data_34498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34498 _Entry.Title ; solution structure of cold-shock domain 9 of drosophila Upstream of N-Ras (Unr) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-06 _Entry.Accession_date 2020-03-06 _Entry.Last_release_date 2020-07-13 _Entry.Original_release_date 2020-07-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 L. Sweetapple L. J. . . 34498 2 N. Hollmann N. M. . . 34498 3 B. Simon B. . . . 34498 4 J. Hennig J. . . . 34498 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CSD . 34498 RBP . 34498 'RNA BINDING PROTEIN' . 34498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 34498 '15N chemical shifts' 91 34498 '1H chemical shifts' 562 34498 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-15 2020-03-06 update BMRB 'update entry citation' 34498 1 . . 2020-07-14 2020-03-06 original author 'original release' 34498 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y96 'BMRB Entry Tracking System' 34498 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34498 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32697992 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Pseudo-RNA binding domains mediate RNA structure specificity in Upstream of N-Ras ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _Citation.Journal_CSD 0353 _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 107930 _Citation.Page_last 107930 _Citation.Year 2020 _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 N. Hollmann N. M. . . 34498 1 2 P. Jagtap P. K.A. . . 34498 1 3 P. Masiewicz P. . . . 34498 1 4 T. Guitart T. . . . 34498 1 5 B. Simon B. . . . 34498 1 6 J. Provaznik J. . . . 34498 1 7 F. Stein F. . . . 34498 1 8 P. Haberkant P. . . . 34498 1 9 L. Sweetapple L. J. . . 34498 1 10 L. Villacorte L. . . . 34498 1 11 D. Mooijman D. . . . 34498 1 12 V. Benes V. . . . 34498 1 13 M. Savitski M. . . . 34498 1 14 F. Gebauer F. . . . 34498 1 15 J. Hennig J. . . . 34498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34498 _Assembly.ID 1 _Assembly.Name 'Upstream of N-ras, isoform A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 unit_1 1 $entity_1 A A yes . . . . . . 34498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAKGDLVSFRIDESGRAACV NAVRQKKRATVDSIKGQFGF LNFEVEDGKKLFFHMSEVQG NTVALHPGDTVEFSVVTNQR NGKSSACNVLKIND ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10246.532 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'the first two residues (GA) are leftovers from the cleavage/cloning sequence' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34498 1 2 . ALA . 34498 1 3 . LYS . 34498 1 4 . GLY . 34498 1 5 . ASP . 34498 1 6 . LEU . 34498 1 7 . VAL . 34498 1 8 . SER . 34498 1 9 . PHE . 34498 1 10 . ARG . 34498 1 11 . ILE . 34498 1 12 . ASP . 34498 1 13 . GLU . 34498 1 14 . SER . 34498 1 15 . GLY . 34498 1 16 . ARG . 34498 1 17 . ALA . 34498 1 18 . ALA . 34498 1 19 . CYS . 34498 1 20 . VAL . 34498 1 21 . ASN . 34498 1 22 . ALA . 34498 1 23 . VAL . 34498 1 24 . ARG . 34498 1 25 . GLN . 34498 1 26 . LYS . 34498 1 27 . LYS . 34498 1 28 . ARG . 34498 1 29 . ALA . 34498 1 30 . THR . 34498 1 31 . VAL . 34498 1 32 . ASP . 34498 1 33 . SER . 34498 1 34 . ILE . 34498 1 35 . LYS . 34498 1 36 . GLY . 34498 1 37 . GLN . 34498 1 38 . PHE . 34498 1 39 . GLY . 34498 1 40 . PHE . 34498 1 41 . LEU . 34498 1 42 . ASN . 34498 1 43 . PHE . 34498 1 44 . GLU . 34498 1 45 . VAL . 34498 1 46 . GLU . 34498 1 47 . ASP . 34498 1 48 . GLY . 34498 1 49 . LYS . 34498 1 50 . LYS . 34498 1 51 . LEU . 34498 1 52 . PHE . 34498 1 53 . PHE . 34498 1 54 . HIS . 34498 1 55 . MET . 34498 1 56 . SER . 34498 1 57 . GLU . 34498 1 58 . VAL . 34498 1 59 . GLN . 34498 1 60 . GLY . 34498 1 61 . ASN . 34498 1 62 . THR . 34498 1 63 . VAL . 34498 1 64 . ALA . 34498 1 65 . LEU . 34498 1 66 . HIS . 34498 1 67 . PRO . 34498 1 68 . GLY . 34498 1 69 . ASP . 34498 1 70 . THR . 34498 1 71 . VAL . 34498 1 72 . GLU . 34498 1 73 . PHE . 34498 1 74 . SER . 34498 1 75 . VAL . 34498 1 76 . VAL . 34498 1 77 . THR . 34498 1 78 . ASN . 34498 1 79 . GLN . 34498 1 80 . ARG . 34498 1 81 . ASN . 34498 1 82 . GLY . 34498 1 83 . LYS . 34498 1 84 . SER . 34498 1 85 . SER . 34498 1 86 . ALA . 34498 1 87 . CYS . 34498 1 88 . ASN . 34498 1 89 . VAL . 34498 1 90 . LEU . 34498 1 91 . LYS . 34498 1 92 . ILE . 34498 1 93 . ASN . 34498 1 94 . ASP . 34498 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34498 1 . ALA 2 2 34498 1 . LYS 3 3 34498 1 . GLY 4 4 34498 1 . ASP 5 5 34498 1 . LEU 6 6 34498 1 . VAL 7 7 34498 1 . SER 8 8 34498 1 . PHE 9 9 34498 1 . ARG 10 10 34498 1 . ILE 11 11 34498 1 . ASP 12 12 34498 1 . GLU 13 13 34498 1 . SER 14 14 34498 1 . GLY 15 15 34498 1 . ARG 16 16 34498 1 . ALA 17 17 34498 1 . ALA 18 18 34498 1 . CYS 19 19 34498 1 . VAL 20 20 34498 1 . ASN 21 21 34498 1 . ALA 22 22 34498 1 . VAL 23 23 34498 1 . ARG 24 24 34498 1 . GLN 25 25 34498 1 . LYS 26 26 34498 1 . LYS 27 27 34498 1 . ARG 28 28 34498 1 . ALA 29 29 34498 1 . THR 30 30 34498 1 . VAL 31 31 34498 1 . ASP 32 32 34498 1 . SER 33 33 34498 1 . ILE 34 34 34498 1 . LYS 35 35 34498 1 . GLY 36 36 34498 1 . GLN 37 37 34498 1 . PHE 38 38 34498 1 . GLY 39 39 34498 1 . PHE 40 40 34498 1 . LEU 41 41 34498 1 . ASN 42 42 34498 1 . PHE 43 43 34498 1 . GLU 44 44 34498 1 . VAL 45 45 34498 1 . GLU 46 46 34498 1 . ASP 47 47 34498 1 . GLY 48 48 34498 1 . LYS 49 49 34498 1 . LYS 50 50 34498 1 . LEU 51 51 34498 1 . PHE 52 52 34498 1 . PHE 53 53 34498 1 . HIS 54 54 34498 1 . MET 55 55 34498 1 . SER 56 56 34498 1 . GLU 57 57 34498 1 . VAL 58 58 34498 1 . GLN 59 59 34498 1 . GLY 60 60 34498 1 . ASN 61 61 34498 1 . THR 62 62 34498 1 . VAL 63 63 34498 1 . ALA 64 64 34498 1 . LEU 65 65 34498 1 . HIS 66 66 34498 1 . PRO 67 67 34498 1 . GLY 68 68 34498 1 . ASP 69 69 34498 1 . THR 70 70 34498 1 . VAL 71 71 34498 1 . GLU 72 72 34498 1 . PHE 73 73 34498 1 . SER 74 74 34498 1 . VAL 75 75 34498 1 . VAL 76 76 34498 1 . THR 77 77 34498 1 . ASN 78 78 34498 1 . GLN 79 79 34498 1 . ARG 80 80 34498 1 . ASN 81 81 34498 1 . GLY 82 82 34498 1 . LYS 83 83 34498 1 . SER 84 84 34498 1 . SER 85 85 34498 1 . ALA 86 86 34498 1 . CYS 87 87 34498 1 . ASN 88 88 34498 1 . VAL 89 89 34498 1 . LEU 90 90 34498 1 . LYS 91 91 34498 1 . ILE 92 92 34498 1 . ASN 93 93 34498 1 . ASP 94 94 34498 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 34498 _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_1 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'Unr, BcDNA:LD13080, CR32028, Dmel\CG7015, dUNR, MRE30, UNR, unr, CG7015, Dmel_CG7015' . 34498 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 34498 _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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34498 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.24 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DTT, 95% H2O/5% D2O' _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 protein '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.24 . . mM . . . . 34498 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34498 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34498 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34498 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34498 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.24 mM [U-99% 13C; U-99% 15N] protein, 50 mM sodium phosphate, 50 mM sodium chloride, 1 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 protein '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.24 . . mM . . . . 34498 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34498 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34498 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34498 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34498 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 34498 1 pH 6.8 . pH 34498 1 pressure 1 . atm 34498 1 temperature 298 . K 34498 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34498 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34498 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34498 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34498 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34498 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34498 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34498 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34498 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34498 3 . 'peak picking' 34498 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34498 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34498 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34498 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34498 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34498 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34498 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34498 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34498 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 34498 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34498 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34498 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34498 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34498 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34498 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34498 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34498 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.744 internal indirect 0.251449530 . . . . . 34498 1 H 2 water protons . . . . ppm 4.744 internal direct 1 . . . . . 34498 1 N 15 water protons . . . . ppm 4.744 internal indirect 0.101329118 . . . . . 34498 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34498 1 2 '3D HNCA' . . . 34498 1 3 '3D HNCACB' . . . 34498 1 4 '3D CBCA(CO)NH' . . . 34498 1 5 '3D HNCO' . . . 34498 1 6 '3D HCCH-TOCSY' . . . 34498 1 7 '3D HBHA(CO)NH' . . . 34498 1 8 '2D 1H-13C HSQC aliphatic' . . . 34498 1 9 '2D 1H-1H NOESY' . . . 34498 1 10 '3D 1H-15N NOESY' . . . 34498 1 11 '3D 1H-13C NOESY' . . . 34498 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LYS H H 1 8.478 0.020 . 1 . . . . A 3 LYS H . 34498 1 2 . 1 . 1 3 3 LYS HA H 1 4.218 0.020 . 1 . . . . A 3 LYS HA . 34498 1 3 . 1 . 1 3 3 LYS HB2 H 1 2.065 0.020 . 1 . . . . A 3 LYS HB2 . 34498 1 4 . 1 . 1 3 3 LYS HB3 H 1 2.065 0.020 . 1 . . . . A 3 LYS HB3 . 34498 1 5 . 1 . 1 3 3 LYS HG2 H 1 1.403 0.020 . 1 . . . . A 3 LYS HG2 . 34498 1 6 . 1 . 1 3 3 LYS HG3 H 1 1.403 0.020 . 1 . . . . A 3 LYS HG3 . 34498 1 7 . 1 . 1 3 3 LYS C C 13 175.757 0.3 . 1 . . . . A 3 LYS C . 34498 1 8 . 1 . 1 3 3 LYS CA C 13 56.616 0.3 . 1 . . . . A 3 LYS CA . 34498 1 9 . 1 . 1 3 3 LYS CB C 13 32.516 0.3 . 1 . . . . A 3 LYS CB . 34498 1 10 . 1 . 1 3 3 LYS CG C 13 24.502 0.3 . 1 . . . . A 3 LYS CG . 34498 1 11 . 1 . 1 3 3 LYS CD C 13 28.787 0.3 . 1 . . . . A 3 LYS CD . 34498 1 12 . 1 . 1 3 3 LYS CE C 13 41.842 0.3 . 1 . . . . A 3 LYS CE . 34498 1 13 . 1 . 1 3 3 LYS N N 15 120.928 0.3 . 1 . . . . A 3 LYS N . 34498 1 14 . 1 . 1 4 4 GLY H H 1 8.361 0.020 . 1 . . . . A 4 GLY H . 34498 1 15 . 1 . 1 4 4 GLY HA2 H 1 3.867 0.020 . 2 . . . . A 4 GLY HA2 . 34498 1 16 . 1 . 1 4 4 GLY HA3 H 1 3.865 0.020 . 2 . . . . A 4 GLY HA3 . 34498 1 17 . 1 . 1 4 4 GLY C C 13 173.753 0.3 . 1 . . . . A 4 GLY C . 34498 1 18 . 1 . 1 4 4 GLY CA C 13 45.145 0.3 . 1 . . . . A 4 GLY CA . 34498 1 19 . 1 . 1 4 4 GLY N N 15 109.803 0.3 . 1 . . . . A 4 GLY N . 34498 1 20 . 1 . 1 5 5 ASP H H 1 8.129 0.020 . 1 . . . . A 5 ASP H . 34498 1 21 . 1 . 1 5 5 ASP HA H 1 4.510 0.020 . 1 . . . . A 5 ASP HA . 34498 1 22 . 1 . 1 5 5 ASP HB2 H 1 2.575 0.020 . 1 . . . . A 5 ASP HB2 . 34498 1 23 . 1 . 1 5 5 ASP HB3 H 1 2.575 0.020 . 1 . . . . A 5 ASP HB3 . 34498 1 24 . 1 . 1 5 5 ASP C C 13 176.172 0.3 . 1 . . . . A 5 ASP C . 34498 1 25 . 1 . 1 5 5 ASP CA C 13 54.232 0.3 . 1 . . . . A 5 ASP CA . 34498 1 26 . 1 . 1 5 5 ASP CB C 13 40.862 0.3 . 1 . . . . A 5 ASP CB . 34498 1 27 . 1 . 1 5 5 ASP N N 15 120.306 0.3 . 1 . . . . A 5 ASP N . 34498 1 28 . 1 . 1 6 6 LEU H H 1 8.138 0.020 . 1 . . . . A 6 LEU H . 34498 1 29 . 1 . 1 6 6 LEU HA H 1 4.215 0.020 . 1 . . . . A 6 LEU HA . 34498 1 30 . 1 . 1 6 6 LEU HB2 H 1 1.538 0.020 . 2 . . . . A 6 LEU HB2 . 34498 1 31 . 1 . 1 6 6 LEU HB3 H 1 1.459 0.020 . 2 . . . . A 6 LEU HB3 . 34498 1 32 . 1 . 1 6 6 LEU HG H 1 1.538 0.020 . 1 . . . . A 6 LEU HG . 34498 1 33 . 1 . 1 6 6 LEU HD11 H 1 0.795 0.020 . 1 . . . . A 6 LEU HD11 . 34498 1 34 . 1 . 1 6 6 LEU HD12 H 1 0.795 0.020 . 1 . . . . A 6 LEU HD12 . 34498 1 35 . 1 . 1 6 6 LEU HD13 H 1 0.795 0.020 . 1 . . . . A 6 LEU HD13 . 34498 1 36 . 1 . 1 6 6 LEU HD21 H 1 0.725 0.020 . 1 . . . . A 6 LEU HD21 . 34498 1 37 . 1 . 1 6 6 LEU HD22 H 1 0.725 0.020 . 1 . . . . A 6 LEU HD22 . 34498 1 38 . 1 . 1 6 6 LEU HD23 H 1 0.725 0.020 . 1 . . . . A 6 LEU HD23 . 34498 1 39 . 1 . 1 6 6 LEU C C 13 177.370 0.3 . 1 . . . . A 6 LEU C . 34498 1 40 . 1 . 1 6 6 LEU CA C 13 55.310 0.3 . 1 . . . . A 6 LEU CA . 34498 1 41 . 1 . 1 6 6 LEU CB C 13 42.036 0.3 . 1 . . . . A 6 LEU CB . 34498 1 42 . 1 . 1 6 6 LEU CG C 13 26.801 0.3 . 1 . . . . A 6 LEU CG . 34498 1 43 . 1 . 1 6 6 LEU CD1 C 13 24.748 0.3 . 1 . . . . A 6 LEU CD1 . 34498 1 44 . 1 . 1 6 6 LEU CD2 C 13 23.354 0.3 . 1 . . . . A 6 LEU CD2 . 34498 1 45 . 1 . 1 6 6 LEU N N 15 121.978 0.3 . 1 . . . . A 6 LEU N . 34498 1 46 . 1 . 1 7 7 VAL H H 1 7.970 0.020 . 1 . . . . A 7 VAL H . 34498 1 47 . 1 . 1 7 7 VAL HA H 1 3.971 0.020 . 1 . . . . A 7 VAL HA . 34498 1 48 . 1 . 1 7 7 VAL HB H 1 1.963 0.020 . 1 . . . . A 7 VAL HB . 34498 1 49 . 1 . 1 7 7 VAL HG11 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG11 . 34498 1 50 . 1 . 1 7 7 VAL HG12 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG12 . 34498 1 51 . 1 . 1 7 7 VAL HG13 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG13 . 34498 1 52 . 1 . 1 7 7 VAL HG21 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG21 . 34498 1 53 . 1 . 1 7 7 VAL HG22 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG22 . 34498 1 54 . 1 . 1 7 7 VAL HG23 H 1 0.816 0.020 . 1 . . . . A 7 VAL HG23 . 34498 1 55 . 1 . 1 7 7 VAL C C 13 176.011 0.3 . 1 . . . . A 7 VAL C . 34498 1 56 . 1 . 1 7 7 VAL CA C 13 62.491 0.3 . 1 . . . . A 7 VAL CA . 34498 1 57 . 1 . 1 7 7 VAL CB C 13 32.390 0.3 . 1 . . . . A 7 VAL CB . 34498 1 58 . 1 . 1 7 7 VAL CG1 C 13 21.022 0.3 . 1 . . . . A 7 VAL CG1 . 34498 1 59 . 1 . 1 7 7 VAL CG2 C 13 20.890 0.3 . 1 . . . . A 7 VAL CG2 . 34498 1 60 . 1 . 1 7 7 VAL N N 15 120.206 0.3 . 1 . . . . A 7 VAL N . 34498 1 61 . 1 . 1 8 8 SER H H 1 8.141 0.020 . 1 . . . . A 8 SER H . 34498 1 62 . 1 . 1 8 8 SER HA H 1 4.285 0.020 . 1 . . . . A 8 SER HA . 34498 1 63 . 1 . 1 8 8 SER HB2 H 1 3.640 0.020 . 1 . . . . A 8 SER HB2 . 34498 1 64 . 1 . 1 8 8 SER HB3 H 1 3.640 0.020 . 1 . . . . A 8 SER HB3 . 34498 1 65 . 1 . 1 8 8 SER C C 13 174.341 0.3 . 1 . . . . A 8 SER C . 34498 1 66 . 1 . 1 8 8 SER CA C 13 58.218 0.3 . 1 . . . . A 8 SER CA . 34498 1 67 . 1 . 1 8 8 SER CB C 13 63.454 0.3 . 1 . . . . A 8 SER CB . 34498 1 68 . 1 . 1 8 8 SER N N 15 118.356 0.3 . 1 . . . . A 8 SER N . 34498 1 69 . 1 . 1 9 9 PHE H H 1 7.972 0.020 . 1 . . . . A 9 PHE H . 34498 1 70 . 1 . 1 9 9 PHE HA H 1 4.522 0.020 . 1 . . . . A 9 PHE HA . 34498 1 71 . 1 . 1 9 9 PHE HB2 H 1 2.981 0.020 . 1 . . . . A 9 PHE HB2 . 34498 1 72 . 1 . 1 9 9 PHE HB3 H 1 2.981 0.020 . 1 . . . . A 9 PHE HB3 . 34498 1 73 . 1 . 1 9 9 PHE C C 13 174.951 0.3 . 1 . . . . A 9 PHE C . 34498 1 74 . 1 . 1 9 9 PHE CA C 13 57.500 0.3 . 1 . . . . A 9 PHE CA . 34498 1 75 . 1 . 1 9 9 PHE CB C 13 39.621 0.3 . 1 . . . . A 9 PHE CB . 34498 1 76 . 1 . 1 9 9 PHE N N 15 121.749 0.3 . 1 . . . . A 9 PHE N . 34498 1 77 . 1 . 1 10 10 ARG H H 1 8.037 0.020 . 1 . . . . A 10 ARG H . 34498 1 78 . 1 . 1 10 10 ARG HA H 1 4.241 0.020 . 1 . . . . A 10 ARG HA . 34498 1 79 . 1 . 1 10 10 ARG HB2 H 1 1.684 0.020 . 2 . . . . A 10 ARG HB2 . 34498 1 80 . 1 . 1 10 10 ARG HB3 H 1 1.625 0.020 . 2 . . . . A 10 ARG HB3 . 34498 1 81 . 1 . 1 10 10 ARG HG2 H 1 1.467 0.020 . 1 . . . . A 10 ARG HG2 . 34498 1 82 . 1 . 1 10 10 ARG HG3 H 1 1.467 0.020 . 1 . . . . A 10 ARG HG3 . 34498 1 83 . 1 . 1 10 10 ARG HD2 H 1 3.079 0.020 . 1 . . . . A 10 ARG HD2 . 34498 1 84 . 1 . 1 10 10 ARG HD3 H 1 3.079 0.020 . 1 . . . . A 10 ARG HD3 . 34498 1 85 . 1 . 1 10 10 ARG C C 13 175.757 0.3 . 1 . . . . A 10 ARG C . 34498 1 86 . 1 . 1 10 10 ARG CA C 13 55.600 0.3 . 1 . . . . A 10 ARG CA . 34498 1 87 . 1 . 1 10 10 ARG CB C 13 30.884 0.3 . 1 . . . . A 10 ARG CB . 34498 1 88 . 1 . 1 10 10 ARG CG C 13 26.801 0.3 . 1 . . . . A 10 ARG CG . 34498 1 89 . 1 . 1 10 10 ARG CD C 13 43.157 0.3 . 1 . . . . A 10 ARG CD . 34498 1 90 . 1 . 1 10 10 ARG N N 15 122.759 0.3 . 1 . . . . A 10 ARG N . 34498 1 91 . 1 . 1 11 11 ILE H H 1 8.202 0.020 . 1 . . . . A 11 ILE H . 34498 1 92 . 1 . 1 11 11 ILE HA H 1 4.006 0.020 . 1 . . . . A 11 ILE HA . 34498 1 93 . 1 . 1 11 11 ILE HB H 1 1.701 0.020 . 1 . . . . A 11 ILE HB . 34498 1 94 . 1 . 1 11 11 ILE HG12 H 1 1.417 0.020 . 1 . . . . A 11 ILE HG12 . 34498 1 95 . 1 . 1 11 11 ILE HG13 H 1 1.417 0.020 . 1 . . . . A 11 ILE HG13 . 34498 1 96 . 1 . 1 11 11 ILE HG21 H 1 0.779 0.020 . 1 . . . . A 11 ILE HG21 . 34498 1 97 . 1 . 1 11 11 ILE HG22 H 1 0.779 0.020 . 1 . . . . A 11 ILE HG22 . 34498 1 98 . 1 . 1 11 11 ILE HG23 H 1 0.779 0.020 . 1 . . . . A 11 ILE HG23 . 34498 1 99 . 1 . 1 11 11 ILE HD11 H 1 0.749 0.020 . 1 . . . . A 11 ILE HD11 . 34498 1 100 . 1 . 1 11 11 ILE HD12 H 1 0.749 0.020 . 1 . . . . A 11 ILE HD12 . 34498 1 101 . 1 . 1 11 11 ILE HD13 H 1 0.749 0.020 . 1 . . . . A 11 ILE HD13 . 34498 1 102 . 1 . 1 11 11 ILE C C 13 175.550 0.3 . 1 . . . . A 11 ILE C . 34498 1 103 . 1 . 1 11 11 ILE CA C 13 61.103 0.3 . 1 . . . . A 11 ILE CA . 34498 1 104 . 1 . 1 11 11 ILE CB C 13 38.668 0.3 . 1 . . . . A 11 ILE CB . 34498 1 105 . 1 . 1 11 11 ILE CG1 C 13 27.483 0.3 . 1 . . . . A 11 ILE CG1 . 34498 1 106 . 1 . 1 11 11 ILE CG2 C 13 17.349 0.3 . 1 . . . . A 11 ILE CG2 . 34498 1 107 . 1 . 1 11 11 ILE CD1 C 13 13.049 0.3 . 1 . . . . A 11 ILE CD1 . 34498 1 108 . 1 . 1 11 11 ILE N N 15 122.646 0.3 . 1 . . . . A 11 ILE N . 34498 1 109 . 1 . 1 12 12 ASP H H 1 8.305 0.020 . 1 . . . . A 12 ASP H . 34498 1 110 . 1 . 1 12 12 ASP HA H 1 4.551 0.020 . 1 . . . . A 12 ASP HA . 34498 1 111 . 1 . 1 12 12 ASP HB2 H 1 2.633 0.020 . 1 . . . . A 12 ASP HB2 . 34498 1 112 . 1 . 1 12 12 ASP HB3 H 1 2.633 0.020 . 1 . . . . A 12 ASP HB3 . 34498 1 113 . 1 . 1 12 12 ASP C C 13 176.264 0.3 . 1 . . . . A 12 ASP C . 34498 1 114 . 1 . 1 12 12 ASP CA C 13 53.997 0.3 . 1 . . . . A 12 ASP CA . 34498 1 115 . 1 . 1 12 12 ASP CB C 13 41.259 0.3 . 1 . . . . A 12 ASP CB . 34498 1 116 . 1 . 1 12 12 ASP N N 15 124.205 0.3 . 1 . . . . A 12 ASP N . 34498 1 117 . 1 . 1 13 13 GLU H H 1 8.525 0.020 . 1 . . . . A 13 GLU H . 34498 1 118 . 1 . 1 13 13 GLU HA H 1 4.090 0.020 . 1 . . . . A 13 GLU HA . 34498 1 119 . 1 . 1 13 13 GLU HB2 H 1 1.933 0.020 . 1 . . . . A 13 GLU HB2 . 34498 1 120 . 1 . 1 13 13 GLU HB3 H 1 1.933 0.020 . 1 . . . . A 13 GLU HB3 . 34498 1 121 . 1 . 1 13 13 GLU HG2 H 1 2.202 0.020 . 1 . . . . A 13 GLU HG2 . 34498 1 122 . 1 . 1 13 13 GLU HG3 H 1 2.202 0.020 . 1 . . . . A 13 GLU HG3 . 34498 1 123 . 1 . 1 13 13 GLU C C 13 177.370 0.3 . 1 . . . . A 13 GLU C . 34498 1 124 . 1 . 1 13 13 GLU CA C 13 57.516 0.3 . 1 . . . . A 13 GLU CA . 34498 1 125 . 1 . 1 13 13 GLU CB C 13 29.692 0.3 . 1 . . . . A 13 GLU CB . 34498 1 126 . 1 . 1 13 13 GLU CG C 13 36.321 0.3 . 1 . . . . A 13 GLU CG . 34498 1 127 . 1 . 1 13 13 GLU N N 15 121.972 0.3 . 1 . . . . A 13 GLU N . 34498 1 128 . 1 . 1 14 14 SER H H 1 8.359 0.020 . 1 . . . . A 14 SER H . 34498 1 129 . 1 . 1 14 14 SER HA H 1 4.254 0.020 . 1 . . . . A 14 SER HA . 34498 1 130 . 1 . 1 14 14 SER HB2 H 1 3.843 0.020 . 1 . . . . A 14 SER HB2 . 34498 1 131 . 1 . 1 14 14 SER HB3 H 1 3.843 0.020 . 1 . . . . A 14 SER HB3 . 34498 1 132 . 1 . 1 14 14 SER C C 13 175.734 0.3 . 1 . . . . A 14 SER C . 34498 1 133 . 1 . 1 14 14 SER CA C 13 59.734 0.3 . 1 . . . . A 14 SER CA . 34498 1 134 . 1 . 1 14 14 SER CB C 13 63.291 0.3 . 1 . . . . A 14 SER CB . 34498 1 135 . 1 . 1 14 14 SER N N 15 116.143 0.3 . 1 . . . . A 14 SER N . 34498 1 136 . 1 . 1 15 15 GLY H H 1 8.322 0.020 . 1 . . . . A 15 GLY H . 34498 1 137 . 1 . 1 15 15 GLY HA2 H 1 3.855 0.020 . 2 . . . . A 15 GLY HA2 . 34498 1 138 . 1 . 1 15 15 GLY HA3 H 1 3.833 0.020 . 2 . . . . A 15 GLY HA3 . 34498 1 139 . 1 . 1 15 15 GLY C C 13 174.605 0.3 . 1 . . . . A 15 GLY C . 34498 1 140 . 1 . 1 15 15 GLY CA C 13 45.719 0.3 . 1 . . . . A 15 GLY CA . 34498 1 141 . 1 . 1 15 15 GLY N N 15 110.975 0.3 . 1 . . . . A 15 GLY N . 34498 1 142 . 1 . 1 16 16 ARG H H 1 8.030 0.020 . 1 . . . . A 16 ARG H . 34498 1 143 . 1 . 1 16 16 ARG HA H 1 4.111 0.020 . 1 . . . . A 16 ARG HA . 34498 1 144 . 1 . 1 16 16 ARG HB2 H 1 1.775 0.020 . 1 . . . . A 16 ARG HB2 . 34498 1 145 . 1 . 1 16 16 ARG HB3 H 1 1.775 0.020 . 1 . . . . A 16 ARG HB3 . 34498 1 146 . 1 . 1 16 16 ARG HG2 H 1 1.546 0.020 . 1 . . . . A 16 ARG HG2 . 34498 1 147 . 1 . 1 16 16 ARG HG3 H 1 1.546 0.020 . 1 . . . . A 16 ARG HG3 . 34498 1 148 . 1 . 1 16 16 ARG HD2 H 1 3.029 0.020 . 1 . . . . A 16 ARG HD2 . 34498 1 149 . 1 . 1 16 16 ARG HD3 H 1 3.029 0.020 . 1 . . . . A 16 ARG HD3 . 34498 1 150 . 1 . 1 16 16 ARG C C 13 176.978 0.3 . 1 . . . . A 16 ARG C . 34498 1 151 . 1 . 1 16 16 ARG CA C 13 56.837 0.3 . 1 . . . . A 16 ARG CA . 34498 1 152 . 1 . 1 16 16 ARG CB C 13 30.257 0.3 . 1 . . . . A 16 ARG CB . 34498 1 153 . 1 . 1 16 16 ARG CG C 13 26.736 0.3 . 1 . . . . A 16 ARG CG . 34498 1 154 . 1 . 1 16 16 ARG CD C 13 42.960 0.3 . 1 . . . . A 16 ARG CD . 34498 1 155 . 1 . 1 16 16 ARG N N 15 120.699 0.3 . 1 . . . . A 16 ARG N . 34498 1 156 . 1 . 1 17 17 ALA H H 1 8.233 0.020 . 1 . . . . A 17 ALA H . 34498 1 157 . 1 . 1 17 17 ALA HA H 1 4.162 0.020 . 1 . . . . A 17 ALA HA . 34498 1 158 . 1 . 1 17 17 ALA HB1 H 1 1.319 0.020 . 1 . . . . A 17 ALA HB1 . 34498 1 159 . 1 . 1 17 17 ALA HB2 H 1 1.319 0.020 . 1 . . . . A 17 ALA HB2 . 34498 1 160 . 1 . 1 17 17 ALA HB3 H 1 1.319 0.020 . 1 . . . . A 17 ALA HB3 . 34498 1 161 . 1 . 1 17 17 ALA C C 13 178.199 0.3 . 1 . . . . A 17 ALA C . 34498 1 162 . 1 . 1 17 17 ALA CA C 13 53.247 0.3 . 1 . . . . A 17 ALA CA . 34498 1 163 . 1 . 1 17 17 ALA CB C 13 18.548 0.3 . 1 . . . . A 17 ALA CB . 34498 1 164 . 1 . 1 17 17 ALA N N 15 123.518 0.3 . 1 . . . . A 17 ALA N . 34498 1 165 . 1 . 1 18 18 ALA H H 1 8.037 0.020 . 1 . . . . A 18 ALA H . 34498 1 166 . 1 . 1 18 18 ALA HA H 1 4.162 0.020 . 1 . . . . A 18 ALA HA . 34498 1 167 . 1 . 1 18 18 ALA HB1 H 1 1.384 0.020 . 1 . . . . A 18 ALA HB1 . 34498 1 168 . 1 . 1 18 18 ALA HB2 H 1 1.384 0.020 . 1 . . . . A 18 ALA HB2 . 34498 1 169 . 1 . 1 18 18 ALA HB3 H 1 1.384 0.020 . 1 . . . . A 18 ALA HB3 . 34498 1 170 . 1 . 1 18 18 ALA C C 13 178.782 0.3 . 1 . . . . A 18 ALA C . 34498 1 171 . 1 . 1 18 18 ALA CA C 13 53.265 0.3 . 1 . . . . A 18 ALA CA . 34498 1 172 . 1 . 1 18 18 ALA CB C 13 18.687 0.3 . 1 . . . . A 18 ALA CB . 34498 1 173 . 1 . 1 18 18 ALA N N 15 121.338 0.3 . 1 . . . . A 18 ALA N . 34498 1 174 . 1 . 1 19 19 CYS H H 1 8.287 0.020 . 1 . . . . A 19 CYS H . 34498 1 175 . 1 . 1 19 19 CYS HA H 1 4.347 0.020 . 1 . . . . A 19 CYS HA . 34498 1 176 . 1 . 1 19 19 CYS HB2 H 1 3.027 0.020 . 1 . . . . A 19 CYS HB2 . 34498 1 177 . 1 . 1 19 19 CYS HB3 H 1 3.027 0.020 . 1 . . . . A 19 CYS HB3 . 34498 1 178 . 1 . 1 19 19 CYS C C 13 175.665 0.3 . 1 . . . . A 19 CYS C . 34498 1 179 . 1 . 1 19 19 CYS CA C 13 56.802 0.3 . 1 . . . . A 19 CYS CA . 34498 1 180 . 1 . 1 19 19 CYS CB C 13 40.569 0.3 . 1 . . . . A 19 CYS CB . 34498 1 181 . 1 . 1 19 19 CYS N N 15 116.943 0.3 . 1 . . . . A 19 CYS N . 34498 1 182 . 1 . 1 20 20 VAL H H 1 7.590 0.020 . 1 . . . . A 20 VAL H . 34498 1 183 . 1 . 1 20 20 VAL HA H 1 3.977 0.020 . 1 . . . . A 20 VAL HA . 34498 1 184 . 1 . 1 20 20 VAL HB H 1 2.074 0.020 . 1 . . . . A 20 VAL HB . 34498 1 185 . 1 . 1 20 20 VAL HG11 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG11 . 34498 1 186 . 1 . 1 20 20 VAL HG12 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG12 . 34498 1 187 . 1 . 1 20 20 VAL HG13 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG13 . 34498 1 188 . 1 . 1 20 20 VAL HG21 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG21 . 34498 1 189 . 1 . 1 20 20 VAL HG22 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG22 . 34498 1 190 . 1 . 1 20 20 VAL HG23 H 1 0.892 0.020 . 1 . . . . A 20 VAL HG23 . 34498 1 191 . 1 . 1 20 20 VAL C C 13 176.011 0.3 . 1 . . . . A 20 VAL C . 34498 1 192 . 1 . 1 20 20 VAL CA C 13 63.291 0.3 . 1 . . . . A 20 VAL CA . 34498 1 193 . 1 . 1 20 20 VAL CB C 13 31.951 0.3 . 1 . . . . A 20 VAL CB . 34498 1 194 . 1 . 1 20 20 VAL CG1 C 13 20.472 0.3 . 1 . . . . A 20 VAL CG1 . 34498 1 195 . 1 . 1 20 20 VAL CG2 C 13 20.627 0.3 . 1 . . . . A 20 VAL CG2 . 34498 1 196 . 1 . 1 20 20 VAL N N 15 118.569 0.3 . 1 . . . . A 20 VAL N . 34498 1 197 . 1 . 1 21 21 ASN H H 1 8.040 0.020 . 1 . . . . A 21 ASN H . 34498 1 198 . 1 . 1 21 21 ASN HA H 1 4.630 0.020 . 1 . . . . A 21 ASN HA . 34498 1 199 . 1 . 1 21 21 ASN HB2 H 1 2.885 0.020 . 2 . . . . A 21 ASN HB2 . 34498 1 200 . 1 . 1 21 21 ASN HB3 H 1 2.729 0.020 . 2 . . . . A 21 ASN HB3 . 34498 1 201 . 1 . 1 21 21 ASN C C 13 174.721 0.3 . 1 . . . . A 21 ASN C . 34498 1 202 . 1 . 1 21 21 ASN CA C 13 53.292 0.3 . 1 . . . . A 21 ASN CA . 34498 1 203 . 1 . 1 21 21 ASN CB C 13 38.374 0.3 . 1 . . . . A 21 ASN CB . 34498 1 204 . 1 . 1 21 21 ASN N N 15 119.250 0.3 . 1 . . . . A 21 ASN N . 34498 1 205 . 1 . 1 22 22 ALA H H 1 7.777 0.020 . 1 . . . . A 22 ALA H . 34498 1 206 . 1 . 1 22 22 ALA HA H 1 4.225 0.020 . 1 . . . . A 22 ALA HA . 34498 1 207 . 1 . 1 22 22 ALA HB1 H 1 1.296 0.020 . 1 . . . . A 22 ALA HB1 . 34498 1 208 . 1 . 1 22 22 ALA HB2 H 1 1.296 0.020 . 1 . . . . A 22 ALA HB2 . 34498 1 209 . 1 . 1 22 22 ALA HB3 H 1 1.296 0.020 . 1 . . . . A 22 ALA HB3 . 34498 1 210 . 1 . 1 22 22 ALA C C 13 177.554 0.3 . 1 . . . . A 22 ALA C . 34498 1 211 . 1 . 1 22 22 ALA CA C 13 52.737 0.3 . 1 . . . . A 22 ALA CA . 34498 1 212 . 1 . 1 22 22 ALA CB C 13 19.379 0.3 . 1 . . . . A 22 ALA CB . 34498 1 213 . 1 . 1 22 22 ALA N N 15 123.892 0.3 . 1 . . . . A 22 ALA N . 34498 1 214 . 1 . 1 23 23 VAL H H 1 8.087 0.020 . 1 . . . . A 23 VAL H . 34498 1 215 . 1 . 1 23 23 VAL HA H 1 4.037 0.020 . 1 . . . . A 23 VAL HA . 34498 1 216 . 1 . 1 23 23 VAL HB H 1 2.094 0.020 . 1 . . . . A 23 VAL HB . 34498 1 217 . 1 . 1 23 23 VAL HG11 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG11 . 34498 1 218 . 1 . 1 23 23 VAL HG12 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG12 . 34498 1 219 . 1 . 1 23 23 VAL HG13 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG13 . 34498 1 220 . 1 . 1 23 23 VAL HG21 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG21 . 34498 1 221 . 1 . 1 23 23 VAL HG22 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG22 . 34498 1 222 . 1 . 1 23 23 VAL HG23 H 1 0.923 0.020 . 1 . . . . A 23 VAL HG23 . 34498 1 223 . 1 . 1 23 23 VAL C C 13 176.287 0.3 . 1 . . . . A 23 VAL C . 34498 1 224 . 1 . 1 23 23 VAL CA C 13 62.510 0.3 . 1 . . . . A 23 VAL CA . 34498 1 225 . 1 . 1 23 23 VAL CB C 13 32.078 0.3 . 1 . . . . A 23 VAL CB . 34498 1 226 . 1 . 1 23 23 VAL CG1 C 13 20.824 0.3 . 1 . . . . A 23 VAL CG1 . 34498 1 227 . 1 . 1 23 23 VAL CG2 C 13 20.824 0.3 . 1 . . . . A 23 VAL CG2 . 34498 1 228 . 1 . 1 23 23 VAL N N 15 118.713 0.3 . 1 . . . . A 23 VAL N . 34498 1 229 . 1 . 1 24 24 ARG H H 1 8.204 0.020 . 1 . . . . A 24 ARG H . 34498 1 230 . 1 . 1 24 24 ARG HA H 1 4.258 0.020 . 1 . . . . A 24 ARG HA . 34498 1 231 . 1 . 1 24 24 ARG HB2 H 1 1.788 0.020 . 2 . . . . A 24 ARG HB2 . 34498 1 232 . 1 . 1 24 24 ARG HB3 H 1 1.599 0.020 . 2 . . . . A 24 ARG HB3 . 34498 1 233 . 1 . 1 24 24 ARG HG2 H 1 1.523 0.020 . 1 . . . . A 24 ARG HG2 . 34498 1 234 . 1 . 1 24 24 ARG HG3 H 1 1.523 0.020 . 1 . . . . A 24 ARG HG3 . 34498 1 235 . 1 . 1 24 24 ARG HD2 H 1 3.118 0.020 . 1 . . . . A 24 ARG HD2 . 34498 1 236 . 1 . 1 24 24 ARG HD3 H 1 3.118 0.020 . 1 . . . . A 24 ARG HD3 . 34498 1 237 . 1 . 1 24 24 ARG C C 13 175.780 0.3 . 1 . . . . A 24 ARG C . 34498 1 238 . 1 . 1 24 24 ARG CA C 13 56.108 0.3 . 1 . . . . A 24 ARG CA . 34498 1 239 . 1 . 1 24 24 ARG CB C 13 30.884 0.3 . 1 . . . . A 24 ARG CB . 34498 1 240 . 1 . 1 24 24 ARG CG C 13 27.064 0.3 . 1 . . . . A 24 ARG CG . 34498 1 241 . 1 . 1 24 24 ARG CD C 13 43.223 0.3 . 1 . . . . A 24 ARG CD . 34498 1 242 . 1 . 1 24 24 ARG N N 15 123.583 0.3 . 1 . . . . A 24 ARG N . 34498 1 243 . 1 . 1 25 25 GLN H H 1 8.076 0.020 . 1 . . . . A 25 GLN H . 34498 1 244 . 1 . 1 25 25 GLN HA H 1 4.223 0.020 . 1 . . . . A 25 GLN HA . 34498 1 245 . 1 . 1 25 25 GLN HB2 H 1 1.854 0.020 . 1 . . . . A 25 GLN HB2 . 34498 1 246 . 1 . 1 25 25 GLN HB3 H 1 1.854 0.020 . 1 . . . . A 25 GLN HB3 . 34498 1 247 . 1 . 1 25 25 GLN HG2 H 1 2.238 0.020 . 1 . . . . A 25 GLN HG2 . 34498 1 248 . 1 . 1 25 25 GLN HG3 H 1 2.238 0.020 . 1 . . . . A 25 GLN HG3 . 34498 1 249 . 1 . 1 25 25 GLN C C 13 175.481 0.3 . 1 . . . . A 25 GLN C . 34498 1 250 . 1 . 1 25 25 GLN CA C 13 55.454 0.3 . 1 . . . . A 25 GLN CA . 34498 1 251 . 1 . 1 25 25 GLN CB C 13 29.509 0.3 . 1 . . . . A 25 GLN CB . 34498 1 252 . 1 . 1 25 25 GLN CG C 13 33.764 0.3 . 1 . . . . A 25 GLN CG . 34498 1 253 . 1 . 1 25 25 GLN N N 15 120.523 0.3 . 1 . . . . A 25 GLN N . 34498 1 254 . 1 . 1 26 26 LYS H H 1 8.449 0.020 . 1 . . . . A 26 LYS H . 34498 1 255 . 1 . 1 26 26 LYS HA H 1 4.264 0.020 . 1 . . . . A 26 LYS HA . 34498 1 256 . 1 . 1 26 26 LYS HB2 H 1 1.499 0.020 . 1 . . . . A 26 LYS HB2 . 34498 1 257 . 1 . 1 26 26 LYS HB3 H 1 1.499 0.020 . 1 . . . . A 26 LYS HB3 . 34498 1 258 . 1 . 1 26 26 LYS HG2 H 1 1.160 0.020 . 1 . . . . A 26 LYS HG2 . 34498 1 259 . 1 . 1 26 26 LYS HG3 H 1 1.160 0.020 . 1 . . . . A 26 LYS HG3 . 34498 1 260 . 1 . 1 26 26 LYS HD2 H 1 1.314 0.020 . 1 . . . . A 26 LYS HD2 . 34498 1 261 . 1 . 1 26 26 LYS HD3 H 1 1.314 0.020 . 1 . . . . A 26 LYS HD3 . 34498 1 262 . 1 . 1 26 26 LYS HE2 H 1 2.861 0.020 . 1 . . . . A 26 LYS HE2 . 34498 1 263 . 1 . 1 26 26 LYS HE3 H 1 2.861 0.020 . 1 . . . . A 26 LYS HE3 . 34498 1 264 . 1 . 1 26 26 LYS C C 13 175.942 0.3 . 1 . . . . A 26 LYS C . 34498 1 265 . 1 . 1 26 26 LYS CA C 13 55.868 0.3 . 1 . . . . A 26 LYS CA . 34498 1 266 . 1 . 1 26 26 LYS CB C 13 33.355 0.3 . 1 . . . . A 26 LYS CB . 34498 1 267 . 1 . 1 26 26 LYS CG C 13 24.699 0.3 . 1 . . . . A 26 LYS CG . 34498 1 268 . 1 . 1 26 26 LYS CD C 13 28.903 0.3 . 1 . . . . A 26 LYS CD . 34498 1 269 . 1 . 1 26 26 LYS CE C 13 41.844 0.3 . 1 . . . . A 26 LYS CE . 34498 1 270 . 1 . 1 26 26 LYS N N 15 123.587 0.3 . 1 . . . . A 26 LYS N . 34498 1 271 . 1 . 1 27 27 LYS H H 1 8.218 0.020 . 1 . . . . A 27 LYS H . 34498 1 272 . 1 . 1 27 27 LYS HA H 1 4.248 0.020 . 1 . . . . A 27 LYS HA . 34498 1 273 . 1 . 1 27 27 LYS HB2 H 1 1.026 0.020 . 2 . . . . A 27 LYS HB2 . 34498 1 274 . 1 . 1 27 27 LYS HB3 H 1 0.174 0.020 . 2 . . . . A 27 LYS HB3 . 34498 1 275 . 1 . 1 27 27 LYS HG2 H 1 1.026 0.020 . 1 . . . . A 27 LYS HG2 . 34498 1 276 . 1 . 1 27 27 LYS HG3 H 1 1.026 0.020 . 1 . . . . A 27 LYS HG3 . 34498 1 277 . 1 . 1 27 27 LYS HD2 H 1 1.477 0.020 . 1 . . . . A 27 LYS HD2 . 34498 1 278 . 1 . 1 27 27 LYS HD3 H 1 1.477 0.020 . 1 . . . . A 27 LYS HD3 . 34498 1 279 . 1 . 1 27 27 LYS HE2 H 1 2.960 0.020 . 2 . . . . A 27 LYS HE2 . 34498 1 280 . 1 . 1 27 27 LYS HE3 H 1 2.802 0.020 . 2 . . . . A 27 LYS HE3 . 34498 1 281 . 1 . 1 27 27 LYS C C 13 173.730 0.3 . 1 . . . . A 27 LYS C . 34498 1 282 . 1 . 1 27 27 LYS CA C 13 53.242 0.3 . 1 . . . . A 27 LYS CA . 34498 1 283 . 1 . 1 27 27 LYS CB C 13 34.920 0.3 . 1 . . . . A 27 LYS CB . 34498 1 284 . 1 . 1 27 27 LYS CG C 13 24.392 0.3 . 1 . . . . A 27 LYS CG . 34498 1 285 . 1 . 1 27 27 LYS CD C 13 28.461 0.3 . 1 . . . . A 27 LYS CD . 34498 1 286 . 1 . 1 27 27 LYS CE C 13 42.296 0.3 . 1 . . . . A 27 LYS CE . 34498 1 287 . 1 . 1 27 27 LYS N N 15 121.925 0.3 . 1 . . . . A 27 LYS N . 34498 1 288 . 1 . 1 28 28 ARG H H 1 7.751 0.020 . 1 . . . . A 28 ARG H . 34498 1 289 . 1 . 1 28 28 ARG HA H 1 5.494 0.020 . 1 . . . . A 28 ARG HA . 34498 1 290 . 1 . 1 28 28 ARG HB2 H 1 1.604 0.020 . 1 . . . . A 28 ARG HB2 . 34498 1 291 . 1 . 1 28 28 ARG HB3 H 1 1.604 0.020 . 1 . . . . A 28 ARG HB3 . 34498 1 292 . 1 . 1 28 28 ARG HG2 H 1 1.559 0.020 . 1 . . . . A 28 ARG HG2 . 34498 1 293 . 1 . 1 28 28 ARG HG3 H 1 1.559 0.020 . 1 . . . . A 28 ARG HG3 . 34498 1 294 . 1 . 1 28 28 ARG HD2 H 1 3.008 0.020 . 2 . . . . A 28 ARG HD2 . 34498 1 295 . 1 . 1 28 28 ARG HD3 H 1 2.916 0.020 . 2 . . . . A 28 ARG HD3 . 34498 1 296 . 1 . 1 28 28 ARG C C 13 175.757 0.3 . 1 . . . . A 28 ARG C . 34498 1 297 . 1 . 1 28 28 ARG CA C 13 54.483 0.3 . 1 . . . . A 28 ARG CA . 34498 1 298 . 1 . 1 28 28 ARG CB C 13 34.261 0.3 . 1 . . . . A 28 ARG CB . 34498 1 299 . 1 . 1 28 28 ARG CG C 13 27.685 0.3 . 1 . . . . A 28 ARG CG . 34498 1 300 . 1 . 1 28 28 ARG CD C 13 43.830 0.3 . 1 . . . . A 28 ARG CD . 34498 1 301 . 1 . 1 28 28 ARG N N 15 116.146 0.3 . 1 . . . . A 28 ARG N . 34498 1 302 . 1 . 1 29 29 ALA H H 1 8.955 0.020 . 1 . . . . A 29 ALA H . 34498 1 303 . 1 . 1 29 29 ALA HA H 1 4.885 0.020 . 1 . . . . A 29 ALA HA . 34498 1 304 . 1 . 1 29 29 ALA HB1 H 1 1.562 0.020 . 1 . . . . A 29 ALA HB1 . 34498 1 305 . 1 . 1 29 29 ALA HB2 H 1 1.562 0.020 . 1 . . . . A 29 ALA HB2 . 34498 1 306 . 1 . 1 29 29 ALA HB3 H 1 1.562 0.020 . 1 . . . . A 29 ALA HB3 . 34498 1 307 . 1 . 1 29 29 ALA C C 13 175.158 0.3 . 1 . . . . A 29 ALA C . 34498 1 308 . 1 . 1 29 29 ALA CA C 13 51.239 0.3 . 1 . . . . A 29 ALA CA . 34498 1 309 . 1 . 1 29 29 ALA CB C 13 23.569 0.3 . 1 . . . . A 29 ALA CB . 34498 1 310 . 1 . 1 29 29 ALA N N 15 121.210 0.3 . 1 . . . . A 29 ALA N . 34498 1 311 . 1 . 1 30 30 THR H H 1 8.318 0.020 . 1 . . . . A 30 THR H . 34498 1 312 . 1 . 1 30 30 THR HA H 1 5.494 0.020 . 1 . . . . A 30 THR HA . 34498 1 313 . 1 . 1 30 30 THR HB H 1 3.930 0.020 . 1 . . . . A 30 THR HB . 34498 1 314 . 1 . 1 30 30 THR HG21 H 1 1.187 0.020 . 1 . . . . A 30 THR HG21 . 34498 1 315 . 1 . 1 30 30 THR HG22 H 1 1.187 0.020 . 1 . . . . A 30 THR HG22 . 34498 1 316 . 1 . 1 30 30 THR HG23 H 1 1.187 0.020 . 1 . . . . A 30 THR HG23 . 34498 1 317 . 1 . 1 30 30 THR C C 13 175.320 0.3 . 1 . . . . A 30 THR C . 34498 1 318 . 1 . 1 30 30 THR CA C 13 59.314 0.3 . 1 . . . . A 30 THR CA . 34498 1 319 . 1 . 1 30 30 THR CB C 13 71.779 0.3 . 1 . . . . A 30 THR CB . 34498 1 320 . 1 . 1 30 30 THR CG2 C 13 22.335 0.3 . 1 . . . . A 30 THR CG2 . 34498 1 321 . 1 . 1 30 30 THR N N 15 107.963 0.3 . 1 . . . . A 30 THR N . 34498 1 322 . 1 . 1 31 31 VAL H H 1 8.781 0.020 . 1 . . . . A 31 VAL H . 34498 1 323 . 1 . 1 31 31 VAL HA H 1 3.901 0.020 . 1 . . . . A 31 VAL HA . 34498 1 324 . 1 . 1 31 31 VAL HB H 1 2.202 0.020 . 1 . . . . A 31 VAL HB . 34498 1 325 . 1 . 1 31 31 VAL HG11 H 1 0.845 0.020 . 1 . . . . A 31 VAL HG11 . 34498 1 326 . 1 . 1 31 31 VAL HG12 H 1 0.845 0.020 . 1 . . . . A 31 VAL HG12 . 34498 1 327 . 1 . 1 31 31 VAL HG13 H 1 0.845 0.020 . 1 . . . . A 31 VAL HG13 . 34498 1 328 . 1 . 1 31 31 VAL HG21 H 1 0.761 0.020 . 1 . . . . A 31 VAL HG21 . 34498 1 329 . 1 . 1 31 31 VAL HG22 H 1 0.761 0.020 . 1 . . . . A 31 VAL HG22 . 34498 1 330 . 1 . 1 31 31 VAL HG23 H 1 0.761 0.020 . 1 . . . . A 31 VAL HG23 . 34498 1 331 . 1 . 1 31 31 VAL C C 13 176.149 0.3 . 1 . . . . A 31 VAL C . 34498 1 332 . 1 . 1 31 31 VAL CA C 13 63.307 0.3 . 1 . . . . A 31 VAL CA . 34498 1 333 . 1 . 1 31 31 VAL CB C 13 32.607 0.3 . 1 . . . . A 31 VAL CB . 34498 1 334 . 1 . 1 31 31 VAL CG1 C 13 22.530 0.3 . 1 . . . . A 31 VAL CG1 . 34498 1 335 . 1 . 1 31 31 VAL CG2 C 13 21.162 0.3 . 1 . . . . A 31 VAL CG2 . 34498 1 336 . 1 . 1 31 31 VAL N N 15 121.125 0.3 . 1 . . . . A 31 VAL N . 34498 1 337 . 1 . 1 32 32 ASP H H 1 9.611 0.020 . 1 . . . . A 32 ASP H . 34498 1 338 . 1 . 1 32 32 ASP HA H 1 4.596 0.020 . 1 . . . . A 32 ASP HA . 34498 1 339 . 1 . 1 32 32 ASP HB2 H 1 2.485 0.020 . 2 . . . . A 32 ASP HB2 . 34498 1 340 . 1 . 1 32 32 ASP HB3 H 1 2.271 0.020 . 2 . . . . A 32 ASP HB3 . 34498 1 341 . 1 . 1 32 32 ASP C C 13 174.836 0.3 . 1 . . . . A 32 ASP C . 34498 1 342 . 1 . 1 32 32 ASP CA C 13 56.379 0.3 . 1 . . . . A 32 ASP CA . 34498 1 343 . 1 . 1 32 32 ASP CB C 13 43.896 0.3 . 1 . . . . A 32 ASP CB . 34498 1 344 . 1 . 1 32 32 ASP N N 15 131.388 0.3 . 1 . . . . A 32 ASP N . 34498 1 345 . 1 . 1 33 33 SER H H 1 7.641 0.020 . 1 . . . . A 33 SER H . 34498 1 346 . 1 . 1 33 33 SER HA H 1 4.432 0.020 . 1 . . . . A 33 SER HA . 34498 1 347 . 1 . 1 33 33 SER HB2 H 1 3.877 0.020 . 2 . . . . A 33 SER HB2 . 34498 1 348 . 1 . 1 33 33 SER HB3 H 1 3.550 0.020 . 2 . . . . A 33 SER HB3 . 34498 1 349 . 1 . 1 33 33 SER C C 13 171.495 0.3 . 1 . . . . A 33 SER C . 34498 1 350 . 1 . 1 33 33 SER CA C 13 56.958 0.3 . 1 . . . . A 33 SER CA . 34498 1 351 . 1 . 1 33 33 SER CB C 13 64.499 0.3 . 1 . . . . A 33 SER CB . 34498 1 352 . 1 . 1 33 33 SER N N 15 107.270 0.3 . 1 . . . . A 33 SER N . 34498 1 353 . 1 . 1 34 34 ILE H H 1 8.521 0.020 . 1 . . . . A 34 ILE H . 34498 1 354 . 1 . 1 34 34 ILE HA H 1 4.433 0.020 . 1 . . . . A 34 ILE HA . 34498 1 355 . 1 . 1 34 34 ILE HB H 1 1.661 0.020 . 1 . . . . A 34 ILE HB . 34498 1 356 . 1 . 1 34 34 ILE HG12 H 1 1.328 0.020 . 2 . . . . A 34 ILE HG12 . 34498 1 357 . 1 . 1 34 34 ILE HG13 H 1 1.279 0.020 . 2 . . . . A 34 ILE HG13 . 34498 1 358 . 1 . 1 34 34 ILE HG21 H 1 0.728 0.020 . 1 . . . . A 34 ILE HG21 . 34498 1 359 . 1 . 1 34 34 ILE HG22 H 1 0.728 0.020 . 1 . . . . A 34 ILE HG22 . 34498 1 360 . 1 . 1 34 34 ILE HG23 H 1 0.728 0.020 . 1 . . . . A 34 ILE HG23 . 34498 1 361 . 1 . 1 34 34 ILE HD11 H 1 0.667 0.020 . 1 . . . . A 34 ILE HD11 . 34498 1 362 . 1 . 1 34 34 ILE HD12 H 1 0.667 0.020 . 1 . . . . A 34 ILE HD12 . 34498 1 363 . 1 . 1 34 34 ILE HD13 H 1 0.667 0.020 . 1 . . . . A 34 ILE HD13 . 34498 1 364 . 1 . 1 34 34 ILE C C 13 175.020 0.3 . 1 . . . . A 34 ILE C . 34498 1 365 . 1 . 1 34 34 ILE CA C 13 60.567 0.3 . 1 . . . . A 34 ILE CA . 34498 1 366 . 1 . 1 34 34 ILE CB C 13 40.576 0.3 . 1 . . . . A 34 ILE CB . 34498 1 367 . 1 . 1 34 34 ILE CG1 C 13 27.327 0.3 . 1 . . . . A 34 ILE CG1 . 34498 1 368 . 1 . 1 34 34 ILE CG2 C 13 17.145 0.3 . 1 . . . . A 34 ILE CG2 . 34498 1 369 . 1 . 1 34 34 ILE CD1 C 13 13.331 0.3 . 1 . . . . A 34 ILE CD1 . 34498 1 370 . 1 . 1 34 34 ILE N N 15 120.212 0.3 . 1 . . . . A 34 ILE N . 34498 1 371 . 1 . 1 35 35 LYS H H 1 9.067 0.020 . 1 . . . . A 35 LYS H . 34498 1 372 . 1 . 1 35 35 LYS HA H 1 4.520 0.020 . 1 . . . . A 35 LYS HA . 34498 1 373 . 1 . 1 35 35 LYS HB2 H 1 1.688 0.020 . 1 . . . . A 35 LYS HB2 . 34498 1 374 . 1 . 1 35 35 LYS HB3 H 1 1.688 0.020 . 1 . . . . A 35 LYS HB3 . 34498 1 375 . 1 . 1 35 35 LYS HG2 H 1 1.259 0.020 . 1 . . . . A 35 LYS HG2 . 34498 1 376 . 1 . 1 35 35 LYS HG3 H 1 1.259 0.020 . 1 . . . . A 35 LYS HG3 . 34498 1 377 . 1 . 1 35 35 LYS HD2 H 1 1.520 0.020 . 1 . . . . A 35 LYS HD2 . 34498 1 378 . 1 . 1 35 35 LYS HD3 H 1 1.520 0.020 . 1 . . . . A 35 LYS HD3 . 34498 1 379 . 1 . 1 35 35 LYS HE2 H 1 2.861 0.020 . 1 . . . . A 35 LYS HE2 . 34498 1 380 . 1 . 1 35 35 LYS HE3 H 1 2.861 0.020 . 1 . . . . A 35 LYS HE3 . 34498 1 381 . 1 . 1 35 35 LYS C C 13 175.757 0.3 . 1 . . . . A 35 LYS C . 34498 1 382 . 1 . 1 35 35 LYS CA C 13 54.285 0.3 . 1 . . . . A 35 LYS CA . 34498 1 383 . 1 . 1 35 35 LYS CB C 13 33.610 0.3 . 1 . . . . A 35 LYS CB . 34498 1 384 . 1 . 1 35 35 LYS CG C 13 24.371 0.3 . 1 . . . . A 35 LYS CG . 34498 1 385 . 1 . 1 35 35 LYS CD C 13 29.100 0.3 . 1 . . . . A 35 LYS CD . 34498 1 386 . 1 . 1 35 35 LYS CE C 13 41.975 0.3 . 1 . . . . A 35 LYS CE . 34498 1 387 . 1 . 1 35 35 LYS N N 15 128.516 0.3 . 1 . . . . A 35 LYS N . 34498 1 388 . 1 . 1 36 36 GLY H H 1 8.574 0.020 . 1 . . . . A 36 GLY H . 34498 1 389 . 1 . 1 36 36 GLY HA2 H 1 3.966 0.020 . 2 . . . . A 36 GLY HA2 . 34498 1 390 . 1 . 1 36 36 GLY HA3 H 1 3.503 0.020 . 2 . . . . A 36 GLY HA3 . 34498 1 391 . 1 . 1 36 36 GLY C C 13 174.122 0.3 . 1 . . . . A 36 GLY C . 34498 1 392 . 1 . 1 36 36 GLY CA C 13 46.774 0.3 . 1 . . . . A 36 GLY CA . 34498 1 393 . 1 . 1 36 36 GLY N N 15 114.934 0.3 . 1 . . . . A 36 GLY N . 34498 1 394 . 1 . 1 37 37 GLN H H 1 8.627 0.020 . 1 . . . . A 37 GLN H . 34498 1 395 . 1 . 1 37 37 GLN HA H 1 3.958 0.020 . 1 . . . . A 37 GLN HA . 34498 1 396 . 1 . 1 37 37 GLN HB2 H 1 1.862 0.020 . 2 . . . . A 37 GLN HB2 . 34498 1 397 . 1 . 1 37 37 GLN HB3 H 1 1.500 0.020 . 2 . . . . A 37 GLN HB3 . 34498 1 398 . 1 . 1 37 37 GLN HG2 H 1 2.129 0.020 . 1 . . . . A 37 GLN HG2 . 34498 1 399 . 1 . 1 37 37 GLN HG3 H 1 2.129 0.020 . 1 . . . . A 37 GLN HG3 . 34498 1 400 . 1 . 1 37 37 GLN C C 13 173.108 0.3 . 1 . . . . A 37 GLN C . 34498 1 401 . 1 . 1 37 37 GLN CA C 13 55.434 0.3 . 1 . . . . A 37 GLN CA . 34498 1 402 . 1 . 1 37 37 GLN CB C 13 28.586 0.3 . 1 . . . . A 37 GLN CB . 34498 1 403 . 1 . 1 37 37 GLN CG C 13 33.699 0.3 . 1 . . . . A 37 GLN CG . 34498 1 404 . 1 . 1 37 37 GLN N N 15 123.643 0.3 . 1 . . . . A 37 GLN N . 34498 1 405 . 1 . 1 38 38 PHE H H 1 7.492 0.020 . 1 . . . . A 38 PHE H . 34498 1 406 . 1 . 1 38 38 PHE HA H 1 4.800 0.020 . 1 . . . . A 38 PHE HA . 34498 1 407 . 1 . 1 38 38 PHE HB2 H 1 2.646 0.020 . 2 . . . . A 38 PHE HB2 . 34498 1 408 . 1 . 1 38 38 PHE HB3 H 1 2.364 0.020 . 2 . . . . A 38 PHE HB3 . 34498 1 409 . 1 . 1 38 38 PHE C C 13 172.716 0.3 . 1 . . . . A 38 PHE C . 34498 1 410 . 1 . 1 38 38 PHE CA C 13 55.416 0.3 . 1 . . . . A 38 PHE CA . 34498 1 411 . 1 . 1 38 38 PHE CB C 13 42.299 0.3 . 1 . . . . A 38 PHE CB . 34498 1 412 . 1 . 1 38 38 PHE N N 15 116.682 0.3 . 1 . . . . A 38 PHE N . 34498 1 413 . 1 . 1 39 39 GLY H H 1 7.949 0.020 . 1 . . . . A 39 GLY H . 34498 1 414 . 1 . 1 39 39 GLY HA2 H 1 4.136 0.020 . 2 . . . . A 39 GLY HA2 . 34498 1 415 . 1 . 1 39 39 GLY HA3 H 1 2.485 0.020 . 2 . . . . A 39 GLY HA3 . 34498 1 416 . 1 . 1 39 39 GLY C C 13 170.343 0.3 . 1 . . . . A 39 GLY C . 34498 1 417 . 1 . 1 39 39 GLY CA C 13 43.548 0.3 . 1 . . . . A 39 GLY CA . 34498 1 418 . 1 . 1 39 39 GLY N N 15 107.075 0.3 . 1 . . . . A 39 GLY N . 34498 1 419 . 1 . 1 40 40 PHE H H 1 8.406 0.020 . 1 . . . . A 40 PHE H . 34498 1 420 . 1 . 1 40 40 PHE HA H 1 5.122 0.020 . 1 . . . . A 40 PHE HA . 34498 1 421 . 1 . 1 40 40 PHE HB2 H 1 2.818 0.020 . 1 . . . . A 40 PHE HB2 . 34498 1 422 . 1 . 1 40 40 PHE HB3 H 1 2.818 0.020 . 1 . . . . A 40 PHE HB3 . 34498 1 423 . 1 . 1 40 40 PHE C C 13 175.965 0.3 . 1 . . . . A 40 PHE C . 34498 1 424 . 1 . 1 40 40 PHE CA C 13 56.755 0.3 . 1 . . . . A 40 PHE CA . 34498 1 425 . 1 . 1 40 40 PHE CB C 13 41.814 0.3 . 1 . . . . A 40 PHE CB . 34498 1 426 . 1 . 1 40 40 PHE N N 15 115.029 0.3 . 1 . . . . A 40 PHE N . 34498 1 427 . 1 . 1 41 41 LEU H H 1 9.281 0.020 . 1 . . . . A 41 LEU H . 34498 1 428 . 1 . 1 41 41 LEU HA H 1 4.746 0.020 . 1 . . . . A 41 LEU HA . 34498 1 429 . 1 . 1 41 41 LEU HB2 H 1 1.684 0.020 . 2 . . . . A 41 LEU HB2 . 34498 1 430 . 1 . 1 41 41 LEU HB3 H 1 0.922 0.020 . 2 . . . . A 41 LEU HB3 . 34498 1 431 . 1 . 1 41 41 LEU HG H 1 1.408 0.020 . 1 . . . . A 41 LEU HG . 34498 1 432 . 1 . 1 41 41 LEU HD11 H 1 0.300 0.020 . 1 . . . . A 41 LEU HD11 . 34498 1 433 . 1 . 1 41 41 LEU HD12 H 1 0.300 0.020 . 1 . . . . A 41 LEU HD12 . 34498 1 434 . 1 . 1 41 41 LEU HD13 H 1 0.300 0.020 . 1 . . . . A 41 LEU HD13 . 34498 1 435 . 1 . 1 41 41 LEU HD21 H 1 -0.534 0.020 . 1 . . . . A 41 LEU HD21 . 34498 1 436 . 1 . 1 41 41 LEU HD22 H 1 -0.534 0.020 . 1 . . . . A 41 LEU HD22 . 34498 1 437 . 1 . 1 41 41 LEU HD23 H 1 -0.534 0.020 . 1 . . . . A 41 LEU HD23 . 34498 1 438 . 1 . 1 41 41 LEU C C 13 176.794 0.3 . 1 . . . . A 41 LEU C . 34498 1 439 . 1 . 1 41 41 LEU CA C 13 53.237 0.3 . 1 . . . . A 41 LEU CA . 34498 1 440 . 1 . 1 41 41 LEU CB C 13 45.000 0.3 . 1 . . . . A 41 LEU CB . 34498 1 441 . 1 . 1 41 41 LEU CG C 13 26.407 0.3 . 1 . . . . A 41 LEU CG . 34498 1 442 . 1 . 1 41 41 LEU CD1 C 13 24.884 0.3 . 1 . . . . A 41 LEU CD1 . 34498 1 443 . 1 . 1 41 41 LEU CD2 C 13 24.019 0.3 . 1 . . . . A 41 LEU CD2 . 34498 1 444 . 1 . 1 41 41 LEU N N 15 122.651 0.3 . 1 . . . . A 41 LEU N . 34498 1 445 . 1 . 1 42 42 ASN H H 1 8.956 0.020 . 1 . . . . A 42 ASN H . 34498 1 446 . 1 . 1 42 42 ASN HA H 1 4.919 0.020 . 1 . . . . A 42 ASN HA . 34498 1 447 . 1 . 1 42 42 ASN HB2 H 1 2.753 0.020 . 1 . . . . A 42 ASN HB2 . 34498 1 448 . 1 . 1 42 42 ASN HB3 H 1 2.753 0.020 . 1 . . . . A 42 ASN HB3 . 34498 1 449 . 1 . 1 42 42 ASN C C 13 174.306 0.3 . 1 . . . . A 42 ASN C . 34498 1 450 . 1 . 1 42 42 ASN CA C 13 52.948 0.3 . 1 . . . . A 42 ASN CA . 34498 1 451 . 1 . 1 42 42 ASN CB C 13 36.415 0.3 . 1 . . . . A 42 ASN CB . 34498 1 452 . 1 . 1 42 42 ASN N N 15 119.262 0.3 . 1 . . . . A 42 ASN N . 34498 1 453 . 1 . 1 43 43 PHE H H 1 8.175 0.020 . 1 . . . . A 43 PHE H . 34498 1 454 . 1 . 1 43 43 PHE HA H 1 4.425 0.020 . 1 . . . . A 43 PHE HA . 34498 1 455 . 1 . 1 43 43 PHE HB2 H 1 2.819 0.020 . 2 . . . . A 43 PHE HB2 . 34498 1 456 . 1 . 1 43 43 PHE HB3 H 1 2.530 0.020 . 2 . . . . A 43 PHE HB3 . 34498 1 457 . 1 . 1 43 43 PHE C C 13 172.739 0.3 . 1 . . . . A 43 PHE C . 34498 1 458 . 1 . 1 43 43 PHE CA C 13 58.367 0.3 . 1 . . . . A 43 PHE CA . 34498 1 459 . 1 . 1 43 43 PHE CB C 13 41.861 0.3 . 1 . . . . A 43 PHE CB . 34498 1 460 . 1 . 1 43 43 PHE N N 15 124.680 0.3 . 1 . . . . A 43 PHE N . 34498 1 461 . 1 . 1 44 44 GLU H H 1 7.960 0.020 . 1 . . . . A 44 GLU H . 34498 1 462 . 1 . 1 44 44 GLU HA H 1 4.727 0.020 . 1 . . . . A 44 GLU HA . 34498 1 463 . 1 . 1 44 44 GLU HB2 H 1 1.691 0.020 . 1 . . . . A 44 GLU HB2 . 34498 1 464 . 1 . 1 44 44 GLU HB3 H 1 1.691 0.020 . 1 . . . . A 44 GLU HB3 . 34498 1 465 . 1 . 1 44 44 GLU HG2 H 1 1.982 0.020 . 1 . . . . A 44 GLU HG2 . 34498 1 466 . 1 . 1 44 44 GLU HG3 H 1 1.982 0.020 . 1 . . . . A 44 GLU HG3 . 34498 1 467 . 1 . 1 44 44 GLU C C 13 175.757 0.3 . 1 . . . . A 44 GLU C . 34498 1 468 . 1 . 1 44 44 GLU CA C 13 55.326 0.3 . 1 . . . . A 44 GLU CA . 34498 1 469 . 1 . 1 44 44 GLU CB C 13 30.942 0.3 . 1 . . . . A 44 GLU CB . 34498 1 470 . 1 . 1 44 44 GLU CG C 13 35.984 0.3 . 1 . . . . A 44 GLU CG . 34498 1 471 . 1 . 1 44 44 GLU N N 15 126.881 0.3 . 1 . . . . A 44 GLU N . 34498 1 472 . 1 . 1 45 45 VAL H H 1 8.656 0.020 . 1 . . . . A 45 VAL H . 34498 1 473 . 1 . 1 45 45 VAL HA H 1 4.187 0.020 . 1 . . . . A 45 VAL HA . 34498 1 474 . 1 . 1 45 45 VAL HB H 1 2.196 0.020 . 1 . . . . A 45 VAL HB . 34498 1 475 . 1 . 1 45 45 VAL HG11 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG11 . 34498 1 476 . 1 . 1 45 45 VAL HG12 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG12 . 34498 1 477 . 1 . 1 45 45 VAL HG13 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG13 . 34498 1 478 . 1 . 1 45 45 VAL HG21 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG21 . 34498 1 479 . 1 . 1 45 45 VAL HG22 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG22 . 34498 1 480 . 1 . 1 45 45 VAL HG23 H 1 0.988 0.020 . 1 . . . . A 45 VAL HG23 . 34498 1 481 . 1 . 1 45 45 VAL C C 13 175.757 0.3 . 1 . . . . A 45 VAL C . 34498 1 482 . 1 . 1 45 45 VAL CA C 13 61.779 0.3 . 1 . . . . A 45 VAL CA . 34498 1 483 . 1 . 1 45 45 VAL CB C 13 32.485 0.3 . 1 . . . . A 45 VAL CB . 34498 1 484 . 1 . 1 45 45 VAL CG1 C 13 22.393 0.3 . 1 . . . . A 45 VAL CG1 . 34498 1 485 . 1 . 1 45 45 VAL CG2 C 13 20.881 0.3 . 1 . . . . A 45 VAL CG2 . 34498 1 486 . 1 . 1 45 45 VAL N N 15 120.206 0.3 . 1 . . . . A 45 VAL N . 34498 1 487 . 1 . 1 46 46 GLU H H 1 8.512 0.020 . 1 . . . . A 46 GLU H . 34498 1 488 . 1 . 1 46 46 GLU HA H 1 4.176 0.020 . 1 . . . . A 46 GLU HA . 34498 1 489 . 1 . 1 46 46 GLU HB2 H 1 1.965 0.020 . 1 . . . . A 46 GLU HB2 . 34498 1 490 . 1 . 1 46 46 GLU HB3 H 1 1.965 0.020 . 1 . . . . A 46 GLU HB3 . 34498 1 491 . 1 . 1 46 46 GLU HG2 H 1 2.304 0.020 . 1 . . . . A 46 GLU HG2 . 34498 1 492 . 1 . 1 46 46 GLU HG3 H 1 2.304 0.020 . 1 . . . . A 46 GLU HG3 . 34498 1 493 . 1 . 1 46 46 GLU C C 13 175.688 0.3 . 1 . . . . A 46 GLU C . 34498 1 494 . 1 . 1 46 46 GLU CA C 13 56.497 0.3 . 1 . . . . A 46 GLU CA . 34498 1 495 . 1 . 1 46 46 GLU CB C 13 30.006 0.3 . 1 . . . . A 46 GLU CB . 34498 1 496 . 1 . 1 46 46 GLU CG C 13 36.406 0.3 . 1 . . . . A 46 GLU CG . 34498 1 497 . 1 . 1 46 46 GLU N N 15 120.523 0.3 . 1 . . . . A 46 GLU N . 34498 1 498 . 1 . 1 47 47 ASP H H 1 8.479 0.020 . 1 . . . . A 47 ASP H . 34498 1 499 . 1 . 1 47 47 ASP HA H 1 4.246 0.020 . 1 . . . . A 47 ASP HA . 34498 1 500 . 1 . 1 47 47 ASP HB2 H 1 2.629 0.020 . 1 . . . . A 47 ASP HB2 . 34498 1 501 . 1 . 1 47 47 ASP HB3 H 1 2.629 0.020 . 1 . . . . A 47 ASP HB3 . 34498 1 502 . 1 . 1 47 47 ASP C C 13 176.748 0.3 . 1 . . . . A 47 ASP C . 34498 1 503 . 1 . 1 47 47 ASP CA C 13 55.387 0.3 . 1 . . . . A 47 ASP CA . 34498 1 504 . 1 . 1 47 47 ASP CB C 13 40.269 0.3 . 1 . . . . A 47 ASP CB . 34498 1 505 . 1 . 1 47 47 ASP N N 15 119.244 0.3 . 1 . . . . A 47 ASP N . 34498 1 506 . 1 . 1 48 48 GLY H H 1 8.440 0.020 . 1 . . . . A 48 GLY H . 34498 1 507 . 1 . 1 48 48 GLY HA2 H 1 4.020 0.020 . 2 . . . . A 48 GLY HA2 . 34498 1 508 . 1 . 1 48 48 GLY HA3 H 1 3.638 0.020 . 2 . . . . A 48 GLY HA3 . 34498 1 509 . 1 . 1 48 48 GLY C C 13 173.960 0.3 . 1 . . . . A 48 GLY C . 34498 1 510 . 1 . 1 48 48 GLY CA C 13 45.713 0.3 . 1 . . . . A 48 GLY CA . 34498 1 511 . 1 . 1 48 48 GLY N N 15 110.103 0.3 . 1 . . . . A 48 GLY N . 34498 1 512 . 1 . 1 49 49 LYS H H 1 7.830 0.020 . 1 . . . . A 49 LYS H . 34498 1 513 . 1 . 1 49 49 LYS HA H 1 4.455 0.020 . 1 . . . . A 49 LYS HA . 34498 1 514 . 1 . 1 49 49 LYS HB2 H 1 1.767 0.020 . 1 . . . . A 49 LYS HB2 . 34498 1 515 . 1 . 1 49 49 LYS HB3 H 1 1.767 0.020 . 1 . . . . A 49 LYS HB3 . 34498 1 516 . 1 . 1 49 49 LYS HG2 H 1 1.338 0.020 . 1 . . . . A 49 LYS HG2 . 34498 1 517 . 1 . 1 49 49 LYS HG3 H 1 1.338 0.020 . 1 . . . . A 49 LYS HG3 . 34498 1 518 . 1 . 1 49 49 LYS HD2 H 1 1.646 0.020 . 1 . . . . A 49 LYS HD2 . 34498 1 519 . 1 . 1 49 49 LYS HD3 H 1 1.646 0.020 . 1 . . . . A 49 LYS HD3 . 34498 1 520 . 1 . 1 49 49 LYS HE2 H 1 2.922 0.020 . 2 . . . . A 49 LYS HE2 . 34498 1 521 . 1 . 1 49 49 LYS HE3 H 1 2.933 0.020 . 2 . . . . A 49 LYS HE3 . 34498 1 522 . 1 . 1 49 49 LYS C C 13 175.550 0.3 . 1 . . . . A 49 LYS C . 34498 1 523 . 1 . 1 49 49 LYS CA C 13 54.754 0.3 . 1 . . . . A 49 LYS CA . 34498 1 524 . 1 . 1 49 49 LYS CB C 13 33.143 0.3 . 1 . . . . A 49 LYS CB . 34498 1 525 . 1 . 1 49 49 LYS CG C 13 24.699 0.3 . 1 . . . . A 49 LYS CG . 34498 1 526 . 1 . 1 49 49 LYS CD C 13 28.838 0.3 . 1 . . . . A 49 LYS CD . 34498 1 527 . 1 . 1 49 49 LYS CE C 13 41.958 0.3 . 1 . . . . A 49 LYS CE . 34498 1 528 . 1 . 1 49 49 LYS N N 15 120.582 0.3 . 1 . . . . A 49 LYS N . 34498 1 529 . 1 . 1 50 50 LYS H H 1 8.251 0.020 . 1 . . . . A 50 LYS H . 34498 1 530 . 1 . 1 50 50 LYS HA H 1 4.539 0.020 . 1 . . . . A 50 LYS HA . 34498 1 531 . 1 . 1 50 50 LYS HB2 H 1 2.480 0.020 . 1 . . . . A 50 LYS HB2 . 34498 1 532 . 1 . 1 50 50 LYS HB3 H 1 2.480 0.020 . 1 . . . . A 50 LYS HB3 . 34498 1 533 . 1 . 1 50 50 LYS HG2 H 1 1.407 0.020 . 1 . . . . A 50 LYS HG2 . 34498 1 534 . 1 . 1 50 50 LYS HG3 H 1 1.407 0.020 . 1 . . . . A 50 LYS HG3 . 34498 1 535 . 1 . 1 50 50 LYS HD2 H 1 1.526 0.020 . 1 . . . . A 50 LYS HD2 . 34498 1 536 . 1 . 1 50 50 LYS HD3 H 1 1.526 0.020 . 1 . . . . A 50 LYS HD3 . 34498 1 537 . 1 . 1 50 50 LYS HE2 H 1 2.891 0.020 . 1 . . . . A 50 LYS HE2 . 34498 1 538 . 1 . 1 50 50 LYS HE3 H 1 2.891 0.020 . 1 . . . . A 50 LYS HE3 . 34498 1 539 . 1 . 1 50 50 LYS C C 13 177.140 0.3 . 1 . . . . A 50 LYS C . 34498 1 540 . 1 . 1 50 50 LYS CA C 13 56.546 0.3 . 1 . . . . A 50 LYS CA . 34498 1 541 . 1 . 1 50 50 LYS CB C 13 32.775 0.3 . 1 . . . . A 50 LYS CB . 34498 1 542 . 1 . 1 50 50 LYS CG C 13 26.539 0.3 . 1 . . . . A 50 LYS CG . 34498 1 543 . 1 . 1 50 50 LYS CD C 13 29.035 0.3 . 1 . . . . A 50 LYS CD . 34498 1 544 . 1 . 1 50 50 LYS CE C 13 42.435 0.3 . 1 . . . . A 50 LYS CE . 34498 1 545 . 1 . 1 50 50 LYS N N 15 122.145 0.3 . 1 . . . . A 50 LYS N . 34498 1 546 . 1 . 1 51 51 LEU H H 1 8.370 0.020 . 1 . . . . A 51 LEU H . 34498 1 547 . 1 . 1 51 51 LEU HA H 1 4.293 0.020 . 1 . . . . A 51 LEU HA . 34498 1 548 . 1 . 1 51 51 LEU HB2 H 1 1.572 0.020 . 2 . . . . A 51 LEU HB2 . 34498 1 549 . 1 . 1 51 51 LEU HB3 H 1 1.694 0.020 . 2 . . . . A 51 LEU HB3 . 34498 1 550 . 1 . 1 51 51 LEU HG H 1 1.600 0.020 . 1 . . . . A 51 LEU HG . 34498 1 551 . 1 . 1 51 51 LEU HD11 H 1 0.823 0.020 . 1 . . . . A 51 LEU HD11 . 34498 1 552 . 1 . 1 51 51 LEU HD12 H 1 0.823 0.020 . 1 . . . . A 51 LEU HD12 . 34498 1 553 . 1 . 1 51 51 LEU HD13 H 1 0.823 0.020 . 1 . . . . A 51 LEU HD13 . 34498 1 554 . 1 . 1 51 51 LEU HD21 H 1 0.727 0.020 . 1 . . . . A 51 LEU HD21 . 34498 1 555 . 1 . 1 51 51 LEU HD22 H 1 0.727 0.020 . 1 . . . . A 51 LEU HD22 . 34498 1 556 . 1 . 1 51 51 LEU HD23 H 1 0.727 0.020 . 1 . . . . A 51 LEU HD23 . 34498 1 557 . 1 . 1 51 51 LEU C C 13 174.329 0.3 . 1 . . . . A 51 LEU C . 34498 1 558 . 1 . 1 51 51 LEU CA C 13 55.745 0.3 . 1 . . . . A 51 LEU CA . 34498 1 559 . 1 . 1 51 51 LEU CB C 13 43.890 0.3 . 1 . . . . A 51 LEU CB . 34498 1 560 . 1 . 1 51 51 LEU CG C 13 28.575 0.3 . 1 . . . . A 51 LEU CG . 34498 1 561 . 1 . 1 51 51 LEU CD1 C 13 23.911 0.3 . 1 . . . . A 51 LEU CD1 . 34498 1 562 . 1 . 1 51 51 LEU CD2 C 13 23.496 0.3 . 1 . . . . A 51 LEU CD2 . 34498 1 563 . 1 . 1 51 51 LEU N N 15 124.460 0.3 . 1 . . . . A 51 LEU N . 34498 1 564 . 1 . 1 52 52 PHE H H 1 7.702 0.020 . 1 . . . . A 52 PHE H . 34498 1 565 . 1 . 1 52 52 PHE HA H 1 5.205 0.020 . 1 . . . . A 52 PHE HA . 34498 1 566 . 1 . 1 52 52 PHE HB2 H 1 2.923 0.020 . 2 . . . . A 52 PHE HB2 . 34498 1 567 . 1 . 1 52 52 PHE HB3 H 1 1.540 0.020 . 2 . . . . A 52 PHE HB3 . 34498 1 568 . 1 . 1 52 52 PHE C C 13 174.135 0.3 . 1 . . . . A 52 PHE C . 34498 1 569 . 1 . 1 52 52 PHE CA C 13 55.137 0.3 . 1 . . . . A 52 PHE CA . 34498 1 570 . 1 . 1 52 52 PHE CB C 13 41.818 0.3 . 1 . . . . A 52 PHE CB . 34498 1 571 . 1 . 1 52 52 PHE N N 15 124.566 0.3 . 1 . . . . A 52 PHE N . 34498 1 572 . 1 . 1 53 53 PHE H H 1 8.189 0.020 . 1 . . . . A 53 PHE H . 34498 1 573 . 1 . 1 53 53 PHE CA C 13 54.870 0.3 . 1 . . . . A 53 PHE CA . 34498 1 574 . 1 . 1 53 53 PHE CB C 13 42.345 0.3 . 1 . . . . A 53 PHE CB . 34498 1 575 . 1 . 1 53 53 PHE N N 15 116.943 0.3 . 1 . . . . A 53 PHE N . 34498 1 576 . 1 . 1 54 54 HIS H H 1 9.136 0.020 . 1 . . . . A 54 HIS H . 34498 1 577 . 1 . 1 54 54 HIS HA H 1 4.445 0.020 . 1 . . . . A 54 HIS HA . 34498 1 578 . 1 . 1 54 54 HIS HB2 H 1 2.957 0.020 . 1 . . . . A 54 HIS HB2 . 34498 1 579 . 1 . 1 54 54 HIS HB3 H 1 2.957 0.020 . 1 . . . . A 54 HIS HB3 . 34498 1 580 . 1 . 1 54 54 HIS C C 13 177.669 0.3 . 1 . . . . A 54 HIS C . 34498 1 581 . 1 . 1 54 54 HIS CA C 13 56.829 0.3 . 1 . . . . A 54 HIS CA . 34498 1 582 . 1 . 1 54 54 HIS CB C 13 32.618 0.3 . 1 . . . . A 54 HIS CB . 34498 1 583 . 1 . 1 54 54 HIS N N 15 122.112 0.3 . 1 . . . . A 54 HIS N . 34498 1 584 . 1 . 1 55 55 MET H H 1 8.262 0.020 . 1 . . . . A 55 MET H . 34498 1 585 . 1 . 1 55 55 MET HA H 1 4.379 0.020 . 1 . . . . A 55 MET HA . 34498 1 586 . 1 . 1 55 55 MET HB2 H 1 1.844 0.020 . 2 . . . . A 55 MET HB2 . 34498 1 587 . 1 . 1 55 55 MET HB3 H 1 1.651 0.020 . 2 . . . . A 55 MET HB3 . 34498 1 588 . 1 . 1 55 55 MET HG2 H 1 2.576 0.020 . 1 . . . . A 55 MET HG2 . 34498 1 589 . 1 . 1 55 55 MET HG3 H 1 2.576 0.020 . 1 . . . . A 55 MET HG3 . 34498 1 590 . 1 . 1 55 55 MET C C 13 178.511 0.3 . 1 . . . . A 55 MET C . 34498 1 591 . 1 . 1 55 55 MET CA C 13 56.354 0.3 . 1 . . . . A 55 MET CA . 34498 1 592 . 1 . 1 55 55 MET CB C 13 30.315 0.3 . 1 . . . . A 55 MET CB . 34498 1 593 . 1 . 1 55 55 MET CG C 13 32.590 0.3 . 1 . . . . A 55 MET CG . 34498 1 594 . 1 . 1 55 55 MET N N 15 125.747 0.3 . 1 . . . . A 55 MET N . 34498 1 595 . 1 . 1 56 56 SER H H 1 9.624 0.020 . 1 . . . . A 56 SER H . 34498 1 596 . 1 . 1 56 56 SER HA H 1 4.256 0.020 . 1 . . . . A 56 SER HA . 34498 1 597 . 1 . 1 56 56 SER HB2 H 1 4.025 0.020 . 1 . . . . A 56 SER HB2 . 34498 1 598 . 1 . 1 56 56 SER HB3 H 1 4.025 0.020 . 1 . . . . A 56 SER HB3 . 34498 1 599 . 1 . 1 56 56 SER C C 13 175.788 0.3 . 1 . . . . A 56 SER C . 34498 1 600 . 1 . 1 56 56 SER CA C 13 60.821 0.3 . 1 . . . . A 56 SER CA . 34498 1 601 . 1 . 1 56 56 SER CB C 13 62.301 0.3 . 1 . . . . A 56 SER CB . 34498 1 602 . 1 . 1 56 56 SER N N 15 117.703 0.3 . 1 . . . . A 56 SER N . 34498 1 603 . 1 . 1 57 57 GLU H H 1 8.321 0.020 . 1 . . . . A 57 GLU H . 34498 1 604 . 1 . 1 57 57 GLU HA H 1 4.432 0.020 . 1 . . . . A 57 GLU HA . 34498 1 605 . 1 . 1 57 57 GLU HB2 H 1 2.531 0.020 . 2 . . . . A 57 GLU HB2 . 34498 1 606 . 1 . 1 57 57 GLU HB3 H 1 2.168 0.020 . 2 . . . . A 57 GLU HB3 . 34498 1 607 . 1 . 1 57 57 GLU HG2 H 1 2.870 0.020 . 1 . . . . A 57 GLU HG2 . 34498 1 608 . 1 . 1 57 57 GLU HG3 H 1 2.870 0.020 . 1 . . . . A 57 GLU HG3 . 34498 1 609 . 1 . 1 57 57 GLU C C 13 176.771 0.3 . 1 . . . . A 57 GLU C . 34498 1 610 . 1 . 1 57 57 GLU CA C 13 56.117 0.3 . 1 . . . . A 57 GLU CA . 34498 1 611 . 1 . 1 57 57 GLU CB C 13 29.845 0.3 . 1 . . . . A 57 GLU CB . 34498 1 612 . 1 . 1 57 57 GLU CG C 13 36.499 0.3 . 1 . . . . A 57 GLU CG . 34498 1 613 . 1 . 1 57 57 GLU N N 15 119.665 0.3 . 1 . . . . A 57 GLU N . 34498 1 614 . 1 . 1 58 58 VAL H H 1 7.546 0.020 . 1 . . . . A 58 VAL H . 34498 1 615 . 1 . 1 58 58 VAL HA H 1 4.283 0.020 . 1 . . . . A 58 VAL HA . 34498 1 616 . 1 . 1 58 58 VAL HB H 1 2.133 0.020 . 1 . . . . A 58 VAL HB . 34498 1 617 . 1 . 1 58 58 VAL HG11 H 1 0.961 0.020 . 1 . . . . A 58 VAL HG11 . 34498 1 618 . 1 . 1 58 58 VAL HG12 H 1 0.961 0.020 . 1 . . . . A 58 VAL HG12 . 34498 1 619 . 1 . 1 58 58 VAL HG13 H 1 0.961 0.020 . 1 . . . . A 58 VAL HG13 . 34498 1 620 . 1 . 1 58 58 VAL HG21 H 1 0.814 0.020 . 1 . . . . A 58 VAL HG21 . 34498 1 621 . 1 . 1 58 58 VAL HG22 H 1 0.814 0.020 . 1 . . . . A 58 VAL HG22 . 34498 1 622 . 1 . 1 58 58 VAL HG23 H 1 0.814 0.020 . 1 . . . . A 58 VAL HG23 . 34498 1 623 . 1 . 1 58 58 VAL C C 13 176.155 0.3 . 1 . . . . A 58 VAL C . 34498 1 624 . 1 . 1 58 58 VAL CA C 13 62.655 0.3 . 1 . . . . A 58 VAL CA . 34498 1 625 . 1 . 1 58 58 VAL CB C 13 31.276 0.3 . 1 . . . . A 58 VAL CB . 34498 1 626 . 1 . 1 58 58 VAL CG1 C 13 23.498 0.3 . 1 . . . . A 58 VAL CG1 . 34498 1 627 . 1 . 1 58 58 VAL CG2 C 13 21.218 0.3 . 1 . . . . A 58 VAL CG2 . 34498 1 628 . 1 . 1 58 58 VAL N N 15 122.275 0.3 . 1 . . . . A 58 VAL N . 34498 1 629 . 1 . 1 59 59 GLN H H 1 8.919 0.020 . 1 . . . . A 59 GLN H . 34498 1 630 . 1 . 1 59 59 GLN HA H 1 4.267 0.020 . 1 . . . . A 59 GLN HA . 34498 1 631 . 1 . 1 59 59 GLN HB2 H 1 2.042 0.020 . 2 . . . . A 59 GLN HB2 . 34498 1 632 . 1 . 1 59 59 GLN HB3 H 1 1.829 0.020 . 2 . . . . A 59 GLN HB3 . 34498 1 633 . 1 . 1 59 59 GLN HG2 H 1 2.248 0.020 . 1 . . . . A 59 GLN HG2 . 34498 1 634 . 1 . 1 59 59 GLN HG3 H 1 2.248 0.020 . 1 . . . . A 59 GLN HG3 . 34498 1 635 . 1 . 1 59 59 GLN C C 13 175.734 0.3 . 1 . . . . A 59 GLN C . 34498 1 636 . 1 . 1 59 59 GLN CA C 13 54.916 0.3 . 1 . . . . A 59 GLN CA . 34498 1 637 . 1 . 1 59 59 GLN CB C 13 29.806 0.3 . 1 . . . . A 59 GLN CB . 34498 1 638 . 1 . 1 59 59 GLN CG C 13 33.809 0.3 . 1 . . . . A 59 GLN CG . 34498 1 639 . 1 . 1 59 59 GLN N N 15 127.958 0.3 . 1 . . . . A 59 GLN N . 34498 1 640 . 1 . 1 60 60 GLY H H 1 8.361 0.020 . 1 . . . . A 60 GLY H . 34498 1 641 . 1 . 1 60 60 GLY HA2 H 1 4.098 0.020 . 2 . . . . A 60 GLY HA2 . 34498 1 642 . 1 . 1 60 60 GLY HA3 H 1 3.676 0.020 . 2 . . . . A 60 GLY HA3 . 34498 1 643 . 1 . 1 60 60 GLY C C 13 173.730 0.3 . 1 . . . . A 60 GLY C . 34498 1 644 . 1 . 1 60 60 GLY CA C 13 44.844 0.3 . 1 . . . . A 60 GLY CA . 34498 1 645 . 1 . 1 60 60 GLY N N 15 109.673 0.3 . 1 . . . . A 60 GLY N . 34498 1 646 . 1 . 1 61 61 ASN H H 1 8.445 0.020 . 1 . . . . A 61 ASN H . 34498 1 647 . 1 . 1 61 61 ASN HA H 1 4.660 0.020 . 1 . . . . A 61 ASN HA . 34498 1 648 . 1 . 1 61 61 ASN HB2 H 1 2.794 0.020 . 1 . . . . A 61 ASN HB2 . 34498 1 649 . 1 . 1 61 61 ASN HB3 H 1 2.794 0.020 . 1 . . . . A 61 ASN HB3 . 34498 1 650 . 1 . 1 61 61 ASN C C 13 176.126 0.3 . 1 . . . . A 61 ASN C . 34498 1 651 . 1 . 1 61 61 ASN CA C 13 52.956 0.3 . 1 . . . . A 61 ASN CA . 34498 1 652 . 1 . 1 61 61 ASN CB C 13 38.321 0.3 . 1 . . . . A 61 ASN CB . 34498 1 653 . 1 . 1 61 61 ASN N N 15 118.887 0.3 . 1 . . . . A 61 ASN N . 34498 1 654 . 1 . 1 62 62 THR H H 1 8.259 0.020 . 1 . . . . A 62 THR H . 34498 1 655 . 1 . 1 62 62 THR HA H 1 4.199 0.020 . 1 . . . . A 62 THR HA . 34498 1 656 . 1 . 1 62 62 THR HB H 1 4.176 0.020 . 1 . . . . A 62 THR HB . 34498 1 657 . 1 . 1 62 62 THR HG21 H 1 1.128 0.020 . 1 . . . . A 62 THR HG21 . 34498 1 658 . 1 . 1 62 62 THR HG22 H 1 1.128 0.020 . 1 . . . . A 62 THR HG22 . 34498 1 659 . 1 . 1 62 62 THR HG23 H 1 1.128 0.020 . 1 . . . . A 62 THR HG23 . 34498 1 660 . 1 . 1 62 62 THR C C 13 174.674 0.3 . 1 . . . . A 62 THR C . 34498 1 661 . 1 . 1 62 62 THR CA C 13 63.005 0.3 . 1 . . . . A 62 THR CA . 34498 1 662 . 1 . 1 62 62 THR CB C 13 68.831 0.3 . 1 . . . . A 62 THR CB . 34498 1 663 . 1 . 1 62 62 THR CG2 C 13 21.868 0.3 . 1 . . . . A 62 THR CG2 . 34498 1 664 . 1 . 1 62 62 THR N N 15 115.975 0.3 . 1 . . . . A 62 THR N . 34498 1 665 . 1 . 1 63 63 VAL H H 1 7.736 0.020 . 1 . . . . A 63 VAL H . 34498 1 666 . 1 . 1 63 63 VAL HA H 1 3.940 0.020 . 1 . . . . A 63 VAL HA . 34498 1 667 . 1 . 1 63 63 VAL HB H 1 2.015 0.020 . 1 . . . . A 63 VAL HB . 34498 1 668 . 1 . 1 63 63 VAL HG11 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG11 . 34498 1 669 . 1 . 1 63 63 VAL HG12 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG12 . 34498 1 670 . 1 . 1 63 63 VAL HG13 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG13 . 34498 1 671 . 1 . 1 63 63 VAL HG21 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG21 . 34498 1 672 . 1 . 1 63 63 VAL HG22 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG22 . 34498 1 673 . 1 . 1 63 63 VAL HG23 H 1 0.864 0.020 . 1 . . . . A 63 VAL HG23 . 34498 1 674 . 1 . 1 63 63 VAL C C 13 175.135 0.3 . 1 . . . . A 63 VAL C . 34498 1 675 . 1 . 1 63 63 VAL CA C 13 62.282 0.3 . 1 . . . . A 63 VAL CA . 34498 1 676 . 1 . 1 63 63 VAL CB C 13 32.150 0.3 . 1 . . . . A 63 VAL CB . 34498 1 677 . 1 . 1 63 63 VAL CG1 C 13 20.744 0.3 . 1 . . . . A 63 VAL CG1 . 34498 1 678 . 1 . 1 63 63 VAL CG2 C 13 20.744 0.3 . 1 . . . . A 63 VAL CG2 . 34498 1 679 . 1 . 1 63 63 VAL N N 15 120.617 0.3 . 1 . . . . A 63 VAL N . 34498 1 680 . 1 . 1 64 64 ALA H H 1 7.775 0.020 . 1 . . . . A 64 ALA H . 34498 1 681 . 1 . 1 64 64 ALA HA H 1 4.269 0.020 . 1 . . . . A 64 ALA HA . 34498 1 682 . 1 . 1 64 64 ALA HB1 H 1 1.219 0.020 . 1 . . . . A 64 ALA HB1 . 34498 1 683 . 1 . 1 64 64 ALA HB2 H 1 1.219 0.020 . 1 . . . . A 64 ALA HB2 . 34498 1 684 . 1 . 1 64 64 ALA HB3 H 1 1.219 0.020 . 1 . . . . A 64 ALA HB3 . 34498 1 685 . 1 . 1 64 64 ALA C C 13 175.550 0.3 . 1 . . . . A 64 ALA C . 34498 1 686 . 1 . 1 64 64 ALA CA C 13 51.310 0.3 . 1 . . . . A 64 ALA CA . 34498 1 687 . 1 . 1 64 64 ALA CB C 13 19.227 0.3 . 1 . . . . A 64 ALA CB . 34498 1 688 . 1 . 1 64 64 ALA N N 15 125.522 0.3 . 1 . . . . A 64 ALA N . 34498 1 689 . 1 . 1 65 65 LEU H H 1 7.599 0.020 . 1 . . . . A 65 LEU H . 34498 1 690 . 1 . 1 65 65 LEU HA H 1 4.479 0.020 . 1 . . . . A 65 LEU HA . 34498 1 691 . 1 . 1 65 65 LEU HB2 H 1 1.327 0.020 . 2 . . . . A 65 LEU HB2 . 34498 1 692 . 1 . 1 65 65 LEU HB3 H 1 1.397 0.020 . 2 . . . . A 65 LEU HB3 . 34498 1 693 . 1 . 1 65 65 LEU HG H 1 1.438 0.020 . 1 . . . . A 65 LEU HG . 34498 1 694 . 1 . 1 65 65 LEU HD11 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD11 . 34498 1 695 . 1 . 1 65 65 LEU HD12 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD12 . 34498 1 696 . 1 . 1 65 65 LEU HD13 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD13 . 34498 1 697 . 1 . 1 65 65 LEU HD21 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD21 . 34498 1 698 . 1 . 1 65 65 LEU HD22 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD22 . 34498 1 699 . 1 . 1 65 65 LEU HD23 H 1 0.721 0.020 . 1 . . . . A 65 LEU HD23 . 34498 1 700 . 1 . 1 65 65 LEU C C 13 174.605 0.3 . 1 . . . . A 65 LEU C . 34498 1 701 . 1 . 1 65 65 LEU CA C 13 53.733 0.3 . 1 . . . . A 65 LEU CA . 34498 1 702 . 1 . 1 65 65 LEU CB C 13 44.046 0.3 . 1 . . . . A 65 LEU CB . 34498 1 703 . 1 . 1 65 65 LEU CG C 13 26.941 0.3 . 1 . . . . A 65 LEU CG . 34498 1 704 . 1 . 1 65 65 LEU CD1 C 13 25.165 0.3 . 1 . . . . A 65 LEU CD1 . 34498 1 705 . 1 . 1 65 65 LEU CD2 C 13 25.754 0.3 . 1 . . . . A 65 LEU CD2 . 34498 1 706 . 1 . 1 65 65 LEU N N 15 121.209 0.3 . 1 . . . . A 65 LEU N . 34498 1 707 . 1 . 1 66 66 HIS H H 1 9.039 0.020 . 1 . . . . A 66 HIS H . 34498 1 708 . 1 . 1 66 66 HIS CA C 13 52.583 0.3 . 1 . . . . A 66 HIS CA . 34498 1 709 . 1 . 1 66 66 HIS CB C 13 30.298 0.3 . 1 . . . . A 66 HIS CB . 34498 1 710 . 1 . 1 66 66 HIS N N 15 121.581 0.3 . 1 . . . . A 66 HIS N . 34498 1 711 . 1 . 1 67 67 PRO HA H 1 3.901 0.020 . 1 . . . . A 67 PRO HA . 34498 1 712 . 1 . 1 67 67 PRO HB2 H 1 2.213 0.020 . 2 . . . . A 67 PRO HB2 . 34498 1 713 . 1 . 1 67 67 PRO HB3 H 1 1.790 0.020 . 2 . . . . A 67 PRO HB3 . 34498 1 714 . 1 . 1 67 67 PRO HG2 H 1 1.614 0.020 . 1 . . . . A 67 PRO HG2 . 34498 1 715 . 1 . 1 67 67 PRO HG3 H 1 1.614 0.020 . 1 . . . . A 67 PRO HG3 . 34498 1 716 . 1 . 1 67 67 PRO HD2 H 1 3.535 0.020 . 2 . . . . A 67 PRO HD2 . 34498 1 717 . 1 . 1 67 67 PRO HD3 H 1 3.738 0.020 . 2 . . . . A 67 PRO HD3 . 34498 1 718 . 1 . 1 67 67 PRO C C 13 176.955 0.3 . 1 . . . . A 67 PRO C . 34498 1 719 . 1 . 1 67 67 PRO CA C 13 63.844 0.3 . 1 . . . . A 67 PRO CA . 34498 1 720 . 1 . 1 67 67 PRO CB C 13 31.046 0.3 . 1 . . . . A 67 PRO CB . 34498 1 721 . 1 . 1 67 67 PRO CG C 13 29.014 0.3 . 1 . . . . A 67 PRO CG . 34498 1 722 . 1 . 1 67 67 PRO CD C 13 50.753 0.3 . 1 . . . . A 67 PRO CD . 34498 1 723 . 1 . 1 68 68 GLY H H 1 9.466 0.020 . 1 . . . . A 68 GLY H . 34498 1 724 . 1 . 1 68 68 GLY HA2 H 1 4.487 0.020 . 2 . . . . A 68 GLY HA2 . 34498 1 725 . 1 . 1 68 68 GLY HA3 H 1 3.643 0.020 . 2 . . . . A 68 GLY HA3 . 34498 1 726 . 1 . 1 68 68 GLY C C 13 174.352 0.3 . 1 . . . . A 68 GLY C . 34498 1 727 . 1 . 1 68 68 GLY CA C 13 44.663 0.3 . 1 . . . . A 68 GLY CA . 34498 1 728 . 1 . 1 68 68 GLY N N 15 114.140 0.3 . 1 . . . . A 68 GLY N . 34498 1 729 . 1 . 1 69 69 ASP H H 1 7.965 0.020 . 1 . . . . A 69 ASP H . 34498 1 730 . 1 . 1 69 69 ASP HA H 1 4.621 0.020 . 1 . . . . A 69 ASP HA . 34498 1 731 . 1 . 1 69 69 ASP HB2 H 1 2.762 0.020 . 2 . . . . A 69 ASP HB2 . 34498 1 732 . 1 . 1 69 69 ASP HB3 H 1 2.555 0.020 . 2 . . . . A 69 ASP HB3 . 34498 1 733 . 1 . 1 69 69 ASP C C 13 175.366 0.3 . 1 . . . . A 69 ASP C . 34498 1 734 . 1 . 1 69 69 ASP CA C 13 55.279 0.3 . 1 . . . . A 69 ASP CA . 34498 1 735 . 1 . 1 69 69 ASP CB C 13 41.243 0.3 . 1 . . . . A 69 ASP CB . 34498 1 736 . 1 . 1 69 69 ASP N N 15 121.585 0.3 . 1 . . . . A 69 ASP N . 34498 1 737 . 1 . 1 70 70 THR H H 1 9.127 0.020 . 1 . . . . A 70 THR H . 34498 1 738 . 1 . 1 70 70 THR HA H 1 4.567 0.020 . 1 . . . . A 70 THR HA . 34498 1 739 . 1 . 1 70 70 THR HB H 1 3.946 0.020 . 1 . . . . A 70 THR HB . 34498 1 740 . 1 . 1 70 70 THR HG21 H 1 1.035 0.020 . 1 . . . . A 70 THR HG21 . 34498 1 741 . 1 . 1 70 70 THR HG22 H 1 1.035 0.020 . 1 . . . . A 70 THR HG22 . 34498 1 742 . 1 . 1 70 70 THR HG23 H 1 1.035 0.020 . 1 . . . . A 70 THR HG23 . 34498 1 743 . 1 . 1 70 70 THR C C 13 173.578 0.3 . 1 . . . . A 70 THR C . 34498 1 744 . 1 . 1 70 70 THR CA C 13 63.315 0.3 . 1 . . . . A 70 THR CA . 34498 1 745 . 1 . 1 70 70 THR CB C 13 69.123 0.3 . 1 . . . . A 70 THR CB . 34498 1 746 . 1 . 1 70 70 THR CG2 C 13 21.403 0.3 . 1 . . . . A 70 THR CG2 . 34498 1 747 . 1 . 1 70 70 THR N N 15 118.713 0.3 . 1 . . . . A 70 THR N . 34498 1 748 . 1 . 1 71 71 VAL H H 1 8.947 0.020 . 1 . . . . A 71 VAL H . 34498 1 749 . 1 . 1 71 71 VAL HA H 1 5.326 0.020 . 1 . . . . A 71 VAL HA . 34498 1 750 . 1 . 1 71 71 VAL HB H 1 1.829 0.020 . 1 . . . . A 71 VAL HB . 34498 1 751 . 1 . 1 71 71 VAL HG11 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG11 . 34498 1 752 . 1 . 1 71 71 VAL HG12 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG12 . 34498 1 753 . 1 . 1 71 71 VAL HG13 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG13 . 34498 1 754 . 1 . 1 71 71 VAL HG21 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG21 . 34498 1 755 . 1 . 1 71 71 VAL HG22 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG22 . 34498 1 756 . 1 . 1 71 71 VAL HG23 H 1 0.447 0.020 . 1 . . . . A 71 VAL HG23 . 34498 1 757 . 1 . 1 71 71 VAL C C 13 173.914 0.3 . 1 . . . . A 71 VAL C . 34498 1 758 . 1 . 1 71 71 VAL CA C 13 57.385 0.3 . 1 . . . . A 71 VAL CA . 34498 1 759 . 1 . 1 71 71 VAL CB C 13 35.207 0.3 . 1 . . . . A 71 VAL CB . 34498 1 760 . 1 . 1 71 71 VAL CG1 C 13 22.115 0.3 . 1 . . . . A 71 VAL CG1 . 34498 1 761 . 1 . 1 71 71 VAL CG2 C 13 19.557 0.3 . 1 . . . . A 71 VAL CG2 . 34498 1 762 . 1 . 1 71 71 VAL N N 15 117.774 0.3 . 1 . . . . A 71 VAL N . 34498 1 763 . 1 . 1 72 72 GLU H H 1 8.989 0.020 . 1 . . . . A 72 GLU H . 34498 1 764 . 1 . 1 72 72 GLU HA H 1 5.520 0.020 . 1 . . . . A 72 GLU HA . 34498 1 765 . 1 . 1 72 72 GLU HB2 H 1 1.820 0.020 . 1 . . . . A 72 GLU HB2 . 34498 1 766 . 1 . 1 72 72 GLU HB3 H 1 1.820 0.020 . 1 . . . . A 72 GLU HB3 . 34498 1 767 . 1 . 1 72 72 GLU HG2 H 1 2.061 0.020 . 2 . . . . A 72 GLU HG2 . 34498 1 768 . 1 . 1 72 72 GLU HG3 H 1 2.138 0.020 . 2 . . . . A 72 GLU HG3 . 34498 1 769 . 1 . 1 72 72 GLU C C 13 175.314 0.3 . 1 . . . . A 72 GLU C . 34498 1 770 . 1 . 1 72 72 GLU CA C 13 53.430 0.3 . 1 . . . . A 72 GLU CA . 34498 1 771 . 1 . 1 72 72 GLU CB C 13 33.614 0.3 . 1 . . . . A 72 GLU CB . 34498 1 772 . 1 . 1 72 72 GLU CG C 13 38.060 0.3 . 1 . . . . A 72 GLU CG . 34498 1 773 . 1 . 1 72 72 GLU N N 15 120.190 0.3 . 1 . . . . A 72 GLU N . 34498 1 774 . 1 . 1 73 73 PHE H H 1 8.206 0.020 . 1 . . . . A 73 PHE H . 34498 1 775 . 1 . 1 73 73 PHE HA H 1 5.060 0.020 . 1 . . . . A 73 PHE HA . 34498 1 776 . 1 . 1 73 73 PHE HB2 H 1 2.770 0.020 . 1 . . . . A 73 PHE HB2 . 34498 1 777 . 1 . 1 73 73 PHE HB3 H 1 2.770 0.020 . 1 . . . . A 73 PHE HB3 . 34498 1 778 . 1 . 1 73 73 PHE C C 13 172.716 0.3 . 1 . . . . A 73 PHE C . 34498 1 779 . 1 . 1 73 73 PHE CA C 13 56.173 0.3 . 1 . . . . A 73 PHE CA . 34498 1 780 . 1 . 1 73 73 PHE CB C 13 40.457 0.3 . 1 . . . . A 73 PHE CB . 34498 1 781 . 1 . 1 73 73 PHE N N 15 117.043 0.3 . 1 . . . . A 73 PHE N . 34498 1 782 . 1 . 1 74 74 SER H H 1 8.606 0.020 . 1 . . . . A 74 SER H . 34498 1 783 . 1 . 1 74 74 SER HA H 1 4.874 0.020 . 1 . . . . A 74 SER HA . 34498 1 784 . 1 . 1 74 74 SER HB2 H 1 3.740 0.020 . 2 . . . . A 74 SER HB2 . 34498 1 785 . 1 . 1 74 74 SER HB3 H 1 3.563 0.020 . 2 . . . . A 74 SER HB3 . 34498 1 786 . 1 . 1 74 74 SER C C 13 172.716 0.3 . 1 . . . . A 74 SER C . 34498 1 787 . 1 . 1 74 74 SER CA C 13 56.696 0.3 . 1 . . . . A 74 SER CA . 34498 1 788 . 1 . 1 74 74 SER CB C 13 65.864 0.3 . 1 . . . . A 74 SER CB . 34498 1 789 . 1 . 1 74 74 SER N N 15 113.274 0.3 . 1 . . . . A 74 SER N . 34498 1 790 . 1 . 1 75 75 VAL H H 1 8.711 0.020 . 1 . . . . A 75 VAL H . 34498 1 791 . 1 . 1 75 75 VAL HA H 1 4.735 0.020 . 1 . . . . A 75 VAL HA . 34498 1 792 . 1 . 1 75 75 VAL HB H 1 1.892 0.020 . 1 . . . . A 75 VAL HB . 34498 1 793 . 1 . 1 75 75 VAL HG11 H 1 0.882 0.020 . 1 . . . . A 75 VAL HG11 . 34498 1 794 . 1 . 1 75 75 VAL HG12 H 1 0.882 0.020 . 1 . . . . A 75 VAL HG12 . 34498 1 795 . 1 . 1 75 75 VAL HG13 H 1 0.882 0.020 . 1 . . . . A 75 VAL HG13 . 34498 1 796 . 1 . 1 75 75 VAL HG21 H 1 0.913 0.020 . 1 . . . . A 75 VAL HG21 . 34498 1 797 . 1 . 1 75 75 VAL HG22 H 1 0.913 0.020 . 1 . . . . A 75 VAL HG22 . 34498 1 798 . 1 . 1 75 75 VAL HG23 H 1 0.913 0.020 . 1 . . . . A 75 VAL HG23 . 34498 1 799 . 1 . 1 75 75 VAL C C 13 175.135 0.3 . 1 . . . . A 75 VAL C . 34498 1 800 . 1 . 1 75 75 VAL CA C 13 61.721 0.3 . 1 . . . . A 75 VAL CA . 34498 1 801 . 1 . 1 75 75 VAL CB C 13 33.974 0.3 . 1 . . . . A 75 VAL CB . 34498 1 802 . 1 . 1 75 75 VAL CG1 C 13 22.389 0.3 . 1 . . . . A 75 VAL CG1 . 34498 1 803 . 1 . 1 75 75 VAL CG2 C 13 21.481 0.3 . 1 . . . . A 75 VAL CG2 . 34498 1 804 . 1 . 1 75 75 VAL N N 15 122.866 0.3 . 1 . . . . A 75 VAL N . 34498 1 805 . 1 . 1 76 76 VAL H H 1 8.852 0.020 . 1 . . . . A 76 VAL H . 34498 1 806 . 1 . 1 76 76 VAL HA H 1 4.587 0.020 . 1 . . . . A 76 VAL HA . 34498 1 807 . 1 . 1 76 76 VAL HB H 1 1.910 0.020 . 1 . . . . A 76 VAL HB . 34498 1 808 . 1 . 1 76 76 VAL HG11 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG11 . 34498 1 809 . 1 . 1 76 76 VAL HG12 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG12 . 34498 1 810 . 1 . 1 76 76 VAL HG13 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG13 . 34498 1 811 . 1 . 1 76 76 VAL HG21 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG21 . 34498 1 812 . 1 . 1 76 76 VAL HG22 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG22 . 34498 1 813 . 1 . 1 76 76 VAL HG23 H 1 0.814 0.020 . 1 . . . . A 76 VAL HG23 . 34498 1 814 . 1 . 1 76 76 VAL C C 13 174.099 0.3 . 1 . . . . A 76 VAL C . 34498 1 815 . 1 . 1 76 76 VAL CA C 13 59.791 0.3 . 1 . . . . A 76 VAL CA . 34498 1 816 . 1 . 1 76 76 VAL CB C 13 35.207 0.3 . 1 . . . . A 76 VAL CB . 34498 1 817 . 1 . 1 76 76 VAL CG1 C 13 21.152 0.3 . 1 . . . . A 76 VAL CG1 . 34498 1 818 . 1 . 1 76 76 VAL CG2 C 13 21.156 0.3 . 1 . . . . A 76 VAL CG2 . 34498 1 819 . 1 . 1 76 76 VAL N N 15 125.070 0.3 . 1 . . . . A 76 VAL N . 34498 1 820 . 1 . 1 77 77 THR H H 1 8.454 0.020 . 1 . . . . A 77 THR H . 34498 1 821 . 1 . 1 77 77 THR HA H 1 4.665 0.020 . 1 . . . . A 77 THR HA . 34498 1 822 . 1 . 1 77 77 THR HB H 1 3.669 0.020 . 1 . . . . A 77 THR HB . 34498 1 823 . 1 . 1 77 77 THR HG21 H 1 0.893 0.020 . 1 . . . . A 77 THR HG21 . 34498 1 824 . 1 . 1 77 77 THR HG22 H 1 0.893 0.020 . 1 . . . . A 77 THR HG22 . 34498 1 825 . 1 . 1 77 77 THR HG23 H 1 0.893 0.020 . 1 . . . . A 77 THR HG23 . 34498 1 826 . 1 . 1 77 77 THR C C 13 173.523 0.3 . 1 . . . . A 77 THR C . 34498 1 827 . 1 . 1 77 77 THR CA C 13 61.384 0.3 . 1 . . . . A 77 THR CA . 34498 1 828 . 1 . 1 77 77 THR CB C 13 70.728 0.3 . 1 . . . . A 77 THR CB . 34498 1 829 . 1 . 1 77 77 THR CG2 C 13 21.152 0.3 . 1 . . . . A 77 THR CG2 . 34498 1 830 . 1 . 1 77 77 THR N N 15 120.640 0.3 . 1 . . . . A 77 THR N . 34498 1 831 . 1 . 1 78 78 ASN H H 1 8.665 0.020 . 1 . . . . A 78 ASN H . 34498 1 832 . 1 . 1 78 78 ASN HA H 1 4.545 0.020 . 1 . . . . A 78 ASN HA . 34498 1 833 . 1 . 1 78 78 ASN HB2 H 1 3.520 0.020 . 2 . . . . A 78 ASN HB2 . 34498 1 834 . 1 . 1 78 78 ASN HB3 H 1 2.673 0.020 . 2 . . . . A 78 ASN HB3 . 34498 1 835 . 1 . 1 78 78 ASN C C 13 175.849 0.3 . 1 . . . . A 78 ASN C . 34498 1 836 . 1 . 1 78 78 ASN CA C 13 52.999 0.3 . 1 . . . . A 78 ASN CA . 34498 1 837 . 1 . 1 78 78 ASN CB C 13 38.457 0.3 . 1 . . . . A 78 ASN CB . 34498 1 838 . 1 . 1 78 78 ASN N N 15 126.184 0.3 . 1 . . . . A 78 ASN N . 34498 1 839 . 1 . 1 79 79 GLN H H 1 9.027 0.020 . 1 . . . . A 79 GLN H . 34498 1 840 . 1 . 1 79 79 GLN HA H 1 4.014 0.020 . 1 . . . . A 79 GLN HA . 34498 1 841 . 1 . 1 79 79 GLN HB2 H 1 2.130 0.020 . 2 . . . . A 79 GLN HB2 . 34498 1 842 . 1 . 1 79 79 GLN HB3 H 1 1.955 0.020 . 2 . . . . A 79 GLN HB3 . 34498 1 843 . 1 . 1 79 79 GLN HG2 H 1 2.370 0.020 . 1 . . . . A 79 GLN HG2 . 34498 1 844 . 1 . 1 79 79 GLN HG3 H 1 2.370 0.020 . 1 . . . . A 79 GLN HG3 . 34498 1 845 . 1 . 1 79 79 GLN CA C 13 57.396 0.3 . 1 . . . . A 79 GLN CA . 34498 1 846 . 1 . 1 79 79 GLN CB C 13 28.462 0.3 . 1 . . . . A 79 GLN CB . 34498 1 847 . 1 . 1 79 79 GLN CG C 13 33.805 0.3 . 1 . . . . A 79 GLN CG . 34498 1 848 . 1 . 1 79 79 GLN N N 15 125.389 0.3 . 1 . . . . A 79 GLN N . 34498 1 849 . 1 . 1 80 80 ARG H H 1 8.382 0.020 . 1 . . . . A 80 ARG H . 34498 1 850 . 1 . 1 80 80 ARG HA H 1 4.131 0.020 . 1 . . . . A 80 ARG HA . 34498 1 851 . 1 . 1 80 80 ARG HB2 H 1 1.771 0.020 . 1 . . . . A 80 ARG HB2 . 34498 1 852 . 1 . 1 80 80 ARG HB3 H 1 1.771 0.020 . 1 . . . . A 80 ARG HB3 . 34498 1 853 . 1 . 1 80 80 ARG HG2 H 1 1.586 0.020 . 1 . . . . A 80 ARG HG2 . 34498 1 854 . 1 . 1 80 80 ARG HG3 H 1 1.586 0.020 . 1 . . . . A 80 ARG HG3 . 34498 1 855 . 1 . 1 80 80 ARG HD2 H 1 3.145 0.020 . 1 . . . . A 80 ARG HD2 . 34498 1 856 . 1 . 1 80 80 ARG HD3 H 1 3.145 0.020 . 1 . . . . A 80 ARG HD3 . 34498 1 857 . 1 . 1 80 80 ARG C C 13 177.163 0.3 . 1 . . . . A 80 ARG C . 34498 1 858 . 1 . 1 80 80 ARG CA C 13 57.787 0.3 . 1 . . . . A 80 ARG CA . 34498 1 859 . 1 . 1 80 80 ARG CB C 13 29.717 0.3 . 1 . . . . A 80 ARG CB . 34498 1 860 . 1 . 1 80 80 ARG CG C 13 27.130 0.3 . 1 . . . . A 80 ARG CG . 34498 1 861 . 1 . 1 80 80 ARG CD C 13 42.866 0.3 . 1 . . . . A 80 ARG CD . 34498 1 862 . 1 . 1 80 80 ARG N N 15 117.598 0.3 . 1 . . . . A 80 ARG N . 34498 1 863 . 1 . 1 81 81 ASN H H 1 7.358 0.020 . 1 . . . . A 81 ASN H . 34498 1 864 . 1 . 1 81 81 ASN HA H 1 4.752 0.020 . 1 . . . . A 81 ASN HA . 34498 1 865 . 1 . 1 81 81 ASN HB2 H 1 3.066 0.020 . 2 . . . . A 81 ASN HB2 . 34498 1 866 . 1 . 1 81 81 ASN HB3 H 1 2.570 0.020 . 2 . . . . A 81 ASN HB3 . 34498 1 867 . 1 . 1 81 81 ASN C C 13 176.356 0.3 . 1 . . . . A 81 ASN C . 34498 1 868 . 1 . 1 81 81 ASN CA C 13 51.798 0.3 . 1 . . . . A 81 ASN CA . 34498 1 869 . 1 . 1 81 81 ASN CB C 13 39.135 0.3 . 1 . . . . A 81 ASN CB . 34498 1 870 . 1 . 1 81 81 ASN N N 15 112.459 0.3 . 1 . . . . A 81 ASN N . 34498 1 871 . 1 . 1 82 82 GLY H H 1 8.235 0.020 . 1 . . . . A 82 GLY H . 34498 1 872 . 1 . 1 82 82 GLY HA2 H 1 3.983 0.020 . 2 . . . . A 82 GLY HA2 . 34498 1 873 . 1 . 1 82 82 GLY HA3 H 1 3.681 0.020 . 2 . . . . A 82 GLY HA3 . 34498 1 874 . 1 . 1 82 82 GLY C C 13 174.099 0.3 . 1 . . . . A 82 GLY C . 34498 1 875 . 1 . 1 82 82 GLY CA C 13 45.788 0.3 . 1 . . . . A 82 GLY CA . 34498 1 876 . 1 . 1 82 82 GLY N N 15 109.187 0.3 . 1 . . . . A 82 GLY N . 34498 1 877 . 1 . 1 83 83 LYS H H 1 8.026 0.020 . 1 . . . . A 83 LYS H . 34498 1 878 . 1 . 1 83 83 LYS HA H 1 4.393 0.020 . 1 . . . . A 83 LYS HA . 34498 1 879 . 1 . 1 83 83 LYS HB3 H 1 1.770 0.020 . 1 . . . . A 83 LYS HB3 . 34498 1 880 . 1 . 1 83 83 LYS HG2 H 1 1.289 0.020 . 1 . . . . A 83 LYS HG2 . 34498 1 881 . 1 . 1 83 83 LYS HG3 H 1 1.289 0.020 . 1 . . . . A 83 LYS HG3 . 34498 1 882 . 1 . 1 83 83 LYS HD2 H 1 1.583 0.020 . 1 . . . . A 83 LYS HD2 . 34498 1 883 . 1 . 1 83 83 LYS HD3 H 1 1.583 0.020 . 2 . . . . A 83 LYS HD3 . 34498 1 884 . 1 . 1 83 83 LYS HE2 H 1 2.881 0.020 . 1 . . . . A 83 LYS HE2 . 34498 1 885 . 1 . 1 83 83 LYS HE3 H 1 2.881 0.020 . 1 . . . . A 83 LYS HE3 . 34498 1 886 . 1 . 1 83 83 LYS C C 13 177.439 0.3 . 1 . . . . A 83 LYS C . 34498 1 887 . 1 . 1 83 83 LYS CA C 13 55.949 0.3 . 1 . . . . A 83 LYS CA . 34498 1 888 . 1 . 1 83 83 LYS CB C 13 33.080 0.3 . 1 . . . . A 83 LYS CB . 34498 1 889 . 1 . 1 83 83 LYS CG C 13 24.963 0.3 . 1 . . . . A 83 LYS CG . 34498 1 890 . 1 . 1 83 83 LYS CD C 13 28.853 0.3 . 1 . . . . A 83 LYS CD . 34498 1 891 . 1 . 1 83 83 LYS CE C 13 41.974 0.3 . 1 . . . . A 83 LYS CE . 34498 1 892 . 1 . 1 83 83 LYS N N 15 120.048 0.3 . 1 . . . . A 83 LYS N . 34498 1 893 . 1 . 1 84 84 SER H H 1 8.973 0.020 . 1 . . . . A 84 SER H . 34498 1 894 . 1 . 1 84 84 SER HA H 1 5.604 0.020 . 1 . . . . A 84 SER HA . 34498 1 895 . 1 . 1 84 84 SER HB2 H 1 3.665 0.020 . 1 . . . . A 84 SER HB2 . 34498 1 896 . 1 . 1 84 84 SER HB3 H 1 3.665 0.020 . 1 . . . . A 84 SER HB3 . 34498 1 897 . 1 . 1 84 84 SER C C 13 172.901 0.3 . 1 . . . . A 84 SER C . 34498 1 898 . 1 . 1 84 84 SER CA C 13 58.530 0.3 . 1 . . . . A 84 SER CA . 34498 1 899 . 1 . 1 84 84 SER CB C 13 65.157 0.3 . 1 . . . . A 84 SER CB . 34498 1 900 . 1 . 1 84 84 SER N N 15 120.847 0.3 . 1 . . . . A 84 SER N . 34498 1 901 . 1 . 1 85 85 SER H H 1 8.948 0.020 . 1 . . . . A 85 SER H . 34498 1 902 . 1 . 1 85 85 SER HA H 1 4.665 0.020 . 1 . . . . A 85 SER HA . 34498 1 903 . 1 . 1 85 85 SER HB2 H 1 3.646 0.020 . 1 . . . . A 85 SER HB2 . 34498 1 904 . 1 . 1 85 85 SER HB3 H 1 3.646 0.020 . 1 . . . . A 85 SER HB3 . 34498 1 905 . 1 . 1 85 85 SER C C 13 171.633 0.3 . 1 . . . . A 85 SER C . 34498 1 906 . 1 . 1 85 85 SER CA C 13 57.567 0.3 . 1 . . . . A 85 SER CA . 34498 1 907 . 1 . 1 85 85 SER CB C 13 65.880 0.3 . 1 . . . . A 85 SER CB . 34498 1 908 . 1 . 1 85 85 SER N N 15 116.244 0.3 . 1 . . . . A 85 SER N . 34498 1 909 . 1 . 1 86 86 ALA H H 1 8.351 0.020 . 1 . . . . A 86 ALA H . 34498 1 910 . 1 . 1 86 86 ALA HA H 1 5.362 0.020 . 1 . . . . A 86 ALA HA . 34498 1 911 . 1 . 1 86 86 ALA HB1 H 1 0.891 0.020 . 1 . . . . A 86 ALA HB1 . 34498 1 912 . 1 . 1 86 86 ALA HB2 H 1 0.891 0.020 . 1 . . . . A 86 ALA HB2 . 34498 1 913 . 1 . 1 86 86 ALA HB3 H 1 0.891 0.020 . 1 . . . . A 86 ALA HB3 . 34498 1 914 . 1 . 1 86 86 ALA C C 13 176.172 0.3 . 1 . . . . A 86 ALA C . 34498 1 915 . 1 . 1 86 86 ALA CA C 13 49.917 0.3 . 1 . . . . A 86 ALA CA . 34498 1 916 . 1 . 1 86 86 ALA CB C 13 20.922 0.3 . 1 . . . . A 86 ALA CB . 34498 1 917 . 1 . 1 86 86 ALA N N 15 121.769 0.3 . 1 . . . . A 86 ALA N . 34498 1 918 . 1 . 1 87 87 CYS H H 1 8.969 0.020 . 1 . . . . A 87 CYS H . 34498 1 919 . 1 . 1 87 87 CYS HA H 1 4.919 0.020 . 1 . . . . A 87 CYS HA . 34498 1 920 . 1 . 1 87 87 CYS HB2 H 1 3.089 0.020 . 2 . . . . A 87 CYS HB2 . 34498 1 921 . 1 . 1 87 87 CYS HB3 H 1 2.786 0.020 . 2 . . . . A 87 CYS HB3 . 34498 1 922 . 1 . 1 87 87 CYS C C 13 172.924 0.3 . 1 . . . . A 87 CYS C . 34498 1 923 . 1 . 1 87 87 CYS CA C 13 53.132 0.3 . 1 . . . . A 87 CYS CA . 34498 1 924 . 1 . 1 87 87 CYS CB C 13 44.614 0.3 . 1 . . . . A 87 CYS CB . 34498 1 925 . 1 . 1 87 87 CYS N N 15 116.463 0.3 . 1 . . . . A 87 CYS N . 34498 1 926 . 1 . 1 88 88 ASN H H 1 9.905 0.020 . 1 . . . . A 88 ASN H . 34498 1 927 . 1 . 1 88 88 ASN HA H 1 4.241 0.020 . 1 . . . . A 88 ASN HA . 34498 1 928 . 1 . 1 88 88 ASN HB2 H 1 2.941 0.020 . 2 . . . . A 88 ASN HB2 . 34498 1 929 . 1 . 1 88 88 ASN HB3 H 1 2.651 0.020 . 2 . . . . A 88 ASN HB3 . 34498 1 930 . 1 . 1 88 88 ASN C C 13 173.108 0.3 . 1 . . . . A 88 ASN C . 34498 1 931 . 1 . 1 88 88 ASN CA C 13 53.931 0.3 . 1 . . . . A 88 ASN CA . 34498 1 932 . 1 . 1 88 88 ASN CB C 13 37.148 0.3 . 1 . . . . A 88 ASN CB . 34498 1 933 . 1 . 1 88 88 ASN N N 15 120.801 0.3 . 1 . . . . A 88 ASN N . 34498 1 934 . 1 . 1 89 89 VAL H H 1 7.723 0.020 . 1 . . . . A 89 VAL H . 34498 1 935 . 1 . 1 89 89 VAL HA H 1 4.185 0.020 . 1 . . . . A 89 VAL HA . 34498 1 936 . 1 . 1 89 89 VAL HB H 1 1.456 0.020 . 1 . . . . A 89 VAL HB . 34498 1 937 . 1 . 1 89 89 VAL HG11 H 1 0.090 0.020 . 1 . . . . A 89 VAL HG11 . 34498 1 938 . 1 . 1 89 89 VAL HG12 H 1 0.090 0.020 . 1 . . . . A 89 VAL HG12 . 34498 1 939 . 1 . 1 89 89 VAL HG13 H 1 0.090 0.020 . 1 . . . . A 89 VAL HG13 . 34498 1 940 . 1 . 1 89 89 VAL HG21 H 1 0.135 0.020 . 1 . . . . A 89 VAL HG21 . 34498 1 941 . 1 . 1 89 89 VAL HG22 H 1 0.135 0.020 . 1 . . . . A 89 VAL HG22 . 34498 1 942 . 1 . 1 89 89 VAL HG23 H 1 0.135 0.020 . 1 . . . . A 89 VAL HG23 . 34498 1 943 . 1 . 1 89 89 VAL C C 13 174.421 0.3 . 1 . . . . A 89 VAL C . 34498 1 944 . 1 . 1 89 89 VAL CA C 13 63.033 0.3 . 1 . . . . A 89 VAL CA . 34498 1 945 . 1 . 1 89 89 VAL CB C 13 31.704 0.3 . 1 . . . . A 89 VAL CB . 34498 1 946 . 1 . 1 89 89 VAL CG1 C 13 20.589 0.3 . 1 . . . . A 89 VAL CG1 . 34498 1 947 . 1 . 1 89 89 VAL CG2 C 13 20.338 0.3 . 1 . . . . A 89 VAL CG2 . 34498 1 948 . 1 . 1 89 89 VAL N N 15 119.320 0.3 . 1 . . . . A 89 VAL N . 34498 1 949 . 1 . 1 90 90 LEU H H 1 9.102 0.020 . 1 . . . . A 90 LEU H . 34498 1 950 . 1 . 1 90 90 LEU HA H 1 4.734 0.020 . 1 . . . . A 90 LEU HA . 34498 1 951 . 1 . 1 90 90 LEU HB2 H 1 1.650 0.020 . 2 . . . . A 90 LEU HB2 . 34498 1 952 . 1 . 1 90 90 LEU HB3 H 1 1.246 0.020 . 2 . . . . A 90 LEU HB3 . 34498 1 953 . 1 . 1 90 90 LEU HG H 1 1.303 0.020 . 1 . . . . A 90 LEU HG . 34498 1 954 . 1 . 1 90 90 LEU HD11 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD11 . 34498 1 955 . 1 . 1 90 90 LEU HD12 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD12 . 34498 1 956 . 1 . 1 90 90 LEU HD13 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD13 . 34498 1 957 . 1 . 1 90 90 LEU HD21 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD21 . 34498 1 958 . 1 . 1 90 90 LEU HD22 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD22 . 34498 1 959 . 1 . 1 90 90 LEU HD23 H 1 0.797 0.020 . 1 . . . . A 90 LEU HD23 . 34498 1 960 . 1 . 1 90 90 LEU C C 13 175.366 0.3 . 1 . . . . A 90 LEU C . 34498 1 961 . 1 . 1 90 90 LEU CA C 13 53.242 0.3 . 1 . . . . A 90 LEU CA . 34498 1 962 . 1 . 1 90 90 LEU CB C 13 45.963 0.3 . 1 . . . . A 90 LEU CB . 34498 1 963 . 1 . 1 90 90 LEU CG C 13 25.816 0.3 . 1 . . . . A 90 LEU CG . 34498 1 964 . 1 . 1 90 90 LEU CD1 C 13 24.060 0.3 . 1 . . . . A 90 LEU CD1 . 34498 1 965 . 1 . 1 90 90 LEU CD2 C 13 24.060 0.3 . 1 . . . . A 90 LEU CD2 . 34498 1 966 . 1 . 1 90 90 LEU N N 15 130.209 0.3 . 1 . . . . A 90 LEU N . 34498 1 967 . 1 . 1 91 91 LYS H H 1 8.856 0.020 . 1 . . . . A 91 LYS H . 34498 1 968 . 1 . 1 91 91 LYS HA H 1 4.275 0.020 . 1 . . . . A 91 LYS HA . 34498 1 969 . 1 . 1 91 91 LYS HB2 H 1 1.708 0.020 . 1 . . . . A 91 LYS HB2 . 34498 1 970 . 1 . 1 91 91 LYS HB3 H 1 1.708 0.020 . 1 . . . . A 91 LYS HB3 . 34498 1 971 . 1 . 1 91 91 LYS HG2 H 1 1.249 0.020 . 1 . . . . A 91 LYS HG2 . 34498 1 972 . 1 . 1 91 91 LYS HG3 H 1 1.249 0.020 . 1 . . . . A 91 LYS HG3 . 34498 1 973 . 1 . 1 91 91 LYS HD2 H 1 1.606 0.020 . 2 . . . . A 91 LYS HD2 . 34498 1 974 . 1 . 1 91 91 LYS HD3 H 1 1.504 0.020 . 2 . . . . A 91 LYS HD3 . 34498 1 975 . 1 . 1 91 91 LYS HE2 H 1 2.869 0.020 . 2 . . . . A 91 LYS HE2 . 34498 1 976 . 1 . 1 91 91 LYS HE3 H 1 2.869 0.020 . 2 . . . . A 91 LYS HE3 . 34498 1 977 . 1 . 1 91 91 LYS C C 13 175.780 0.3 . 1 . . . . A 91 LYS C . 34498 1 978 . 1 . 1 91 91 LYS CA C 13 58.059 0.3 . 1 . . . . A 91 LYS CA . 34498 1 979 . 1 . 1 91 91 LYS CB C 13 32.985 0.3 . 1 . . . . A 91 LYS CB . 34498 1 980 . 1 . 1 91 91 LYS CG C 13 25.619 0.3 . 1 . . . . A 91 LYS CG . 34498 1 981 . 1 . 1 91 91 LYS CD C 13 29.865 0.3 . 1 . . . . A 91 LYS CD . 34498 1 982 . 1 . 1 91 91 LYS CE C 13 42.161 0.3 . 1 . . . . A 91 LYS CE . 34498 1 983 . 1 . 1 91 91 LYS N N 15 126.081 0.3 . 1 . . . . A 91 LYS N . 34498 1 984 . 1 . 1 92 92 ILE H H 1 8.492 0.020 . 1 . . . . A 92 ILE H . 34498 1 985 . 1 . 1 92 92 ILE HA H 1 4.238 0.020 . 1 . . . . A 92 ILE HA . 34498 1 986 . 1 . 1 92 92 ILE HB H 1 1.742 0.020 . 1 . . . . A 92 ILE HB . 34498 1 987 . 1 . 1 92 92 ILE HG12 H 1 1.239 0.020 . 2 . . . . A 92 ILE HG12 . 34498 1 988 . 1 . 1 92 92 ILE HG13 H 1 1.026 0.020 . 2 . . . . A 92 ILE HG13 . 34498 1 989 . 1 . 1 92 92 ILE HG21 H 1 0.780 0.020 . 1 . . . . A 92 ILE HG21 . 34498 1 990 . 1 . 1 92 92 ILE HG22 H 1 0.780 0.020 . 1 . . . . A 92 ILE HG22 . 34498 1 991 . 1 . 1 92 92 ILE HG23 H 1 0.780 0.020 . 1 . . . . A 92 ILE HG23 . 34498 1 992 . 1 . 1 92 92 ILE HD11 H 1 0.607 0.020 . 1 . . . . A 92 ILE HD11 . 34498 1 993 . 1 . 1 92 92 ILE HD12 H 1 0.607 0.020 . 1 . . . . A 92 ILE HD12 . 34498 1 994 . 1 . 1 92 92 ILE HD13 H 1 0.607 0.020 . 1 . . . . A 92 ILE HD13 . 34498 1 995 . 1 . 1 92 92 ILE C C 13 175.343 0.3 . 1 . . . . A 92 ILE C . 34498 1 996 . 1 . 1 92 92 ILE CA C 13 58.888 0.3 . 1 . . . . A 92 ILE CA . 34498 1 997 . 1 . 1 92 92 ILE CB C 13 38.111 0.3 . 1 . . . . A 92 ILE CB . 34498 1 998 . 1 . 1 92 92 ILE CG1 C 13 26.539 0.3 . 1 . . . . A 92 ILE CG1 . 34498 1 999 . 1 . 1 92 92 ILE CG2 C 13 17.445 0.3 . 1 . . . . A 92 ILE CG2 . 34498 1 1000 . 1 . 1 92 92 ILE CD1 C 13 10.954 0.3 . 1 . . . . A 92 ILE CD1 . 34498 1 1001 . 1 . 1 92 92 ILE N N 15 126.085 0.3 . 1 . . . . A 92 ILE N . 34498 1 1002 . 1 . 1 93 93 ASN H H 1 8.495 0.020 . 1 . . . . A 93 ASN H . 34498 1 1003 . 1 . 1 93 93 ASN HA H 1 4.726 0.020 . 1 . . . . A 93 ASN HA . 34498 1 1004 . 1 . 1 93 93 ASN HB2 H 1 2.728 0.020 . 2 . . . . A 93 ASN HB2 . 34498 1 1005 . 1 . 1 93 93 ASN HB3 H 1 2.756 0.020 . 2 . . . . A 93 ASN HB3 . 34498 1 1006 . 1 . 1 93 93 ASN C C 13 173.707 0.3 . 1 . . . . A 93 ASN C . 34498 1 1007 . 1 . 1 93 93 ASN CA C 13 53.127 0.3 . 1 . . . . A 93 ASN CA . 34498 1 1008 . 1 . 1 93 93 ASN CB C 13 39.413 0.3 . 1 . . . . A 93 ASN CB . 34498 1 1009 . 1 . 1 93 93 ASN N N 15 122.559 0.3 . 1 . . . . A 93 ASN N . 34498 1 1010 . 1 . 1 94 94 ASP H H 1 7.944 0.020 . 1 . . . . A 94 ASP H . 34498 1 1011 . 1 . 1 94 94 ASP CA C 13 55.868 0.3 . 1 . . . . A 94 ASP CA . 34498 1 1012 . 1 . 1 94 94 ASP CB C 13 41.861 0.3 . 1 . . . . A 94 ASP CB . 34498 1 1013 . 1 . 1 94 94 ASP N N 15 126.174 0.3 . 1 . . . . A 94 ASP N . 34498 1 stop_ save_