 25630 1 930 . 1 1 80 80 PRO C C 13 173.928 0.10 . 1 . . . A 80 PRO C . 25630 1 931 . 1 1 80 80 PRO CA C 13 63.769 0.10 . 1 . . . A 80 PRO CA . 25630 1 932 . 1 1 80 80 PRO CB C 13 30.333 0.10 . 1 . . . A 80 PRO CB . 25630 1 933 . 1 1 80 80 PRO CG C 13 26.782 0.10 . 1 . . . A 80 PRO CG . 25630 1 934 . 1 1 80 80 PRO CD C 13 50.573 0.10 . 1 . . . A 80 PRO CD . 25630 1 935 . 1 1 81 81 TYR H H 1 6.566 0.01 . 1 . . . A 81 TYR H . 25630 1 936 . 1 1 81 81 TYR HA H 1 4.756 0.01 . 1 . . . A 81 TYR HA . 25630 1 937 . 1 1 81 81 TYR HB2 H 1 3.018 0.01 . 2 . . . A 81 TYR HB2 . 25630 1 938 . 1 1 81 81 TYR HB3 H 1 2.856 0.01 . 2 . . . A 81 TYR HB3 . 25630 1 939 . 1 1 81 81 TYR HD1 H 1 6.583 0.01 . 1 . . . A 81 TYR HD1 . 25630 1 940 . 1 1 81 81 TYR HD2 H 1 6.583 0.01 . 1 . . . A 81 TYR HD2 . 25630 1 941 . 1 1 81 81 TYR HE1 H 1 6.507 0.01 . 1 . . . A 81 TYR HE1 . 25630 1 942 . 1 1 81 81 TYR HE2 H 1 6.507 0.01 . 1 . . . A 81 TYR HE2 . 25630 1 943 . 1 1 81 81 TYR C C 13 172.554 0.10 . 1 . . . A 81 TYR C . 25630 1 944 . 1 1 81 81 TYR CA C 13 54.217 0.10 . 1 . . . A 81 TYR CA . 25630 1 945 . 1 1 81 81 TYR CB C 13 39.435 0.10 . 1 . . . A 81 TYR CB . 25630 1 946 . 1 1 81 81 TYR CD1 C 13 132.920 0.10 . 1 . . . A 81 TYR CD1 . 25630 1 947 . 1 1 81 81 TYR CE1 C 13 117.373 0.10 . 1 . . . A 81 TYR CE1 . 25630 1 948 . 1 1 81 81 TYR N N 15 115.596 0.10 . 1 . . . A 81 TYR N . 25630 1 949 . 1 1 82 82 LYS H H 1 8.170 0.01 . 1 . . . A 82 LYS H . 25630 1 950 . 1 1 82 82 LYS HA H 1 4.407 0.01 . 1 . . . A 82 LYS HA . 25630 1 951 . 1 1 82 82 LYS HB2 H 1 1.642 0.01 . 2 . . . A 82 LYS HB2 . 25630 1 952 . 1 1 82 82 LYS HB3 H 1 1.705 0.01 . 2 . . . A 82 LYS HB3 . 25630 1 953 . 1 1 82 82 LYS HG2 H 1 1.482 0.01 . 2 . . . A 82 LYS HG2 . 25630 1 954 . 1 1 82 82 LYS HG3 H 1 1.271 0.01 . 2 . . . A 82 LYS HG3 . 25630 1 955 . 1 1 82 82 LYS HD2 H 1 1.655 0.01 . 1 . . . A 82 LYS HD2 . 25630 1 956 . 1 1 82 82 LYS HD3 H 1 1.655 0.01 . 1 . . . A 82 LYS HD3 . 25630 1 957 . 1 1 82 82 LYS HE2 H 1 2.951 0.01 . 1 . . . A 82 LYS HE2 . 25630 1 958 . 1 1 82 82 LYS HE3 H 1 2.951 0.01 . 1 . . . A 82 LYS HE3 . 25630 1 959 . 1 1 82 82 LYS C C 13 176.795 0.10 . 1 . . . A 82 LYS C . 25630 1 960 . 1 1 82 82 LYS CA C 13 54.523 0.10 . 1 . . . A 82 LYS CA . 25630 1 961 . 1 1 82 82 LYS CB C 13 33.584 0.10 . 1 . . . A 82 LYS CB . 25630 1 962 . 1 1 82 82 LYS CG C 13 24.600 0.10 . 1 . . . A 82 LYS CG . 25630 1 963 . 1 1 82 82 LYS CD C 13 28.796 0.10 . 1 . . . A 82 LYS CD . 25630 1 964 . 1 1 82 82 LYS CE C 13 41.686 0.10 . 1 . . . A 82 LYS CE . 25630 1 965 . 1 1 82 82 LYS N N 15 118.572 0.10 . 1 . . . A 82 LYS N . 25630 1 966 . 1 1 83 83 ILE H H 1 9.374 0.01 . 1 . . . A 83 ILE H . 25630 1 967 . 1 1 83 83 ILE HA H 1 4.059 0.01 . 1 . . . A 83 ILE HA . 25630 1 968 . 1 1 83 83 ILE HB H 1 1.893 0.01 . 1 . . . A 83 ILE HB . 25630 1 969 . 1 1 83 83 ILE HG12 H 1 1.423 0.01 . 2 . . . A 83 ILE HG12 . 25630 1 970 . 1 1 83 83 ILE HG13 H 1 0.991 0.01 . 2 . . . A 83 ILE HG13 . 25630 1 971 . 1 1 83 83 ILE HG21 H 1 0.683 0.01 . 1 . . . A 83 ILE HG21 . 25630 1 972 . 1 1 83 83 ILE HG22 H 1 0.683 0.01 . 1 . . . A 83 ILE HG22 . 25630 1 973 . 1 1 83 83 ILE HG23 H 1 0.683 0.01 . 1 . . . A 83 ILE HG23 . 25630 1 974 . 1 1 83 83 ILE HD11 H 1 0.835 0.01 . 1 . . . A 83 ILE HD11 . 25630 1 975 . 1 1 83 83 ILE HD12 H 1 0.835 0.01 . 1 . . . A 83 ILE HD12 . 25630 1 976 . 1 1 83 83 ILE HD13 H 1 0.835 0.01 . 1 . . . A 83 ILE HD13 . 25630 1 977 . 1 1 83 83 ILE CA C 13 61.386 0.10 . 1 . . . A 83 ILE CA . 25630 1 978 . 1 1 83 83 ILE CB C 13 35.648 0.10 . 1 . . . A 83 ILE CB . 25630 1 979 . 1 1 83 83 ILE CG1 C 13 26.627 0.10 . 1 . . . A 83 ILE CG1 . 25630 1 980 . 1 1 83 83 ILE CG2 C 13 16.031 0.10 . 1 . . . A 83 ILE CG2 . 25630 1 981 . 1 1 83 83 ILE CD1 C 13 12.426 0.10 . 1 . . . A 83 ILE CD1 . 25630 1 982 . 1 1 83 83 ILE N N 15 128.219 0.10 . 1 . . . A 83 ILE N . 25630 1 983 . 1 1 84 84 SER H H 1 6.689 0.01 . 1 . . . A 84 SER H . 25630 1 984 . 1 1 84 84 SER HA H 1 4.702 0.01 . 1 . . . A 84 SER HA . 25630 1 985 . 1 1 84 84 SER HB2 H 1 4.027 0.01 . 2 . . . A 84 SER HB2 . 25630 1 986 . 1 1 84 84 SER HB3 H 1 3.603 0.01 . 2 . . . A 84 SER HB3 . 25630 1 987 . 1 1 84 84 SER C C 13 176.398 0.10 . 1 . . . A 84 SER C . 25630 1 988 . 1 1 84 84 SER CA C 13 54.826 0.10 . 1 . . . A 84 SER CA . 25630 1 989 . 1 1 84 84 SER CB C 13 64.454 0.10 . 1 . . . A 84 SER CB . 25630 1 990 . 1 1 84 84 SER N N 15 121.442 0.10 . 1 . . . A 84 SER N . 25630 1 991 . 1 1 85 85 PRO HA H 1 4.563 0.01 . 1 . . . A 85 PRO HA . 25630 1 992 . 1 1 85 85 PRO HB2 H 1 2.254 0.01 . 2 . . . A 85 PRO HB2 . 25630 1 993 . 1 1 85 85 PRO HB3 H 1 2.035 0.01 . 2 . . . A 85 PRO HB3 . 25630 1 994 . 1 1 85 85 PRO HG2 H 1 2.086 0.01 . 2 . . . A 85 PRO HG2 . 25630 1 995 . 1 1 85 85 PRO HG3 H 1 1.833 0.01 . 2 . . . A 85 PRO HG3 . 25630 1 996 . 1 1 85 85 PRO HD2 H 1 3.950 0.01 . 2 . . . A 85 PRO HD2 . 25630 1 997 . 1 1 85 85 PRO HD3 H 1 3.381 0.01 . 2 . . . A 85 PRO HD3 . 25630 1 998 . 1 1 85 85 PRO CA C 13 63.711 0.10 . 1 . . . A 85 PRO CA . 25630 1 999 . 1 1 85 85 PRO CB C 13 31.930 0.10 . 1 . . . A 85 PRO CB . 25630 1 1000 . 1 1 85 85 PRO CG C 13 26.675 0.10 . 1 . . . A 85 PRO CG . 25630 1 1001 . 1 1 85 85 PRO CD C 13 50.782 0.10 . 1 . . . A 85 PRO CD . 25630 1 1002 . 1 1 86 86 SER H H 1 7.947 0.01 . 1 . . . A 86 SER H . 25630 1 1003 . 1 1 86 86 SER HA H 1 4.638 0.01 . 1 . . . A 86 SER HA . 25630 1 1004 . 1 1 86 86 SER HB2 H 1 3.917 0.01 . 2 . . . A 86 SER HB2 . 25630 1 1005 . 1 1 86 86 SER HB3 H 1 3.838 0.01 . 2 . . . A 86 SER HB3 . 25630 1 1006 . 1 1 86 86 SER CA C 13 56.757 0.10 . 1 . . . A 86 SER CA . 25630 1 1007 . 1 1 86 86 SER CB C 13 63.491 0.10 . 1 . . . A 86 SER CB . 25630 1 1008 . 1 1 86 86 SER N N 15 109.474 0.10 . 1 . . . A 86 SER N . 25630 1 1009 . 1 1 87 87 THR HA H 1 3.809 0.01 . 1 . . . A 87 THR HA . 25630 1 1010 . 1 1 87 87 THR HB H 1 3.993 0.01 . 1 . . . A 87 THR HB . 25630 1 1011 . 1 1 87 87 THR HG21 H 1 1.218 0.01 . 1 . . . A 87 THR HG21 . 25630 1 1012 . 1 1 87 87 THR HG22 H 1 1.218 0.01 . 1 . . . A 87 THR HG22 . 25630 1 1013 . 1 1 87 87 THR HG23 H 1 1.218 0.01 . 1 . . . A 87 THR HG23 . 25630 1 1014 . 1 1 87 87 THR C C 13 171.688 0.10 . 1 . . . A 87 THR C . 25630 1 1015 . 1 1 87 87 THR CA C 13 63.765 0.10 . 1 . . . A 87 THR CA . 25630 1 1016 . 1 1 87 87 THR CB C 13 69.896 0.10 . 1 . . . A 87 THR CB . 25630 1 1017 . 1 1 87 87 THR CG2 C 13 21.975 0.10 . 1 . . . A 87 THR CG2 . 25630 1 1018 . 1 1 88 88 ASP H H 1 8.628 0.01 . 1 . . . A 88 ASP H . 25630 1 1019 . 1 1 88 88 ASP HA H 1 4.789 0.01 . 1 . . . A 88 ASP HA . 25630 1 1020 . 1 1 88 88 ASP HB2 H 1 2.893 0.01 . 2 . . . A 88 ASP HB2 . 25630 1 1021 . 1 1 88 88 ASP HB3 H 1 2.614 0.01 . 2 . . . A 88 ASP HB3 . 25630 1 1022 . 1 1 88 88 ASP CA C 13 51.746 0.10 . 1 . . . A 88 ASP CA . 25630 1 1023 . 1 1 88 88 ASP CB C 13 38.906 0.10 . 1 . . . A 88 ASP CB . 25630 1 1024 . 1 1 88 88 ASP N N 15 124.634 0.10 . 1 . . . A 88 ASP N . 25630 1 1025 . 1 1 89 89 CYS H H 1 8.647 0.01 . 1 . . . A 89 CYS H . 25630 1 1026 . 1 1 89 89 CYS HA H 1 4.425 0.01 . 1 . . . A 89 CYS HA . 25630 1 1027 . 1 1 89 89 CYS HB2 H 1 2.787 0.01 . 2 . . . A 89 CYS HB2 . 25630 1 1028 . 1 1 89 89 CYS HB3 H 1 2.986 0.01 . 2 . . . A 89 CYS HB3 . 25630 1 1029 . 1 1 89 89 CYS C C 13 175.346 0.10 . 1 . . . A 89 CYS C . 25630 1 1030 . 1 1 89 89 CYS CA C 13 54.899 0.10 . 1 . . . A 89 CYS CA . 25630 1 1031 . 1 1 89 89 CYS CB C 13 36.960 0.10 . 1 . . . A 89 CYS CB . 25630 1 1032 . 1 1 89 89 CYS N N 15 125.452 0.10 . 1 . . . A 89 CYS N . 25630 1 1033 . 1 1 90 90 ASN H H 1 8.348 0.01 . 1 . . . A 90 ASN H . 25630 1 1034 . 1 1 90 90 ASN HA H 1 4.456 0.01 . 1 . . . A 90 ASN HA . 25630 1 1035 . 1 1 90 90 ASN HB2 H 1 2.955 0.01 . 2 . . . A 90 ASN HB2 . 25630 1 1036 . 1 1 90 90 ASN HB3 H 1 2.791 0.01 . 2 . . . A 90 ASN HB3 . 25630 1 1037 . 1 1 90 90 ASN HD21 H 1 7.818 0.01 . 2 . . . A 90 ASN HD21 . 25630 1 1038 . 1 1 90 90 ASN HD22 H 1 6.956 0.01 . 2 . . . A 90 ASN HD22 . 25630 1 1039 . 1 1 90 90 ASN C C 13 175.437 0.10 . 1 . . . A 90 ASN C . 25630 1 1040 . 1 1 90 90 ASN CA C 13 54.691 0.10 . 1 . . . A 90 ASN CA . 25630 1 1041 . 1 1 90 90 ASN CB C 13 37.607 0.10 . 1 . . . A 90 ASN CB . 25630 1 1042 . 1 1 90 90 ASN N N 15 116.267 0.10 . 1 . . . A 90 ASN N . 25630 1 1043 . 1 1 90 90 ASN ND2 N 15 114.587 0.10 . 1 . . . A 90 ASN ND2 . 25630 1 1044 . 1 1 91 91 ARG H H 1 7.133 0.01 . 1 . . . A 91 ARG H . 25630 1 1045 . 1 1 91 91 ARG HA H 1 4.322 0.01 . 1 . . . A 91 ARG HA . 25630 1 1046 . 1 1 91 91 ARG HB2 H 1 2.050 0.01 . 2 . . . A 91 ARG HB2 . 25630 1 1047 . 1 1 91 91 ARG HB3 H 1 1.675 0.01 . 2 . . . A 91 ARG HB3 . 25630 1 1048 . 1 1 91 91 ARG HG2 H 1 1.594 0.01 . 1 . . . A 91 ARG HG2 . 25630 1 1049 . 1 1 91 91 ARG HG3 H 1 1.594 0.01 . 1 . . . A 91 ARG HG3 . 25630 1 1050 . 1 1 91 91 ARG HD2 H 1 3.196 0.01 . 1 . . . A 91 ARG HD2 . 25630 1 1051 . 1 1 91 91 ARG HD3 H 1 3.196 0.01 . 1 . . . A 91 ARG HD3 . 25630 1 1052 . 1 1 91 91 ARG HE H 1 7.219 0.01 . 1 . . . A 91 ARG HE . 25630 1 1053 . 1 1 91 91 ARG C C 13 175.783 0.10 . 1 . . . A 91 ARG C . 25630 1 1054 . 1 1 91 91 ARG CA C 13 54.915 0.10 . 1 . . . A 91 ARG CA . 25630 1 1055 . 1 1 91 91 ARG CB C 13 30.145 0.10 . 1 . . . A 91 ARG CB . 25630 1 1056 . 1 1 91 91 ARG CG C 13 26.670 0.10 . 1 . . . A 91 ARG CG . 25630 1 1057 . 1 1 91 91 ARG CD C 13 42.869 0.10 . 1 . . . A 91 ARG CD . 25630 1 1058 . 1 1 91 91 ARG N N 15 115.341 0.10 . 1 . . . A 91 ARG N . 25630 1 1059 . 1 1 91 91 ARG NE N 15 84.723 0.10 . 1 . . . A 91 ARG NE . 25630 1 1060 . 1 1 92 92 VAL H H 1 6.990 0.01 . 1 . . . A 92 VAL H . 25630 1 1061 . 1 1 92 92 VAL HA H 1 3.949 0.01 . 1 . . . A 92 VAL HA . 25630 1 1062 . 1 1 92 92 VAL HB H 1 2.109 0.01 . 1 . . . A 92 VAL HB . 25630 1 1063 . 1 1 92 92 VAL HG11 H 1 0.926 0.01 . 2 . . . A 92 VAL HG11 . 25630 1 1064 . 1 1 92 92 VAL HG12 H 1 0.926 0.01 . 2 . . . A 92 VAL HG12 . 25630 1 1065 . 1 1 92 92 VAL HG13 H 1 0.926 0.01 . 2 . . . A 92 VAL HG13 . 25630 1 1066 . 1 1 92 92 VAL HG21 H 1 1.092 0.01 . 2 . . . A 92 VAL HG21 . 25630 1 1067 . 1 1 92 92 VAL HG22 H 1 1.092 0.01 . 2 . . . A 92 VAL HG22 . 25630 1 1068 . 1 1 92 92 VAL HG23 H 1 1.092 0.01 . 2 . . . A 92 VAL HG23 . 25630 1 1069 . 1 1 92 92 VAL C C 13 174.084 0.10 . 1 . . . A 92 VAL C . 25630 1 1070 . 1 1 92 92 VAL CA C 13 62.875 0.10 . 1 . . . A 92 VAL CA . 25630 1 1071 . 1 1 92 92 VAL CB C 13 32.316 0.10 . 1 . . . A 92 VAL CB . 25630 1 1072 . 1 1 92 92 VAL CG1 C 13 21.458 0.10 . 1 . . . A 92 VAL CG1 . 25630 1 1073 . 1 1 92 92 VAL CG2 C 13 23.408 0.10 . 1 . . . A 92 VAL CG2 . 25630 1 1074 . 1 1 92 92 VAL N N 15 121.309 0.10 . 1 . . . A 92 VAL N . 25630 1 1075 . 1 1 93 93 VAL H H 1 7.770 0.01 . 1 . . . A 93 VAL H . 25630 1 1076 . 1 1 93 93 VAL HA H 1 4.239 0.01 . 1 . . . A 93 VAL HA . 25630 1 1077 . 1 1 93 93 VAL HB H 1 2.086 0.01 . 1 . . . A 93 VAL HB . 25630 1 1078 . 1 1 93 93 VAL HG11 H 1 0.892 0.01 . 2 . . . A 93 VAL HG11 . 25630 1 1079 . 1 1 93 93 VAL HG12 H 1 0.892 0.01 . 2 . . . A 93 VAL HG12 . 25630 1 1080 . 1 1 93 93 VAL HG13 H 1 0.892 0.01 . 2 . . . A 93 VAL HG13 . 25630 1 1081 . 1 1 93 93 VAL HG21 H 1 0.869 0.01 . 2 . . . A 93 VAL HG21 . 25630 1 1082 . 1 1 93 93 VAL HG22 H 1 0.869 0.01 . 2 . . . A 93 VAL HG22 . 25630 1 1083 . 1 1 93 93 VAL HG23 H 1 0.869 0.01 . 2 . . . A 93 VAL HG23 . 25630 1 1084 . 1 1 93 93 VAL C C 13 180.545 0.10 . 1 . . . A 93 VAL C . 25630 1 1085 . 1 1 93 93 VAL CA C 13 62.715 0.10 . 1 . . . A 93 VAL CA . 25630 1 1086 . 1 1 93 93 VAL CB C 13 33.278 0.10 . 1 . . . A 93 VAL CB . 25630 1 1087 . 1 1 93 93 VAL CG1 C 13 21.430 0.10 . 1 . . . A 93 VAL CG1 . 25630 1 1088 . 1 1 93 93 VAL CG2 C 13 19.427 0.10 . 1 . . . A 93 VAL CG2 . 25630 1 1089 . 1 1 93 93 VAL N N 15 127.902 0.10 . 1 . . . A 93 VAL N . 25630 1 stop_ save_