data_30693 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30693 _Entry.Title ; EROS3 RDC and NOE Derived Ubiquitin Ensemble ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-04 _Entry.Accession_date 2019-12-04 _Entry.Last_release_date 2019-12-23 _Entry.Original_release_date 2019-12-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30693 stop_ 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 O. Lange O. F. . . 30693 2 N. Lakomek N. A. . . 30693 3 C. Smith C. A. . . 30693 4 C. Griesinger C. . . . 30693 5 B. 'de Groot' B. L. . . 30693 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RDC . 30693 'SIGNALING PROTEIN' . 30693 'UBL conjugation' . 30693 cytoplasm . 30693 nucleus . 30693 'residual dipolar coupling' . 30693 'signalling protein' . 30693 ubiquitin . 30693 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30693 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 30693 '15N chemical shifts' 83 30693 '1H chemical shifts' 570 30693 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-02 . original BMRB . 30693 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6V5D . 30693 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30693 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1126/science.1157092 _Citation.PubMed_ID 18556554 _Citation.Full_citation . _Citation.Title ; Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 320 _Citation.Journal_issue 5882 _Citation.Journal_ASTM SCIEAS _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0038 _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 1471 _Citation.Page_last 1475 _Citation.Year 2008 _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 O. Lange O. F. . . 30693 1 2 N. Lakomek N. A. . . 30693 1 3 C. Fares C. . . . 30693 1 4 G. Schroeder G. F. . . 30693 1 5 K. Walter K. F. . . 30693 1 6 S. Becker S. . . . 30693 1 7 J. Meiler J. . . . 30693 1 8 H. Grubmueller H. . . . 30693 1 9 C. Griesinger C. . . . 30693 1 10 B. 'de Groot' B. L. . . 30693 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 30693 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s10858-019-00288-8 _Citation.PubMed_ID 31838619 _Citation.Full_citation . _Citation.Title ; Enhancing NMR derived ensembles with kinetics on multiple timescales. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JBNME9 _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD 0800 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2019 _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 C. Smith C. A. . . 30693 2 2 A. Mazur A. . . . 30693 2 3 A. Rout A. K. . . 30693 2 4 S. Becker S. . . . 30693 2 5 D. Lee D. . . . 30693 2 6 B. 'de Groot' B. L. . . 30693 2 7 C. Griesinger C. . . . 30693 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30693 _Assembly.ID 1 _Assembly.Name Ubiquitin _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 entity_1 1 $entity_1 A A yes . . . . . . 30693 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30693 _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.831 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30693 1 2 . GLN . 30693 1 3 . ILE . 30693 1 4 . PHE . 30693 1 5 . VAL . 30693 1 6 . LYS . 30693 1 7 . THR . 30693 1 8 . LEU . 30693 1 9 . THR . 30693 1 10 . GLY . 30693 1 11 . LYS . 30693 1 12 . THR . 30693 1 13 . ILE . 30693 1 14 . THR . 30693 1 15 . LEU . 30693 1 16 . GLU . 30693 1 17 . VAL . 30693 1 18 . GLU . 30693 1 19 . PRO . 30693 1 20 . SER . 30693 1 21 . ASP . 30693 1 22 . THR . 30693 1 23 . ILE . 30693 1 24 . GLU . 30693 1 25 . ASN . 30693 1 26 . VAL . 30693 1 27 . LYS . 30693 1 28 . ALA . 30693 1 29 . LYS . 30693 1 30 . ILE . 30693 1 31 . GLN . 30693 1 32 . ASP . 30693 1 33 . LYS . 30693 1 34 . GLU . 30693 1 35 . GLY . 30693 1 36 . ILE . 30693 1 37 . PRO . 30693 1 38 . PRO . 30693 1 39 . ASP . 30693 1 40 . GLN . 30693 1 41 . GLN . 30693 1 42 . ARG . 30693 1 43 . LEU . 30693 1 44 . ILE . 30693 1 45 . PHE . 30693 1 46 . ALA . 30693 1 47 . GLY . 30693 1 48 . LYS . 30693 1 49 . GLN . 30693 1 50 . LEU . 30693 1 51 . GLU . 30693 1 52 . ASP . 30693 1 53 . GLY . 30693 1 54 . ARG . 30693 1 55 . THR . 30693 1 56 . LEU . 30693 1 57 . SER . 30693 1 58 . ASP . 30693 1 59 . TYR . 30693 1 60 . ASN . 30693 1 61 . ILE . 30693 1 62 . GLN . 30693 1 63 . LYS . 30693 1 64 . GLU . 30693 1 65 . SER . 30693 1 66 . THR . 30693 1 67 . LEU . 30693 1 68 . HIS . 30693 1 69 . LEU . 30693 1 70 . VAL . 30693 1 71 . LEU . 30693 1 72 . ARG . 30693 1 73 . LEU . 30693 1 74 . ARG . 30693 1 75 . GLY . 30693 1 76 . GLY . 30693 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 . MET 1 1 30693 1 . GLN 2 2 30693 1 . ILE 3 3 30693 1 . PHE 4 4 30693 1 . VAL 5 5 30693 1 . LYS 6 6 30693 1 . THR 7 7 30693 1 . LEU 8 8 30693 1 . THR 9 9 30693 1 . GLY 10 10 30693 1 . LYS 11 11 30693 1 . THR 12 12 30693 1 . ILE 13 13 30693 1 . THR 14 14 30693 1 . LEU 15 15 30693 1 . GLU 16 16 30693 1 . VAL 17 17 30693 1 . GLU 18 18 30693 1 . PRO 19 19 30693 1 . SER 20 20 30693 1 . ASP 21 21 30693 1 . THR 22 22 30693 1 . ILE 23 23 30693 1 . GLU 24 24 30693 1 . ASN 25 25 30693 1 . VAL 26 26 30693 1 . LYS 27 27 30693 1 . ALA 28 28 30693 1 . LYS 29 29 30693 1 . ILE 30 30 30693 1 . GLN 31 31 30693 1 . ASP 32 32 30693 1 . LYS 33 33 30693 1 . GLU 34 34 30693 1 . GLY 35 35 30693 1 . ILE 36 36 30693 1 . PRO 37 37 30693 1 . PRO 38 38 30693 1 . ASP 39 39 30693 1 . GLN 40 40 30693 1 . GLN 41 41 30693 1 . ARG 42 42 30693 1 . LEU 43 43 30693 1 . ILE 44 44 30693 1 . PHE 45 45 30693 1 . ALA 46 46 30693 1 . GLY 47 47 30693 1 . LYS 48 48 30693 1 . GLN 49 49 30693 1 . LEU 50 50 30693 1 . GLU 51 51 30693 1 . ASP 52 52 30693 1 . GLY 53 53 30693 1 . ARG 54 54 30693 1 . THR 55 55 30693 1 . LEU 56 56 30693 1 . SER 57 57 30693 1 . ASP 58 58 30693 1 . TYR 59 59 30693 1 . ASN 60 60 30693 1 . ILE 61 61 30693 1 . GLN 62 62 30693 1 . LYS 63 63 30693 1 . GLU 64 64 30693 1 . SER 65 65 30693 1 . THR 66 66 30693 1 . LEU 67 67 30693 1 . HIS 68 68 30693 1 . LEU 69 69 30693 1 . VAL 70 70 30693 1 . LEU 71 71 30693 1 . ARG 72 72 30693 1 . LEU 73 73 30693 1 . ARG 74 74 30693 1 . GLY 75 75 30693 1 . GLY 76 76 30693 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 30693 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . UBC . 30693 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 30693 _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 . . . . . . . . . . 30693 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30693 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.9 mM [U-100% 13C; U-100% 15N] Ubiquitin, 90% H2O/10% D2O; 2.5 mg of ubiquitin were dissolved in a 50 mM Na phosphate buffer at pH 6.5. The final ubiquitin concentration varied between 0.75 and 0.9 mM, and 10-20% (v/v) D2O were added for field locking. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ubiquitin '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . . 0.9 . . mM . . . . 30693 1 2 'Na phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 30693 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30693 _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 30693 1 pH 6.5 . pH 30693 1 pressure 1 . atm 30693 1 temperature 308 . K 30693 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30693 _Software.ID 1 _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' . . 30693 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30693 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30693 _Software.ID 2 _Software.Type . _Software.Name GROMACS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lindahl, van der Spoel, Hess, Abraham' . . 30693 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30693 2 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 30693 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _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 30693 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30693 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _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 30693 _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 DRX' . 600 . . . 30693 1 2 NMR_spectrometer_2 Bruker 'AVANCE DRX' . 700 . . . 30693 1 3 NMR_spectrometer_3 Bruker 'AVANCE DRX' . 800 . . . 30693 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 30693 _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 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30693 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30693 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30693 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 30693 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30693 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30693 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30693 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 30693 _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' . . . 30693 1 2 '2D 1H-15N HSQC' . . . 30693 1 3 '2D 1H-15N HSQC' . . . 30693 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 MET HA H 1 4.231 . . 1 . . . . A 1 MET HA . 30693 1 2 . 1 1 1 1 MET HB2 H 1 2.136 . . 1 . . . . A 1 MET HB2 . 30693 1 3 . 1 1 1 1 MET HG2 H 1 2.001 . . 1 . . . . A 1 MET HG2 . 30693 1 4 . 1 1 1 1 MET HG3 H 1 2.541 . . 1 . . . . A 1 MET HG3 . 30693 1 5 . 1 1 1 1 MET HE1 H 1 1.663 . . 1 . . . . A 1 MET HE1 . 30693 1 6 . 1 1 1 1 MET HE2 H 1 1.663 . . 1 . . . . A 1 MET HE2 . 30693 1 7 . 1 1 1 1 MET HE3 H 1 1.663 . . 1 . . . . A 1 MET HE3 . 30693 1 8 . 1 1 1 1 MET C C 13 170.540 . . 1 . . . . A 1 MET C . 30693 1 9 . 1 1 1 1 MET CA C 13 54.509 . . 1 . . . . A 1 MET CA . 30693 1 10 . 1 1 1 1 MET CB C 13 33.291 . . 1 . . . . A 1 MET CB . 30693 1 11 . 1 1 1 1 MET CG C 13 30.827 . . 1 . . . . A 1 MET CG . 30693 1 12 . 1 1 1 1 MET CE C 13 17.860 . . 1 . . . . A 1 MET CE . 30693 1 13 . 1 1 2 2 GLN H H 1 8.923 . . 1 . . . . A 2 GLN H . 30693 1 14 . 1 1 2 2 GLN HA H 1 5.282 . . 1 . . . . A 2 GLN HA . 30693 1 15 . 1 1 2 2 GLN HB2 H 1 1.870 . . 1 . . . . A 2 GLN HB2 . 30693 1 16 . 1 1 2 2 GLN HB3 H 1 1.634 . . 1 . . . . A 2 GLN HB3 . 30693 1 17 . 1 1 2 2 GLN HG2 H 1 1.902 . . 1 . . . . A 2 GLN HG2 . 30693 1 18 . 1 1 2 2 GLN HG3 H 1 2.235 . . 1 . . . . A 2 GLN HG3 . 30693 1 19 . 1 1 2 2 GLN HE21 H 1 7.615 . . 1 . . . . A 2 GLN HE21 . 30693 1 20 . 1 1 2 2 GLN HE22 H 1 6.824 . . 1 . . . . A 2 GLN HE22 . 30693 1 21 . 1 1 2 2 GLN C C 13 175.920 . . 1 . . . . A 2 GLN C . 30693 1 22 . 1 1 2 2 GLN CA C 13 55.030 . . 1 . . . . A 2 GLN CA . 30693 1 23 . 1 1 2 2 GLN CB C 13 30.223 . . 1 . . . . A 2 GLN CB . 30693 1 24 . 1 1 2 2 GLN CG C 13 34.605 . . 1 . . . . A 2 GLN CG . 30693 1 25 . 1 1 2 2 GLN N N 15 123.078 . . 1 . . . . A 2 GLN N . 30693 1 26 . 1 1 2 2 GLN NE2 N 15 112.082 . . 1 . . . . A 2 GLN NE2 . 30693 1 27 . 1 1 3 3 ILE H H 1 8.337 . . 1 . . . . A 3 ILE H . 30693 1 28 . 1 1 3 3 ILE HA H 1 4.170 . . 1 . . . . A 3 ILE HA . 30693 1 29 . 1 1 3 3 ILE HB H 1 1.773 . . 1 . . . . A 3 ILE HB . 30693 1 30 . 1 1 3 3 ILE HG12 H 1 0.849 . . 1 . . . . A 3 ILE HG12 . 30693 1 31 . 1 1 3 3 ILE HG13 H 1 1.070 . . 1 . . . . A 3 ILE HG13 . 30693 1 32 . 1 1 3 3 ILE HG21 H 1 0.632 . . 1 . . . . A 3 ILE HG21 . 30693 1 33 . 1 1 3 3 ILE HG22 H 1 0.632 . . 1 . . . . A 3 ILE HG22 . 30693 1 34 . 1 1 3 3 ILE HG23 H 1 0.632 . . 1 . . . . A 3 ILE HG23 . 30693 1 35 . 1 1 3 3 ILE HD11 H 1 0.597 . . 1 . . . . A 3 ILE HD11 . 30693 1 36 . 1 1 3 3 ILE HD12 H 1 0.597 . . 1 . . . . A 3 ILE HD12 . 30693 1 37 . 1 1 3 3 ILE HD13 H 1 0.597 . . 1 . . . . A 3 ILE HD13 . 30693 1 38 . 1 1 3 3 ILE C C 13 172.450 . . 1 . . . . A 3 ILE C . 30693 1 39 . 1 1 3 3 ILE CA C 13 59.613 . . 1 . . . . A 3 ILE CA . 30693 1 40 . 1 1 3 3 ILE CB C 13 42.092 . . 1 . . . . A 3 ILE CB . 30693 1 41 . 1 1 3 3 ILE CG1 C 13 25.190 . . 1 . . . . A 3 ILE CG1 . 30693 1 42 . 1 1 3 3 ILE CG2 C 13 17.874 . . 1 . . . . A 3 ILE CG2 . 30693 1 43 . 1 1 3 3 ILE CD1 C 13 14.189 . . 1 . . . . A 3 ILE CD1 . 30693 1 44 . 1 1 3 3 ILE N N 15 115.290 . . 1 . . . . A 3 ILE N . 30693 1 45 . 1 1 4 4 PHE H H 1 8.604 . . 1 . . . . A 4 PHE H . 30693 1 46 . 1 1 4 4 PHE HA H 1 5.623 . . 1 . . . . A 4 PHE HA . 30693 1 47 . 1 1 4 4 PHE HB2 H 1 2.870 . . 1 . . . . A 4 PHE HB2 . 30693 1 48 . 1 1 4 4 PHE HB3 H 1 3.051 . . 1 . . . . A 4 PHE HB3 . 30693 1 49 . 1 1 4 4 PHE HD1 H 1 7.074 . . 3 . . . . A 4 PHE HD1 . 30693 1 50 . 1 1 4 4 PHE HD2 H 1 7.074 . . 3 . . . . A 4 PHE HD2 . 30693 1 51 . 1 1 4 4 PHE HE1 H 1 7.245 . . 3 . . . . A 4 PHE HE1 . 30693 1 52 . 1 1 4 4 PHE HE2 H 1 7.245 . . 3 . . . . A 4 PHE HE2 . 30693 1 53 . 1 1 4 4 PHE HZ H 1 7.248 . . 1 . . . . A 4 PHE HZ . 30693 1 54 . 1 1 4 4 PHE C C 13 175.320 . . 1 . . . . A 4 PHE C . 30693 1 55 . 1 1 4 4 PHE CA C 13 55.123 . . 1 . . . . A 4 PHE CA . 30693 1 56 . 1 1 4 4 PHE CB C 13 41.098 . . 1 . . . . A 4 PHE CB . 30693 1 57 . 1 1 4 4 PHE CD1 C 13 132.210 . . 1 . . . . A 4 PHE CD1 . 30693 1 58 . 1 1 4 4 PHE CE1 C 13 131.130 . . 1 . . . . A 4 PHE CE1 . 30693 1 59 . 1 1 4 4 PHE CZ C 13 129.638 . . 1 . . . . A 4 PHE CZ . 30693 1 60 . 1 1 4 4 PHE N N 15 118.632 . . 1 . . . . A 4 PHE N . 30693 1 61 . 1 1 5 5 VAL H H 1 9.306 . . 1 . . . . A 5 VAL H . 30693 1 62 . 1 1 5 5 VAL HA H 1 4.813 . . 1 . . . . A 5 VAL HA . 30693 1 63 . 1 1 5 5 VAL HB H 1 1.909 . . 1 . . . . A 5 VAL HB . 30693 1 64 . 1 1 5 5 VAL HG11 H 1 0.694 . . 1 . . . . A 5 VAL HG11 . 30693 1 65 . 1 1 5 5 VAL HG12 H 1 0.694 . . 1 . . . . A 5 VAL HG12 . 30693 1 66 . 1 1 5 5 VAL HG13 H 1 0.694 . . 1 . . . . A 5 VAL HG13 . 30693 1 67 . 1 1 5 5 VAL HG21 H 1 0.735 . . 1 . . . . A 5 VAL HG21 . 30693 1 68 . 1 1 5 5 VAL HG22 H 1 0.735 . . 1 . . . . A 5 VAL HG22 . 30693 1 69 . 1 1 5 5 VAL HG23 H 1 0.735 . . 1 . . . . A 5 VAL HG23 . 30693 1 70 . 1 1 5 5 VAL C C 13 174.870 . . 1 . . . . A 5 VAL C . 30693 1 71 . 1 1 5 5 VAL CA C 13 60.424 . . 1 . . . . A 5 VAL CA . 30693 1 72 . 1 1 5 5 VAL CB C 13 34.307 . . 1 . . . . A 5 VAL CB . 30693 1 73 . 1 1 5 5 VAL CG1 C 13 22.286 . . 1 . . . . A 5 VAL CG1 . 30693 1 74 . 1 1 5 5 VAL CG2 C 13 20.840 . . 1 . . . . A 5 VAL CG2 . 30693 1 75 . 1 1 5 5 VAL N N 15 121.396 . . 1 . . . . A 5 VAL N . 30693 1 76 . 1 1 6 6 LYS H H 1 8.967 . . 1 . . . . A 6 LYS H . 30693 1 77 . 1 1 6 6 LYS HA H 1 5.297 . . 1 . . . . A 6 LYS HA . 30693 1 78 . 1 1 6 6 LYS HB2 H 1 1.399 . . 1 . . . . A 6 LYS HB2 . 30693 1 79 . 1 1 6 6 LYS HB3 H 1 1.699 . . 1 . . . . A 6 LYS HB3 . 30693 1 80 . 1 1 6 6 LYS HG2 H 1 1.290 . . 1 . . . . A 6 LYS HG2 . 30693 1 81 . 1 1 6 6 LYS HG3 H 1 1.471 . . 1 . . . . A 6 LYS HG3 . 30693 1 82 . 1 1 6 6 LYS HD2 H 1 1.584 . . 2 . . . . A 6 LYS HD2 . 30693 1 83 . 1 1 6 6 LYS HD3 H 1 1.584 . . 2 . . . . A 6 LYS HD3 . 30693 1 84 . 1 1 6 6 LYS HE2 H 1 2.909 . . 2 . . . . A 6 LYS HE2 . 30693 1 85 . 1 1 6 6 LYS HE3 H 1 2.909 . . 2 . . . . A 6 LYS HE3 . 30693 1 86 . 1 1 6 6 LYS C C 13 177.140 . . 1 . . . . A 6 LYS C . 30693 1 87 . 1 1 6 6 LYS CA C 13 54.875 . . 1 . . . . A 6 LYS CA . 30693 1 88 . 1 1 6 6 LYS CB C 13 34.390 . . 1 . . . . A 6 LYS CB . 30693 1 89 . 1 1 6 6 LYS CG C 13 24.907 . . 1 . . . . A 6 LYS CG . 30693 1 90 . 1 1 6 6 LYS CD C 13 29.220 . . 1 . . . . A 6 LYS CD . 30693 1 91 . 1 1 6 6 LYS CE C 13 42.001 . . 1 . . . . A 6 LYS CE . 30693 1 92 . 1 1 6 6 LYS N N 15 127.988 . . 1 . . . . A 6 LYS N . 30693 1 93 . 1 1 7 7 THR H H 1 8.729 . . 1 . . . . A 7 THR H . 30693 1 94 . 1 1 7 7 THR HA H 1 4.968 . . 1 . . . . A 7 THR HA . 30693 1 95 . 1 1 7 7 THR HB H 1 4.808 . . 1 . . . . A 7 THR HB . 30693 1 96 . 1 1 7 7 THR HG21 H 1 1.186 . . 1 . . . . A 7 THR HG21 . 30693 1 97 . 1 1 7 7 THR HG22 H 1 1.186 . . 1 . . . . A 7 THR HG22 . 30693 1 98 . 1 1 7 7 THR HG23 H 1 1.186 . . 1 . . . . A 7 THR HG23 . 30693 1 99 . 1 1 7 7 THR C C 13 176.910 . . 1 . . . . A 7 THR C . 30693 1 100 . 1 1 7 7 THR CA C 13 60.468 . . 1 . . . . A 7 THR CA . 30693 1 101 . 1 1 7 7 THR CB C 13 70.660 . . 1 . . . . A 7 THR CB . 30693 1 102 . 1 1 7 7 THR CG2 C 13 21.471 . . 1 . . . . A 7 THR CG2 . 30693 1 103 . 1 1 7 7 THR N N 15 115.284 . . 1 . . . . A 7 THR N . 30693 1 104 . 1 1 8 8 LEU H H 1 9.064 . . 1 . . . . A 8 LEU H . 30693 1 105 . 1 1 8 8 LEU HA H 1 4.314 . . 1 . . . . A 8 LEU HA . 30693 1 106 . 1 1 8 8 LEU HB2 H 1 1.773 . . 1 . . . . A 8 LEU HB2 . 30693 1 107 . 1 1 8 8 LEU HB3 H 1 1.941 . . 1 . . . . A 8 LEU HB3 . 30693 1 108 . 1 1 8 8 LEU HG H 1 1.889 . . 1 . . . . A 8 LEU HG . 30693 1 109 . 1 1 8 8 LEU HD11 H 1 1.053 . . 1 . . . . A 8 LEU HD11 . 30693 1 110 . 1 1 8 8 LEU HD12 H 1 1.053 . . 1 . . . . A 8 LEU HD12 . 30693 1 111 . 1 1 8 8 LEU HD13 H 1 1.053 . . 1 . . . . A 8 LEU HD13 . 30693 1 112 . 1 1 8 8 LEU HD21 H 1 0.987 . . 1 . . . . A 8 LEU HD21 . 30693 1 113 . 1 1 8 8 LEU HD22 H 1 0.987 . . 1 . . . . A 8 LEU HD22 . 30693 1 114 . 1 1 8 8 LEU HD23 H 1 0.987 . . 1 . . . . A 8 LEU HD23 . 30693 1 115 . 1 1 8 8 LEU C C 13 178.800 . . 1 . . . . A 8 LEU C . 30693 1 116 . 1 1 8 8 LEU CA C 13 57.460 . . 1 . . . . A 8 LEU CA . 30693 1 117 . 1 1 8 8 LEU CB C 13 41.862 . . 1 . . . . A 8 LEU CB . 30693 1 118 . 1 1 8 8 LEU CG C 13 27.393 . . 1 . . . . A 8 LEU CG . 30693 1 119 . 1 1 8 8 LEU CD1 C 13 25.330 . . 1 . . . . A 8 LEU CD1 . 30693 1 120 . 1 1 8 8 LEU CD2 C 13 23.506 . . 1 . . . . A 8 LEU CD2 . 30693 1 121 . 1 1 8 8 LEU N N 15 121.274 . . 1 . . . . A 8 LEU N . 30693 1 122 . 1 1 9 9 THR H H 1 7.646 . . 1 . . . . A 9 THR H . 30693 1 123 . 1 1 9 9 THR HA H 1 4.422 . . 1 . . . . A 9 THR HA . 30693 1 124 . 1 1 9 9 THR HB H 1 4.590 . . 1 . . . . A 9 THR HB . 30693 1 125 . 1 1 9 9 THR HG21 H 1 1.274 . . 1 . . . . A 9 THR HG21 . 30693 1 126 . 1 1 9 9 THR HG22 H 1 1.274 . . 1 . . . . A 9 THR HG22 . 30693 1 127 . 1 1 9 9 THR HG23 H 1 1.274 . . 1 . . . . A 9 THR HG23 . 30693 1 128 . 1 1 9 9 THR C C 13 175.520 . . 1 . . . . A 9 THR C . 30693 1 129 . 1 1 9 9 THR CA C 13 61.440 . . 1 . . . . A 9 THR CA . 30693 1 130 . 1 1 9 9 THR CB C 13 69.149 . . 1 . . . . A 9 THR CB . 30693 1 131 . 1 1 9 9 THR CG2 C 13 21.961 . . 1 . . . . A 9 THR CG2 . 30693 1 132 . 1 1 9 9 THR N N 15 105.854 . . 1 . . . . A 9 THR N . 30693 1 133 . 1 1 10 10 GLY H H 1 7.832 . . 1 . . . . A 10 GLY H . 30693 1 134 . 1 1 10 10 GLY HA2 H 1 3.611 . . 1 . . . . A 10 GLY HA2 . 30693 1 135 . 1 1 10 10 GLY HA3 H 1 4.351 . . 1 . . . . A 10 GLY HA3 . 30693 1 136 . 1 1 10 10 GLY C C 13 174.070 . . 1 . . . . A 10 GLY C . 30693 1 137 . 1 1 10 10 GLY CA C 13 45.387 . . 1 . . . . A 10 GLY CA . 30693 1 138 . 1 1 10 10 GLY N N 15 109.190 . . 1 . . . . A 10 GLY N . 30693 1 139 . 1 1 11 11 LYS H H 1 7.284 . . 1 . . . . A 11 LYS H . 30693 1 140 . 1 1 11 11 LYS HA H 1 4.360 . . 1 . . . . A 11 LYS HA . 30693 1 141 . 1 1 11 11 LYS HB2 H 1 1.710 . . 1 . . . . A 11 LYS HB2 . 30693 1 142 . 1 1 11 11 LYS HB3 H 1 1.798 . . 1 . . . . A 11 LYS HB3 . 30693 1 143 . 1 1 11 11 LYS HG2 H 1 1.252 . . 1 . . . . A 11 LYS HG2 . 30693 1 144 . 1 1 11 11 LYS HG3 H 1 1.414 . . 1 . . . . A 11 LYS HG3 . 30693 1 145 . 1 1 11 11 LYS HD2 H 1 1.634 . . 2 . . . . A 11 LYS HD2 . 30693 1 146 . 1 1 11 11 LYS HD3 H 1 1.634 . . 2 . . . . A 11 LYS HD3 . 30693 1 147 . 1 1 11 11 LYS HE2 H 1 2.919 . . 2 . . . . A 11 LYS HE2 . 30693 1 148 . 1 1 11 11 LYS HE3 H 1 2.919 . . 2 . . . . A 11 LYS HE3 . 30693 1 149 . 1 1 11 11 LYS C C 13 175.940 . . 1 . . . . A 11 LYS C . 30693 1 150 . 1 1 11 11 LYS CA C 13 56.433 . . 1 . . . . A 11 LYS CA . 30693 1 151 . 1 1 11 11 LYS CB C 13 33.379 . . 1 . . . . A 11 LYS CB . 30693 1 152 . 1 1 11 11 LYS CG C 13 25.096 . . 1 . . . . A 11 LYS CG . 30693 1 153 . 1 1 11 11 LYS CD C 13 29.377 . . 1 . . . . A 11 LYS CD . 30693 1 154 . 1 1 11 11 LYS CE C 13 41.869 . . 1 . . . . A 11 LYS CE . 30693 1 155 . 1 1 11 11 LYS N N 15 121.841 . . 1 . . . . A 11 LYS N . 30693 1 156 . 1 1 12 12 THR H H 1 8.603 . . 1 . . . . A 12 THR H . 30693 1 157 . 1 1 12 12 THR HA H 1 5.065 . . 1 . . . . A 12 THR HA . 30693 1 158 . 1 1 12 12 THR HB H 1 3.952 . . 1 . . . . A 12 THR HB . 30693 1 159 . 1 1 12 12 THR HG21 H 1 1.084 . . 1 . . . . A 12 THR HG21 . 30693 1 160 . 1 1 12 12 THR HG22 H 1 1.084 . . 1 . . . . A 12 THR HG22 . 30693 1 161 . 1 1 12 12 THR HG23 H 1 1.084 . . 1 . . . . A 12 THR HG23 . 30693 1 162 . 1 1 12 12 THR C C 13 174.320 . . 1 . . . . A 12 THR C . 30693 1 163 . 1 1 12 12 THR CA C 13 62.281 . . 1 . . . . A 12 THR CA . 30693 1 164 . 1 1 12 12 THR CB C 13 69.831 . . 1 . . . . A 12 THR CB . 30693 1 165 . 1 1 12 12 THR CG2 C 13 21.943 . . 1 . . . . A 12 THR CG2 . 30693 1 166 . 1 1 12 12 THR N N 15 120.502 . . 1 . . . . A 12 THR N . 30693 1 167 . 1 1 13 13 ILE H H 1 9.549 . . 1 . . . . A 13 ILE H . 30693 1 168 . 1 1 13 13 ILE HA H 1 4.520 . . 1 . . . . A 13 ILE HA . 30693 1 169 . 1 1 13 13 ILE HB H 1 1.875 . . 1 . . . . A 13 ILE HB . 30693 1 170 . 1 1 13 13 ILE HG12 H 1 1.102 . . 1 . . . . A 13 ILE HG12 . 30693 1 171 . 1 1 13 13 ILE HG13 H 1 1.451 . . 1 . . . . A 13 ILE HG13 . 30693 1 172 . 1 1 13 13 ILE HG21 H 1 0.885 . . 1 . . . . A 13 ILE HG21 . 30693 1 173 . 1 1 13 13 ILE HG22 H 1 0.885 . . 1 . . . . A 13 ILE HG22 . 30693 1 174 . 1 1 13 13 ILE HG23 H 1 0.885 . . 1 . . . . A 13 ILE HG23 . 30693 1 175 . 1 1 13 13 ILE HD11 H 1 0.731 . . 1 . . . . A 13 ILE HD11 . 30693 1 176 . 1 1 13 13 ILE HD12 H 1 0.731 . . 1 . . . . A 13 ILE HD12 . 30693 1 177 . 1 1 13 13 ILE HD13 H 1 0.731 . . 1 . . . . A 13 ILE HD13 . 30693 1 178 . 1 1 13 13 ILE C C 13 175.220 . . 1 . . . . A 13 ILE C . 30693 1 179 . 1 1 13 13 ILE CA C 13 60.013 . . 1 . . . . A 13 ILE CA . 30693 1 180 . 1 1 13 13 ILE CB C 13 40.799 . . 1 . . . . A 13 ILE CB . 30693 1 181 . 1 1 13 13 ILE CG1 C 13 26.897 . . 1 . . . . A 13 ILE CG1 . 30693 1 182 . 1 1 13 13 ILE CG2 C 13 17.737 . . 1 . . . . A 13 ILE CG2 . 30693 1 183 . 1 1 13 13 ILE CD1 C 13 14.375 . . 1 . . . . A 13 ILE CD1 . 30693 1 184 . 1 1 13 13 ILE N N 15 127.645 . . 1 . . . . A 13 ILE N . 30693 1 185 . 1 1 14 14 THR H H 1 8.704 . . 1 . . . . A 14 THR H . 30693 1 186 . 1 1 14 14 THR HA H 1 4.968 . . 1 . . . . A 14 THR HA . 30693 1 187 . 1 1 14 14 THR HB H 1 4.059 . . 1 . . . . A 14 THR HB . 30693 1 188 . 1 1 14 14 THR HG21 H 1 1.133 . . 1 . . . . A 14 THR HG21 . 30693 1 189 . 1 1 14 14 THR HG22 H 1 1.133 . . 1 . . . . A 14 THR HG22 . 30693 1 190 . 1 1 14 14 THR HG23 H 1 1.133 . . 1 . . . . A 14 THR HG23 . 30693 1 191 . 1 1 14 14 THR C C 13 173.790 . . 1 . . . . A 14 THR C . 30693 1 192 . 1 1 14 14 THR CA C 13 62.036 . . 1 . . . . A 14 THR CA . 30693 1 193 . 1 1 14 14 THR CB C 13 69.606 . . 1 . . . . A 14 THR CB . 30693 1 194 . 1 1 14 14 THR CG2 C 13 21.898 . . 1 . . . . A 14 THR CG2 . 30693 1 195 . 1 1 14 14 THR N N 15 121.661 . . 1 . . . . A 14 THR N . 30693 1 196 . 1 1 15 15 LEU H H 1 8.727 . . 1 . . . . A 15 LEU H . 30693 1 197 . 1 1 15 15 LEU HA H 1 4.763 . . 1 . . . . A 15 LEU HA . 30693 1 198 . 1 1 15 15 LEU HB2 H 1 1.227 . . 1 . . . . A 15 LEU HB2 . 30693 1 199 . 1 1 15 15 LEU HB3 H 1 1.357 . . 1 . . . . A 15 LEU HB3 . 30693 1 200 . 1 1 15 15 LEU HG H 1 1.430 . . 1 . . . . A 15 LEU HG . 30693 1 201 . 1 1 15 15 LEU HD11 H 1 0.712 . . 1 . . . . A 15 LEU HD11 . 30693 1 202 . 1 1 15 15 LEU HD12 H 1 0.712 . . 1 . . . . A 15 LEU HD12 . 30693 1 203 . 1 1 15 15 LEU HD13 H 1 0.712 . . 1 . . . . A 15 LEU HD13 . 30693 1 204 . 1 1 15 15 LEU HD21 H 1 0.767 . . 1 . . . . A 15 LEU HD21 . 30693 1 205 . 1 1 15 15 LEU HD22 H 1 0.767 . . 1 . . . . A 15 LEU HD22 . 30693 1 206 . 1 1 15 15 LEU HD23 H 1 0.767 . . 1 . . . . A 15 LEU HD23 . 30693 1 207 . 1 1 15 15 LEU C C 13 174.670 . . 1 . . . . A 15 LEU C . 30693 1 208 . 1 1 15 15 LEU CA C 13 52.830 . . 1 . . . . A 15 LEU CA . 30693 1 209 . 1 1 15 15 LEU CB C 13 46.908 . . 1 . . . . A 15 LEU CB . 30693 1 210 . 1 1 15 15 LEU CG C 13 26.860 . . 1 . . . . A 15 LEU CG . 30693 1 211 . 1 1 15 15 LEU CD1 C 13 26.931 . . 1 . . . . A 15 LEU CD1 . 30693 1 212 . 1 1 15 15 LEU CD2 C 13 24.165 . . 1 . . . . A 15 LEU CD2 . 30693 1 213 . 1 1 15 15 LEU N N 15 125.136 . . 1 . . . . A 15 LEU N . 30693 1 214 . 1 1 16 16 GLU H H 1 8.132 . . 1 . . . . A 16 GLU H . 30693 1 215 . 1 1 16 16 GLU HA H 1 4.893 . . 1 . . . . A 16 GLU HA . 30693 1 216 . 1 1 16 16 GLU HB2 H 1 1.929 . . 1 . . . . A 16 GLU HB2 . 30693 1 217 . 1 1 16 16 GLU HB3 H 1 1.842 . . 1 . . . . A 16 GLU HB3 . 30693 1 218 . 1 1 16 16 GLU HG2 H 1 2.086 . . 1 . . . . A 16 GLU HG2 . 30693 1 219 . 1 1 16 16 GLU HG3 H 1 2.231 . . 1 . . . . A 16 GLU HG3 . 30693 1 220 . 1 1 16 16 GLU C C 13 175.860 . . 1 . . . . A 16 GLU C . 30693 1 221 . 1 1 16 16 GLU CA C 13 54.990 . . 1 . . . . A 16 GLU CA . 30693 1 222 . 1 1 16 16 GLU CB C 13 29.848 . . 1 . . . . A 16 GLU CB . 30693 1 223 . 1 1 16 16 GLU CG C 13 35.671 . . 1 . . . . A 16 GLU CG . 30693 1 224 . 1 1 16 16 GLU N N 15 122.604 . . 1 . . . . A 16 GLU N . 30693 1 225 . 1 1 17 17 VAL H H 1 8.929 . . 1 . . . . A 17 VAL H . 30693 1 226 . 1 1 17 17 VAL HA H 1 4.705 . . 1 . . . . A 17 VAL HA . 30693 1 227 . 1 1 17 17 VAL HB H 1 2.330 . . 1 . . . . A 17 VAL HB . 30693 1 228 . 1 1 17 17 VAL HG11 H 1 0.716 . . 1 . . . . A 17 VAL HG11 . 30693 1 229 . 1 1 17 17 VAL HG12 H 1 0.716 . . 1 . . . . A 17 VAL HG12 . 30693 1 230 . 1 1 17 17 VAL HG13 H 1 0.716 . . 1 . . . . A 17 VAL HG13 . 30693 1 231 . 1 1 17 17 VAL HG21 H 1 0.441 . . 1 . . . . A 17 VAL HG21 . 30693 1 232 . 1 1 17 17 VAL HG22 H 1 0.441 . . 1 . . . . A 17 VAL HG22 . 30693 1 233 . 1 1 17 17 VAL HG23 H 1 0.441 . . 1 . . . . A 17 VAL HG23 . 30693 1 234 . 1 1 17 17 VAL C C 13 174.160 . . 1 . . . . A 17 VAL C . 30693 1 235 . 1 1 17 17 VAL CA C 13 58.430 . . 1 . . . . A 17 VAL CA . 30693 1 236 . 1 1 17 17 VAL CB C 13 36.081 . . 1 . . . . A 17 VAL CB . 30693 1 237 . 1 1 17 17 VAL CG1 C 13 22.235 . . 1 . . . . A 17 VAL CG1 . 30693 1 238 . 1 1 17 17 VAL CG2 C 13 19.479 . . 1 . . . . A 17 VAL CG2 . 30693 1 239 . 1 1 17 17 VAL N N 15 117.583 . . 1 . . . . A 17 VAL N . 30693 1 240 . 1 1 18 18 GLU H H 1 8.705 . . 1 . . . . A 18 GLU H . 30693 1 241 . 1 1 18 18 GLU HA H 1 5.068 . . 1 . . . . A 18 GLU HA . 30693 1 242 . 1 1 18 18 GLU HB2 H 1 1.615 . . 1 . . . . A 18 GLU HB2 . 30693 1 243 . 1 1 18 18 GLU HB3 H 1 2.147 . . 1 . . . . A 18 GLU HB3 . 30693 1 244 . 1 1 18 18 GLU HG2 H 1 2.230 . . 1 . . . . A 18 GLU HG2 . 30693 1 245 . 1 1 18 18 GLU HG3 H 1 2.343 . . 1 . . . . A 18 GLU HG3 . 30693 1 246 . 1 1 18 18 GLU C C 13 176.160 . . 1 . . . . A 18 GLU C . 30693 1 247 . 1 1 18 18 GLU CA C 13 52.797 . . 1 . . . . A 18 GLU CA . 30693 1 248 . 1 1 18 18 GLU CB C 13 30.876 . . 1 . . . . A 18 GLU CB . 30693 1 249 . 1 1 18 18 GLU CG C 13 35.242 . . 1 . . . . A 18 GLU CG . 30693 1 250 . 1 1 18 18 GLU N N 15 119.527 . . 1 . . . . A 18 GLU N . 30693 1 251 . 1 1 19 19 PRO HA H 1 4.136 . . 1 . . . . A 19 PRO HA . 30693 1 252 . 1 1 19 19 PRO HB2 H 1 1.999 . . 1 . . . . A 19 PRO HB2 . 30693 1 253 . 1 1 19 19 PRO HB3 H 1 2.435 . . 1 . . . . A 19 PRO HB3 . 30693 1 254 . 1 1 19 19 PRO HG2 H 1 2.070 . . 1 . . . . A 19 PRO HG2 . 30693 1 255 . 1 1 19 19 PRO HG3 H 1 2.217 . . 1 . . . . A 19 PRO HG3 . 30693 1 256 . 1 1 19 19 PRO HD2 H 1 3.805 . . 1 . . . . A 19 PRO HD2 . 30693 1 257 . 1 1 19 19 PRO HD3 H 1 4.006 . . 1 . . . . A 19 PRO HD3 . 30693 1 258 . 1 1 19 19 PRO C C 13 175.310 . . 1 . . . . A 19 PRO C . 30693 1 259 . 1 1 19 19 PRO CA C 13 65.320 . . 1 . . . . A 19 PRO CA . 30693 1 260 . 1 1 19 19 PRO CB C 13 31.810 . . 1 . . . . A 19 PRO CB . 30693 1 261 . 1 1 19 19 PRO CG C 13 28.086 . . 1 . . . . A 19 PRO CG . 30693 1 262 . 1 1 19 19 PRO CD C 13 50.427 . . 1 . . . . A 19 PRO CD . 30693 1 263 . 1 1 19 19 PRO N N 15 133.780 . . 1 . . . . A 19 PRO N . 30693 1 264 . 1 1 20 20 SER H H 1 7.043 . . 1 . . . . A 20 SER H . 30693 1 265 . 1 1 20 20 SER HA H 1 4.370 . . 1 . . . . A 20 SER HA . 30693 1 266 . 1 1 20 20 SER HB2 H 1 3.799 . . 1 . . . . A 20 SER HB2 . 30693 1 267 . 1 1 20 20 SER HB3 H 1 4.159 . . 1 . . . . A 20 SER HB3 . 30693 1 268 . 1 1 20 20 SER C C 13 174.660 . . 1 . . . . A 20 SER C . 30693 1 269 . 1 1 20 20 SER CA C 13 57.241 . . 1 . . . . A 20 SER CA . 30693 1 270 . 1 1 20 20 SER CB C 13 63.397 . . 1 . . . . A 20 SER CB . 30693 1 271 . 1 1 20 20 SER N N 15 103.545 . . 1 . . . . A 20 SER N . 30693 1 272 . 1 1 21 21 ASP H H 1 8.056 . . 1 . . . . A 21 ASP H . 30693 1 273 . 1 1 21 21 ASP HA H 1 4.689 . . 1 . . . . A 21 ASP HA . 30693 1 274 . 1 1 21 21 ASP HB2 H 1 2.512 . . 1 . . . . A 21 ASP HB2 . 30693 1 275 . 1 1 21 21 ASP HB3 H 1 2.953 . . 1 . . . . A 21 ASP HB3 . 30693 1 276 . 1 1 21 21 ASP C C 13 176.360 . . 1 . . . . A 21 ASP C . 30693 1 277 . 1 1 21 21 ASP CA C 13 55.858 . . 1 . . . . A 21 ASP CA . 30693 1 278 . 1 1 21 21 ASP CB C 13 40.866 . . 1 . . . . A 21 ASP CB . 30693 1 279 . 1 1 21 21 ASP N N 15 123.837 . . 1 . . . . A 21 ASP N . 30693 1 280 . 1 1 22 22 THR H H 1 7.854 . . 1 . . . . A 22 THR H . 30693 1 281 . 1 1 22 22 THR HA H 1 4.914 . . 1 . . . . A 22 THR HA . 30693 1 282 . 1 1 22 22 THR HB H 1 4.804 . . 1 . . . . A 22 THR HB . 30693 1 283 . 1 1 22 22 THR HG21 H 1 1.269 . . 1 . . . . A 22 THR HG21 . 30693 1 284 . 1 1 22 22 THR HG22 H 1 1.269 . . 1 . . . . A 22 THR HG22 . 30693 1 285 . 1 1 22 22 THR HG23 H 1 1.269 . . 1 . . . . A 22 THR HG23 . 30693 1 286 . 1 1 22 22 THR C C 13 176.750 . . 1 . . . . A 22 THR C . 30693 1 287 . 1 1 22 22 THR CA C 13 59.607 . . 1 . . . . A 22 THR CA . 30693 1 288 . 1 1 22 22 THR CB C 13 70.984 . . 1 . . . . A 22 THR CB . 30693 1 289 . 1 1 22 22 THR CG2 C 13 22.190 . . 1 . . . . A 22 THR CG2 . 30693 1 290 . 1 1 22 22 THR N N 15 108.878 . . 1 . . . . A 22 THR N . 30693 1 291 . 1 1 23 23 ILE H H 1 8.533 . . 1 . . . . A 23 ILE H . 30693 1 292 . 1 1 23 23 ILE HA H 1 3.641 . . 1 . . . . A 23 ILE HA . 30693 1 293 . 1 1 23 23 ILE HB H 1 2.497 . . 1 . . . . A 23 ILE HB . 30693 1 294 . 1 1 23 23 ILE HG12 H 1 1.298 . . 1 . . . . A 23 ILE HG12 . 30693 1 295 . 1 1 23 23 ILE HG13 H 1 1.899 . . 1 . . . . A 23 ILE HG13 . 30693 1 296 . 1 1 23 23 ILE HG21 H 1 0.791 . . 1 . . . . A 23 ILE HG21 . 30693 1 297 . 1 1 23 23 ILE HG22 H 1 0.791 . . 1 . . . . A 23 ILE HG22 . 30693 1 298 . 1 1 23 23 ILE HG23 H 1 0.791 . . 1 . . . . A 23 ILE HG23 . 30693 1 299 . 1 1 23 23 ILE HD11 H 1 0.584 . . 1 . . . . A 23 ILE HD11 . 30693 1 300 . 1 1 23 23 ILE HD12 H 1 0.584 . . 1 . . . . A 23 ILE HD12 . 30693 1 301 . 1 1 23 23 ILE HD13 H 1 0.584 . . 1 . . . . A 23 ILE HD13 . 30693 1 302 . 1 1 23 23 ILE C C 13 179.040 . . 1 . . . . A 23 ILE C . 30693 1 303 . 1 1 23 23 ILE CA C 13 62.409 . . 1 . . . . A 23 ILE CA . 30693 1 304 . 1 1 23 23 ILE CB C 13 34.564 . . 1 . . . . A 23 ILE CB . 30693 1 305 . 1 1 23 23 ILE CG1 C 13 27.857 . . 1 . . . . A 23 ILE CG1 . 30693 1 306 . 1 1 23 23 ILE CG2 C 13 18.134 . . 1 . . . . A 23 ILE CG2 . 30693 1 307 . 1 1 23 23 ILE CD1 C 13 9.381 . . 1 . . . . A 23 ILE CD1 . 30693 1 308 . 1 1 23 23 ILE N N 15 121.366 . . 1 . . . . A 23 ILE N . 30693 1 309 . 1 1 24 24 GLU H H 1 10.011 . . 1 . . . . A 24 GLU H . 30693 1 310 . 1 1 24 24 GLU HA H 1 3.893 . . 1 . . . . A 24 GLU HA . 30693 1 311 . 1 1 24 24 GLU HB2 H 1 2.038 . . 2 . . . . A 24 GLU HB2 . 30693 1 312 . 1 1 24 24 GLU HB3 H 1 2.038 . . 2 . . . . A 24 GLU HB3 . 30693 1 313 . 1 1 24 24 GLU HG2 H 1 2.373 . . 2 . . . . A 24 GLU HG2 . 30693 1 314 . 1 1 24 24 GLU HG3 H 1 2.373 . . 2 . . . . A 24 GLU HG3 . 30693 1 315 . 1 1 24 24 GLU C C 13 178.640 . . 1 . . . . A 24 GLU C . 30693 1 316 . 1 1 24 24 GLU CA C 13 60.629 . . 1 . . . . A 24 GLU CA . 30693 1 317 . 1 1 24 24 GLU CB C 13 28.788 . . 1 . . . . A 24 GLU CB . 30693 1 318 . 1 1 24 24 GLU CG C 13 36.256 . . 1 . . . . A 24 GLU CG . 30693 1 319 . 1 1 24 24 GLU N N 15 121.154 . . 1 . . . . A 24 GLU N . 30693 1 320 . 1 1 25 25 ASN H H 1 7.925 . . 1 . . . . A 25 ASN H . 30693 1 321 . 1 1 25 25 ASN HA H 1 4.549 . . 1 . . . . A 25 ASN HA . 30693 1 322 . 1 1 25 25 ASN HB2 H 1 2.861 . . 1 . . . . A 25 ASN HB2 . 30693 1 323 . 1 1 25 25 ASN HB3 H 1 3.219 . . 1 . . . . A 25 ASN HB3 . 30693 1 324 . 1 1 25 25 ASN HD21 H 1 7.855 . . 1 . . . . A 25 ASN HD21 . 30693 1 325 . 1 1 25 25 ASN HD22 H 1 6.867 . . 1 . . . . A 25 ASN HD22 . 30693 1 326 . 1 1 25 25 ASN C C 13 178.380 . . 1 . . . . A 25 ASN C . 30693 1 327 . 1 1 25 25 ASN CA C 13 55.822 . . 1 . . . . A 25 ASN CA . 30693 1 328 . 1 1 25 25 ASN CB C 13 38.343 . . 1 . . . . A 25 ASN CB . 30693 1 329 . 1 1 25 25 ASN N N 15 121.264 . . 1 . . . . A 25 ASN N . 30693 1 330 . 1 1 25 25 ASN ND2 N 15 109.813 . . 1 . . . . A 25 ASN ND2 . 30693 1 331 . 1 1 26 26 VAL H H 1 8.095 . . 1 . . . . A 26 VAL H . 30693 1 332 . 1 1 26 26 VAL HA H 1 3.397 . . 1 . . . . A 26 VAL HA . 30693 1 333 . 1 1 26 26 VAL HB H 1 2.351 . . 1 . . . . A 26 VAL HB . 30693 1 334 . 1 1 26 26 VAL HG11 H 1 0.703 . . 1 . . . . A 26 VAL HG11 . 30693 1 335 . 1 1 26 26 VAL HG12 H 1 0.703 . . 1 . . . . A 26 VAL HG12 . 30693 1 336 . 1 1 26 26 VAL HG13 H 1 0.703 . . 1 . . . . A 26 VAL HG13 . 30693 1 337 . 1 1 26 26 VAL HG21 H 1 0.986 . . 1 . . . . A 26 VAL HG21 . 30693 1 338 . 1 1 26 26 VAL HG22 H 1 0.986 . . 1 . . . . A 26 VAL HG22 . 30693 1 339 . 1 1 26 26 VAL HG23 H 1 0.986 . . 1 . . . . A 26 VAL HG23 . 30693 1 340 . 1 1 26 26 VAL C C 13 177.950 . . 1 . . . . A 26 VAL C . 30693 1 341 . 1 1 26 26 VAL CA C 13 67.640 . . 1 . . . . A 26 VAL CA . 30693 1 342 . 1 1 26 26 VAL CB C 13 30.744 . . 1 . . . . A 26 VAL CB . 30693 1 343 . 1 1 26 26 VAL CG1 C 13 21.487 . . 1 . . . . A 26 VAL CG1 . 30693 1 344 . 1 1 26 26 VAL CG2 C 13 23.785 . . 1 . . . . A 26 VAL CG2 . 30693 1 345 . 1 1 26 26 VAL N N 15 122.147 . . 1 . . . . A 26 VAL N . 30693 1 346 . 1 1 27 27 LYS H H 1 8.551 . . 1 . . . . A 27 LYS H . 30693 1 347 . 1 1 27 27 LYS HA H 1 4.585 . . 1 . . . . A 27 LYS HA . 30693 1 348 . 1 1 27 27 LYS HB2 H 1 1.450 . . 1 . . . . A 27 LYS HB2 . 30693 1 349 . 1 1 27 27 LYS HB3 H 1 2.005 . . 1 . . . . A 27 LYS HB3 . 30693 1 350 . 1 1 27 27 LYS HG2 H 1 1.424 . . 2 . . . . A 27 LYS HG2 . 30693 1 351 . 1 1 27 27 LYS HG3 H 1 1.424 . . 2 . . . . A 27 LYS HG3 . 30693 1 352 . 1 1 27 27 LYS HD2 H 1 1.674 . . 2 . . . . A 27 LYS HD2 . 30693 1 353 . 1 1 27 27 LYS HD3 H 1 1.674 . . 2 . . . . A 27 LYS HD3 . 30693 1 354 . 1 1 27 27 LYS HE2 H 1 2.648 . . 2 . . . . A 27 LYS HE2 . 30693 1 355 . 1 1 27 27 LYS HE3 H 1 2.648 . . 2 . . . . A 27 LYS HE3 . 30693 1 356 . 1 1 27 27 LYS C C 13 180.550 . . 1 . . . . A 27 LYS C . 30693 1 357 . 1 1 27 27 LYS CA C 13 59.167 . . 1 . . . . A 27 LYS CA . 30693 1 358 . 1 1 27 27 LYS CB C 13 33.768 . . 1 . . . . A 27 LYS CB . 30693 1 359 . 1 1 27 27 LYS CG C 13 26.078 . . 1 . . . . A 27 LYS CG . 30693 1 360 . 1 1 27 27 LYS CD C 13 30.501 . . 1 . . . . A 27 LYS CD . 30693 1 361 . 1 1 27 27 LYS CE C 13 42.390 . . 1 . . . . A 27 LYS CE . 30693 1 362 . 1 1 27 27 LYS N N 15 118.922 . . 1 . . . . A 27 LYS N . 30693 1 363 . 1 1 28 28 ALA H H 1 7.994 . . 1 . . . . A 28 ALA H . 30693 1 364 . 1 1 28 28 ALA HA H 1 4.160 . . 1 . . . . A 28 ALA HA . 30693 1 365 . 1 1 28 28 ALA HB1 H 1 1.636 . . 1 . . . . A 28 ALA HB1 . 30693 1 366 . 1 1 28 28 ALA HB2 H 1 1.636 . . 1 . . . . A 28 ALA HB2 . 30693 1 367 . 1 1 28 28 ALA HB3 H 1 1.636 . . 1 . . . . A 28 ALA HB3 . 30693 1 368 . 1 1 28 28 ALA C C 13 180.300 . . 1 . . . . A 28 ALA C . 30693 1 369 . 1 1 28 28 ALA CA C 13 55.324 . . 1 . . . . A 28 ALA CA . 30693 1 370 . 1 1 28 28 ALA CB C 13 17.710 . . 1 . . . . A 28 ALA CB . 30693 1 371 . 1 1 28 28 ALA N N 15 123.330 . . 1 . . . . A 28 ALA N . 30693 1 372 . 1 1 29 29 LYS H H 1 7.879 . . 1 . . . . A 29 LYS H . 30693 1 373 . 1 1 29 29 LYS HA H 1 4.203 . . 1 . . . . A 29 LYS HA . 30693 1 374 . 1 1 29 29 LYS HB2 H 1 1.943 . . 1 . . . . A 29 LYS HB2 . 30693 1 375 . 1 1 29 29 LYS HB3 H 1 2.143 . . 1 . . . . A 29 LYS HB3 . 30693 1 376 . 1 1 29 29 LYS HG2 H 1 1.624 . . 1 . . . . A 29 LYS HG2 . 30693 1 377 . 1 1 29 29 LYS HG3 H 1 1.797 . . 1 . . . . A 29 LYS HG3 . 30693 1 378 . 1 1 29 29 LYS HD2 H 1 1.470 . . 1 . . . . A 29 LYS HD2 . 30693 1 379 . 1 1 29 29 LYS HD3 H 1 1.807 . . 1 . . . . A 29 LYS HD3 . 30693 1 380 . 1 1 29 29 LYS HE2 H 1 2.990 . . 1 . . . . A 29 LYS HE2 . 30693 1 381 . 1 1 29 29 LYS HE3 H 1 3.185 . . 1 . . . . A 29 LYS HE3 . 30693 1 382 . 1 1 29 29 LYS C C 13 180.320 . . 1 . . . . A 29 LYS C . 30693 1 383 . 1 1 29 29 LYS CA C 13 59.725 . . 1 . . . . A 29 LYS CA . 30693 1 384 . 1 1 29 29 LYS CB C 13 33.113 . . 1 . . . . A 29 LYS CB . 30693 1 385 . 1 1 29 29 LYS CG C 13 26.470 . . 1 . . . . A 29 LYS CG . 30693 1 386 . 1 1 29 29 LYS CD C 13 30.149 . . 1 . . . . A 29 LYS CD . 30693 1 387 . 1 1 29 29 LYS CE C 13 42.442 . . 1 . . . . A 29 LYS CE . 30693 1 388 . 1 1 29 29 LYS N N 15 120.209 . . 1 . . . . A 29 LYS N . 30693 1 389 . 1 1 30 30 ILE H H 1 8.282 . . 1 . . . . A 30 ILE H . 30693 1 390 . 1 1 30 30 ILE HA H 1 3.507 . . 1 . . . . A 30 ILE HA . 30693 1 391 . 1 1 30 30 ILE HB H 1 2.347 . . 1 . . . . A 30 ILE HB . 30693 1 392 . 1 1 30 30 ILE HG12 H 1 0.691 . . 1 . . . . A 30 ILE HG12 . 30693 1 393 . 1 1 30 30 ILE HG13 H 1 2.001 . . 1 . . . . A 30 ILE HG13 . 30693 1 394 . 1 1 30 30 ILE HG21 H 1 0.710 . . 1 . . . . A 30 ILE HG21 . 30693 1 395 . 1 1 30 30 ILE HG22 H 1 0.710 . . 1 . . . . A 30 ILE HG22 . 30693 1 396 . 1 1 30 30 ILE HG23 H 1 0.710 . . 1 . . . . A 30 ILE HG23 . 30693 1 397 . 1 1 30 30 ILE HD11 H 1 0.889 . . 1 . . . . A 30 ILE HD11 . 30693 1 398 . 1 1 30 30 ILE HD12 H 1 0.889 . . 1 . . . . A 30 ILE HD12 . 30693 1 399 . 1 1 30 30 ILE HD13 H 1 0.889 . . 1 . . . . A 30 ILE HD13 . 30693 1 400 . 1 1 30 30 ILE C C 13 178.310 . . 1 . . . . A 30 ILE C . 30693 1 401 . 1 1 30 30 ILE CA C 13 66.130 . . 1 . . . . A 30 ILE CA . 30693 1 402 . 1 1 30 30 ILE CB C 13 36.506 . . 1 . . . . A 30 ILE CB . 30693 1 403 . 1 1 30 30 ILE CG1 C 13 31.064 . . 1 . . . . A 30 ILE CG1 . 30693 1 404 . 1 1 30 30 ILE CG2 C 13 17.100 . . 1 . . . . A 30 ILE CG2 . 30693 1 405 . 1 1 30 30 ILE CD1 C 13 15.060 . . 1 . . . . A 30 ILE CD1 . 30693 1 406 . 1 1 30 30 ILE N N 15 121.269 . . 1 . . . . A 30 ILE N . 30693 1 407 . 1 1 31 31 GLN H H 1 8.552 . . 1 . . . . A 31 GLN H . 30693 1 408 . 1 1 31 31 GLN HA H 1 3.827 . . 1 . . . . A 31 GLN HA . 30693 1 409 . 1 1 31 31 GLN HB2 H 1 2.494 . . 1 . . . . A 31 GLN HB2 . 30693 1 410 . 1 1 31 31 GLN HB3 H 1 1.972 . . 1 . . . . A 31 GLN HB3 . 30693 1 411 . 1 1 31 31 GLN HG2 H 1 2.282 . . 1 . . . . A 31 GLN HG2 . 30693 1 412 . 1 1 31 31 GLN HG3 H 1 1.944 . . 1 . . . . A 31 GLN HG3 . 30693 1 413 . 1 1 31 31 GLN HE21 H 1 7.621 . . 1 . . . . A 31 GLN HE21 . 30693 1 414 . 1 1 31 31 GLN HE22 H 1 6.795 . . 1 . . . . A 31 GLN HE22 . 30693 1 415 . 1 1 31 31 GLN C C 13 178.890 . . 1 . . . . A 31 GLN C . 30693 1 416 . 1 1 31 31 GLN CA C 13 60.006 . . 1 . . . . A 31 GLN CA . 30693 1 417 . 1 1 31 31 GLN CB C 13 27.713 . . 1 . . . . A 31 GLN CB . 30693 1 418 . 1 1 31 31 GLN CG C 13 33.730 . . 1 . . . . A 31 GLN CG . 30693 1 419 . 1 1 31 31 GLN N N 15 123.509 . . 1 . . . . A 31 GLN N . 30693 1 420 . 1 1 31 31 GLN NE2 N 15 109.900 . . 1 . . . . A 31 GLN NE2 . 30693 1 421 . 1 1 32 32 ASP H H 1 8.026 . . 1 . . . . A 32 ASP H . 30693 1 422 . 1 1 32 32 ASP HA H 1 4.343 . . 1 . . . . A 32 ASP HA . 30693 1 423 . 1 1 32 32 ASP HB2 H 1 2.763 . . 1 . . . . A 32 ASP HB2 . 30693 1 424 . 1 1 32 32 ASP HB3 H 1 2.848 . . 1 . . . . A 32 ASP HB3 . 30693 1 425 . 1 1 32 32 ASP C C 13 177.250 . . 1 . . . . A 32 ASP C . 30693 1 426 . 1 1 32 32 ASP CA C 13 57.317 . . 1 . . . . A 32 ASP CA . 30693 1 427 . 1 1 32 32 ASP CB C 13 41.109 . . 1 . . . . A 32 ASP CB . 30693 1 428 . 1 1 32 32 ASP N N 15 119.794 . . 1 . . . . A 32 ASP N . 30693 1 429 . 1 1 33 33 LYS H H 1 7.478 . . 1 . . . . A 33 LYS H . 30693 1 430 . 1 1 33 33 LYS HA H 1 4.318 . . 1 . . . . A 33 LYS HA . 30693 1 431 . 1 1 33 33 LYS HB2 H 1 2.017 . . 1 . . . . A 33 LYS HB2 . 30693 1 432 . 1 1 33 33 LYS HB3 H 1 1.854 . . 1 . . . . A 33 LYS HB3 . 30693 1 433 . 1 1 33 33 LYS HG2 H 1 1.608 . . 2 . . . . A 33 LYS HG2 . 30693 1 434 . 1 1 33 33 LYS HG3 H 1 1.608 . . 2 . . . . A 33 LYS HG3 . 30693 1 435 . 1 1 33 33 LYS HD2 H 1 1.718 . . 2 . . . . A 33 LYS HD2 . 30693 1 436 . 1 1 33 33 LYS HD3 H 1 1.718 . . 2 . . . . A 33 LYS HD3 . 30693 1 437 . 1 1 33 33 LYS HE2 H 1 3.134 . . 2 . . . . A 33 LYS HE2 . 30693 1 438 . 1 1 33 33 LYS HE3 H 1 3.134 . . 2 . . . . A 33 LYS HE3 . 30693 1 439 . 1 1 33 33 LYS C C 13 177.870 . . 1 . . . . A 33 LYS C . 30693 1 440 . 1 1 33 33 LYS CA C 13 58.155 . . 1 . . . . A 33 LYS CA . 30693 1 441 . 1 1 33 33 LYS CB C 13 34.037 . . 1 . . . . A 33 LYS CB . 30693 1 442 . 1 1 33 33 LYS CG C 13 25.256 . . 1 . . . . A 33 LYS CG . 30693 1 443 . 1 1 33 33 LYS CD C 13 28.903 . . 1 . . . . A 33 LYS CD . 30693 1 444 . 1 1 33 33 LYS CE C 13 42.310 . . 1 . . . . A 33 LYS CE . 30693 1 445 . 1 1 33 33 LYS N N 15 115.550 . . 1 . . . . A 33 LYS N . 30693 1 446 . 1 1 34 34 GLU H H 1 8.722 . . 1 . . . . A 34 GLU H . 30693 1 447 . 1 1 34 34 GLU HA H 1 4.582 . . 1 . . . . A 34 GLU HA . 30693 1 448 . 1 1 34 34 GLU HB2 H 1 1.686 . . 1 . . . . A 34 GLU HB2 . 30693 1 449 . 1 1 34 34 GLU HB3 H 1 2.265 . . 1 . . . . A 34 GLU HB3 . 30693 1 450 . 1 1 34 34 GLU HG2 H 1 2.161 . . 1 . . . . A 34 GLU HG2 . 30693 1 451 . 1 1 34 34 GLU HG3 H 1 2.076 . . 1 . . . . A 34 GLU HG3 . 30693 1 452 . 1 1 34 34 GLU C C 13 177.840 . . 1 . . . . A 34 GLU C . 30693 1 453 . 1 1 34 34 GLU CA C 13 55.425 . . 1 . . . . A 34 GLU CA . 30693 1 454 . 1 1 34 34 GLU CB C 13 33.214 . . 1 . . . . A 34 GLU CB . 30693 1 455 . 1 1 34 34 GLU CG C 13 36.360 . . 1 . . . . A 34 GLU CG . 30693 1 456 . 1 1 34 34 GLU N N 15 114.365 . . 1 . . . . A 34 GLU N . 30693 1 457 . 1 1 35 35 GLY H H 1 8.488 . . 1 . . . . A 35 GLY H . 30693 1 458 . 1 1 35 35 GLY HA2 H 1 3.923 . . 1 . . . . A 35 GLY HA2 . 30693 1 459 . 1 1 35 35 GLY HA3 H 1 4.141 . . 1 . . . . A 35 GLY HA3 . 30693 1 460 . 1 1 35 35 GLY C C 13 173.960 . . 1 . . . . A 35 GLY C . 30693 1 461 . 1 1 35 35 GLY CA C 13 45.991 . . 1 . . . . A 35 GLY CA . 30693 1 462 . 1 1 35 35 GLY N N 15 108.801 . . 1 . . . . A 35 GLY N . 30693 1 463 . 1 1 36 36 ILE H H 1 6.179 . . 1 . . . . A 36 ILE H . 30693 1 464 . 1 1 36 36 ILE HA H 1 4.423 . . 1 . . . . A 36 ILE HA . 30693 1 465 . 1 1 36 36 ILE HB H 1 1.431 . . 1 . . . . A 36 ILE HB . 30693 1 466 . 1 1 36 36 ILE HG12 H 1 1.097 . . 1 . . . . A 36 ILE HG12 . 30693 1 467 . 1 1 36 36 ILE HG13 H 1 1.402 . . 1 . . . . A 36 ILE HG13 . 30693 1 468 . 1 1 36 36 ILE HG21 H 1 0.940 . . 1 . . . . A 36 ILE HG21 . 30693 1 469 . 1 1 36 36 ILE HG22 H 1 0.940 . . 1 . . . . A 36 ILE HG22 . 30693 1 470 . 1 1 36 36 ILE HG23 H 1 0.940 . . 1 . . . . A 36 ILE HG23 . 30693 1 471 . 1 1 36 36 ILE HD11 H 1 0.797 . . 1 . . . . A 36 ILE HD11 . 30693 1 472 . 1 1 36 36 ILE HD12 H 1 0.797 . . 1 . . . . A 36 ILE HD12 . 30693 1 473 . 1 1 36 36 ILE HD13 H 1 0.797 . . 1 . . . . A 36 ILE HD13 . 30693 1 474 . 1 1 36 36 ILE C C 13 173.590 . . 1 . . . . A 36 ILE C . 30693 1 475 . 1 1 36 36 ILE CA C 13 57.796 . . 1 . . . . A 36 ILE CA . 30693 1 476 . 1 1 36 36 ILE CB C 13 40.411 . . 1 . . . . A 36 ILE CB . 30693 1 477 . 1 1 36 36 ILE CG1 C 13 27.010 . . 1 . . . . A 36 ILE CG1 . 30693 1 478 . 1 1 36 36 ILE CG2 C 13 17.702 . . 1 . . . . A 36 ILE CG2 . 30693 1 479 . 1 1 36 36 ILE CD1 C 13 13.506 . . 1 . . . . A 36 ILE CD1 . 30693 1 480 . 1 1 36 36 ILE N N 15 120.255 . . 1 . . . . A 36 ILE N . 30693 1 481 . 1 1 37 37 PRO HA H 1 4.635 . . 1 . . . . A 37 PRO HA . 30693 1 482 . 1 1 37 37 PRO HB2 H 1 1.981 . . 1 . . . . A 37 PRO HB2 . 30693 1 483 . 1 1 37 37 PRO HB3 H 1 2.432 . . 1 . . . . A 37 PRO HB3 . 30693 1 484 . 1 1 37 37 PRO HG2 H 1 2.086 . . 2 . . . . A 37 PRO HG2 . 30693 1 485 . 1 1 37 37 PRO HG3 H 1 2.086 . . 2 . . . . A 37 PRO HG3 . 30693 1 486 . 1 1 37 37 PRO HD2 H 1 3.570 . . 1 . . . . A 37 PRO HD2 . 30693 1 487 . 1 1 37 37 PRO HD3 H 1 4.193 . . 1 . . . . A 37 PRO HD3 . 30693 1 488 . 1 1 37 37 PRO C C 13 176.940 . . 1 . . . . A 37 PRO C . 30693 1 489 . 1 1 37 37 PRO CA C 13 61.442 . . 1 . . . . A 37 PRO CA . 30693 1 490 . 1 1 37 37 PRO CB C 13 31.737 . . 1 . . . . A 37 PRO CB . 30693 1 491 . 1 1 37 37 PRO CG C 13 28.270 . . 1 . . . . A 37 PRO CG . 30693 1 492 . 1 1 37 37 PRO CD C 13 50.997 . . 1 . . . . A 37 PRO CD . 30693 1 493 . 1 1 37 37 PRO N N 15 141.240 . . 1 . . . . A 37 PRO N . 30693 1 494 . 1 1 38 38 PRO HA H 1 4.123 . . 1 . . . . A 38 PRO HA . 30693 1 495 . 1 1 38 38 PRO HB2 H 1 2.243 . . 1 . . . . A 38 PRO HB2 . 30693 1 496 . 1 1 38 38 PRO HB3 H 1 2.056 . . 1 . . . . A 38 PRO HB3 . 30693 1 497 . 1 1 38 38 PRO HG2 H 1 1.652 . . 1 . . . . A 38 PRO HG2 . 30693 1 498 . 1 1 38 38 PRO HG3 H 1 2.197 . . 1 . . . . A 38 PRO HG3 . 30693 1 499 . 1 1 38 38 PRO HD2 H 1 3.755 . . 2 . . . . A 38 PRO HD2 . 30693 1 500 . 1 1 38 38 PRO HD3 H 1 3.755 . . 2 . . . . A 38 PRO HD3 . 30693 1 501 . 1 1 38 38 PRO C C 13 178.320 . . 1 . . . . A 38 PRO C . 30693 1 502 . 1 1 38 38 PRO CA C 13 65.991 . . 1 . . . . A 38 PRO CA . 30693 1 503 . 1 1 38 38 PRO CB C 13 32.795 . . 1 . . . . A 38 PRO CB . 30693 1 504 . 1 1 38 38 PRO CG C 13 27.629 . . 1 . . . . A 38 PRO CG . 30693 1 505 . 1 1 38 38 PRO CD C 13 51.077 . . 1 . . . . A 38 PRO CD . 30693 1 506 . 1 1 38 38 PRO N N 15 134.930 . . 1 . . . . A 38 PRO N . 30693 1 507 . 1 1 39 39 ASP H H 1 8.528 . . 1 . . . . A 39 ASP H . 30693 1 508 . 1 1 39 39 ASP HA H 1 4.420 . . 1 . . . . A 39 ASP HA . 30693 1 509 . 1 1 39 39 ASP HB2 H 1 2.682 . . 1 . . . . A 39 ASP HB2 . 30693 1 510 . 1 1 39 39 ASP HB3 H 1 2.767 . . 1 . . . . A 39 ASP HB3 . 30693 1 511 . 1 1 39 39 ASP C C 13 177.090 . . 1 . . . . A 39 ASP C . 30693 1 512 . 1 1 39 39 ASP CA C 13 55.722 . . 1 . . . . A 39 ASP CA . 30693 1 513 . 1 1 39 39 ASP CB C 13 39.804 . . 1 . . . . A 39 ASP CB . 30693 1 514 . 1 1 39 39 ASP N N 15 113.526 . . 1 . . . . A 39 ASP N . 30693 1 515 . 1 1 40 40 GLN H H 1 7.813 . . 1 . . . . A 40 GLN H . 30693 1 516 . 1 1 40 40 GLN HA H 1 4.491 . . 1 . . . . A 40 GLN HA . 30693 1 517 . 1 1 40 40 GLN HB2 H 1 2.444 . . 1 . . . . A 40 GLN HB2 . 30693 1 518 . 1 1 40 40 GLN HB3 H 1 1.831 . . 1 . . . . A 40 GLN HB3 . 30693 1 519 . 1 1 40 40 GLN HG2 H 1 2.415 . . 2 . . . . A 40 GLN HG2 . 30693 1 520 . 1 1 40 40 GLN HG3 H 1 2.415 . . 2 . . . . A 40 GLN HG3 . 30693 1 521 . 1 1 40 40 GLN HE21 H 1 7.628 . . 1 . . . . A 40 GLN HE21 . 30693 1 522 . 1 1 40 40 GLN HE22 H 1 6.721 . . 1 . . . . A 40 GLN HE22 . 30693 1 523 . 1 1 40 40 GLN C C 13 175.380 . . 1 . . . . A 40 GLN C . 30693 1 524 . 1 1 40 40 GLN CA C 13 55.546 . . 1 . . . . A 40 GLN CA . 30693 1 525 . 1 1 40 40 GLN CB C 13 30.046 . . 1 . . . . A 40 GLN CB . 30693 1 526 . 1 1 40 40 GLN CG C 13 34.399 . . 1 . . . . A 40 GLN CG . 30693 1 527 . 1 1 40 40 GLN N N 15 116.819 . . 1 . . . . A 40 GLN N . 30693 1 528 . 1 1 40 40 GLN NE2 N 15 110.769 . . 1 . . . . A 40 GLN NE2 . 30693 1 529 . 1 1 41 41 GLN H H 1 7.468 . . 1 . . . . A 41 GLN H . 30693 1 530 . 1 1 41 41 GLN HA H 1 4.219 . . 1 . . . . A 41 GLN HA . 30693 1 531 . 1 1 41 41 GLN HB2 H 1 1.973 . . 2 . . . . A 41 GLN HB2 . 30693 1 532 . 1 1 41 41 GLN HB3 H 1 1.973 . . 2 . . . . A 41 GLN HB3 . 30693 1 533 . 1 1 41 41 GLN HG2 H 1 1.664 . . 1 . . . . A 41 GLN HG2 . 30693 1 534 . 1 1 41 41 GLN HG3 H 1 2.531 . . 1 . . . . A 41 GLN HG3 . 30693 1 535 . 1 1 41 41 GLN HE21 H 1 6.194 . . 1 . . . . A 41 GLN HE21 . 30693 1 536 . 1 1 41 41 GLN HE22 H 1 6.513 . . 1 . . . . A 41 GLN HE22 . 30693 1 537 . 1 1 41 41 GLN C C 13 176.300 . . 1 . . . . A 41 GLN C . 30693 1 538 . 1 1 41 41 GLN CA C 13 56.639 . . 1 . . . . A 41 GLN CA . 30693 1 539 . 1 1 41 41 GLN CB C 13 31.776 . . 1 . . . . A 41 GLN CB . 30693 1 540 . 1 1 41 41 GLN CG C 13 33.494 . . 1 . . . . A 41 GLN CG . 30693 1 541 . 1 1 41 41 GLN N N 15 117.921 . . 1 . . . . A 41 GLN N . 30693 1 542 . 1 1 41 41 GLN NE2 N 15 104.249 . . 1 . . . . A 41 GLN NE2 . 30693 1 543 . 1 1 42 42 ARG H H 1 8.514 . . 1 . . . . A 42 ARG H . 30693 1 544 . 1 1 42 42 ARG HA H 1 4.488 . . 1 . . . . A 42 ARG HA . 30693 1 545 . 1 1 42 42 ARG HB2 H 1 1.640 . . 1 . . . . A 42 ARG HB2 . 30693 1 546 . 1 1 42 42 ARG HB3 H 1 1.712 . . 1 . . . . A 42 ARG HB3 . 30693 1 547 . 1 1 42 42 ARG HG2 H 1 1.415 . . 2 . . . . A 42 ARG HG2 . 30693 1 548 . 1 1 42 42 ARG HG3 H 1 1.415 . . 2 . . . . A 42 ARG HG3 . 30693 1 549 . 1 1 42 42 ARG HD2 H 1 3.064 . . 1 . . . . A 42 ARG HD2 . 30693 1 550 . 1 1 42 42 ARG HD3 H 1 3.115 . . 1 . . . . A 42 ARG HD3 . 30693 1 551 . 1 1 42 42 ARG C C 13 174.050 . . 1 . . . . A 42 ARG C . 30693 1 552 . 1 1 42 42 ARG CA C 13 55.050 . . 1 . . . . A 42 ARG CA . 30693 1 553 . 1 1 42 42 ARG CB C 13 31.633 . . 1 . . . . A 42 ARG CB . 30693 1 554 . 1 1 42 42 ARG CG C 13 27.110 . . 1 . . . . A 42 ARG CG . 30693 1 555 . 1 1 42 42 ARG CD C 13 43.610 . . 1 . . . . A 42 ARG CD . 30693 1 556 . 1 1 42 42 ARG N N 15 123.027 . . 1 . . . . A 42 ARG N . 30693 1 557 . 1 1 43 43 LEU H H 1 8.789 . . 1 . . . . A 43 LEU H . 30693 1 558 . 1 1 43 43 LEU HA H 1 5.369 . . 1 . . . . A 43 LEU HA . 30693 1 559 . 1 1 43 43 LEU HB2 H 1 1.170 . . 1 . . . . A 43 LEU HB2 . 30693 1 560 . 1 1 43 43 LEU HB3 H 1 1.558 . . 1 . . . . A 43 LEU HB3 . 30693 1 561 . 1 1 43 43 LEU HG H 1 1.476 . . 1 . . . . A 43 LEU HG . 30693 1 562 . 1 1 43 43 LEU HD11 H 1 0.772 . . 1 . . . . A 43 LEU HD11 . 30693 1 563 . 1 1 43 43 LEU HD12 H 1 0.772 . . 1 . . . . A 43 LEU HD12 . 30693 1 564 . 1 1 43 43 LEU HD13 H 1 0.772 . . 1 . . . . A 43 LEU HD13 . 30693 1 565 . 1 1 43 43 LEU HD21 H 1 0.805 . . 1 . . . . A 43 LEU HD21 . 30693 1 566 . 1 1 43 43 LEU HD22 H 1 0.805 . . 1 . . . . A 43 LEU HD22 . 30693 1 567 . 1 1 43 43 LEU HD23 H 1 0.805 . . 1 . . . . A 43 LEU HD23 . 30693 1 568 . 1 1 43 43 LEU C C 13 175.290 . . 1 . . . . A 43 LEU C . 30693 1 569 . 1 1 43 43 LEU CA C 13 53.058 . . 1 . . . . A 43 LEU CA . 30693 1 570 . 1 1 43 43 LEU CB C 13 45.641 . . 1 . . . . A 43 LEU CB . 30693 1 571 . 1 1 43 43 LEU CG C 13 27.249 . . 1 . . . . A 43 LEU CG . 30693 1 572 . 1 1 43 43 LEU CD1 C 13 26.477 . . 1 . . . . A 43 LEU CD1 . 30693 1 573 . 1 1 43 43 LEU CD2 C 13 24.164 . . 1 . . . . A 43 LEU CD2 . 30693 1 574 . 1 1 43 43 LEU N N 15 124.436 . . 1 . . . . A 43 LEU N . 30693 1 575 . 1 1 44 44 ILE H H 1 9.125 . . 1 . . . . A 44 ILE H . 30693 1 576 . 1 1 44 44 ILE HA H 1 4.946 . . 1 . . . . A 44 ILE HA . 30693 1 577 . 1 1 44 44 ILE HB H 1 1.757 . . 1 . . . . A 44 ILE HB . 30693 1 578 . 1 1 44 44 ILE HG12 H 1 1.059 . . 1 . . . . A 44 ILE HG12 . 30693 1 579 . 1 1 44 44 ILE HG13 H 1 1.361 . . 1 . . . . A 44 ILE HG13 . 30693 1 580 . 1 1 44 44 ILE HG21 H 1 0.693 . . 1 . . . . A 44 ILE HG21 . 30693 1 581 . 1 1 44 44 ILE HG22 H 1 0.693 . . 1 . . . . A 44 ILE HG22 . 30693 1 582 . 1 1 44 44 ILE HG23 H 1 0.693 . . 1 . . . . A 44 ILE HG23 . 30693 1 583 . 1 1 44 44 ILE HD11 H 1 0.685 . . 1 . . . . A 44 ILE HD11 . 30693 1 584 . 1 1 44 44 ILE HD12 H 1 0.685 . . 1 . . . . A 44 ILE HD12 . 30693 1 585 . 1 1 44 44 ILE HD13 H 1 0.685 . . 1 . . . . A 44 ILE HD13 . 30693 1 586 . 1 1 44 44 ILE C C 13 176.060 . . 1 . . . . A 44 ILE C . 30693 1 587 . 1 1 44 44 ILE CA C 13 59.013 . . 1 . . . . A 44 ILE CA . 30693 1 588 . 1 1 44 44 ILE CB C 13 41.291 . . 1 . . . . A 44 ILE CB . 30693 1 589 . 1 1 44 44 ILE CG1 C 13 27.832 . . 1 . . . . A 44 ILE CG1 . 30693 1 590 . 1 1 44 44 ILE CG2 C 13 17.515 . . 1 . . . . A 44 ILE CG2 . 30693 1 591 . 1 1 44 44 ILE CD1 C 13 12.711 . . 1 . . . . A 44 ILE CD1 . 30693 1 592 . 1 1 44 44 ILE N N 15 122.526 . . 1 . . . . A 44 ILE N . 30693 1 593 . 1 1 45 45 PHE H H 1 8.844 . . 1 . . . . A 45 PHE H . 30693 1 594 . 1 1 45 45 PHE HA H 1 5.157 . . 1 . . . . A 45 PHE HA . 30693 1 595 . 1 1 45 45 PHE HB2 H 1 2.814 . . 1 . . . . A 45 PHE HB2 . 30693 1 596 . 1 1 45 45 PHE HB3 H 1 3.016 . . 1 . . . . A 45 PHE HB3 . 30693 1 597 . 1 1 45 45 PHE HD1 H 1 7.364 . . 3 . . . . A 45 PHE HD1 . 30693 1 598 . 1 1 45 45 PHE HD2 H 1 7.364 . . 3 . . . . A 45 PHE HD2 . 30693 1 599 . 1 1 45 45 PHE HE1 H 1 7.535 . . 3 . . . . A 45 PHE HE1 . 30693 1 600 . 1 1 45 45 PHE HE2 H 1 7.535 . . 3 . . . . A 45 PHE HE2 . 30693 1 601 . 1 1 45 45 PHE HZ H 1 7.477 . . 1 . . . . A 45 PHE HZ . 30693 1 602 . 1 1 45 45 PHE C C 13 174.470 . . 1 . . . . A 45 PHE C . 30693 1 603 . 1 1 45 45 PHE CA C 13 56.388 . . 1 . . . . A 45 PHE CA . 30693 1 604 . 1 1 45 45 PHE CB C 13 43.566 . . 1 . . . . A 45 PHE CB . 30693 1 605 . 1 1 45 45 PHE CD1 C 13 132.174 . . 1 . . . . A 45 PHE CD1 . 30693 1 606 . 1 1 45 45 PHE CE1 C 13 132.188 . . 1 . . . . A 45 PHE CE1 . 30693 1 607 . 1 1 45 45 PHE CZ C 13 130.168 . . 1 . . . . A 45 PHE CZ . 30693 1 608 . 1 1 45 45 PHE N N 15 124.966 . . 1 . . . . A 45 PHE N . 30693 1 609 . 1 1 46 46 ALA H H 1 8.937 . . 1 . . . . A 46 ALA H . 30693 1 610 . 1 1 46 46 ALA HA H 1 3.710 . . 1 . . . . A 46 ALA HA . 30693 1 611 . 1 1 46 46 ALA HB1 H 1 0.880 . . 1 . . . . A 46 ALA HB1 . 30693 1 612 . 1 1 46 46 ALA HB2 H 1 0.880 . . 1 . . . . A 46 ALA HB2 . 30693 1 613 . 1 1 46 46 ALA HB3 H 1 0.880 . . 1 . . . . A 46 ALA HB3 . 30693 1 614 . 1 1 46 46 ALA C C 13 177.290 . . 1 . . . . A 46 ALA C . 30693 1 615 . 1 1 46 46 ALA CA C 13 52.508 . . 1 . . . . A 46 ALA CA . 30693 1 616 . 1 1 46 46 ALA CB C 13 16.463 . . 1 . . . . A 46 ALA CB . 30693 1 617 . 1 1 46 46 ALA N N 15 132.719 . . 1 . . . . A 46 ALA N . 30693 1 618 . 1 1 47 47 GLY H H 1 8.090 . . 1 . . . . A 47 GLY H . 30693 1 619 . 1 1 47 47 GLY HA2 H 1 3.454 . . 1 . . . . A 47 GLY HA2 . 30693 1 620 . 1 1 47 47 GLY HA3 H 1 4.102 . . 1 . . . . A 47 GLY HA3 . 30693 1 621 . 1 1 47 47 GLY C C 13 173.810 . . 1 . . . . A 47 GLY C . 30693 1 622 . 1 1 47 47 GLY CA C 13 45.357 . . 1 . . . . A 47 GLY CA . 30693 1 623 . 1 1 47 47 GLY N N 15 102.442 . . 1 . . . . A 47 GLY N . 30693 1 624 . 1 1 48 48 LYS H H 1 7.993 . . 1 . . . . A 48 LYS H . 30693 1 625 . 1 1 48 48 LYS HA H 1 4.612 . . 1 . . . . A 48 LYS HA . 30693 1 626 . 1 1 48 48 LYS HB2 H 1 1.909 . . 2 . . . . A 48 LYS HB2 . 30693 1 627 . 1 1 48 48 LYS HB3 H 1 1.909 . . 2 . . . . A 48 LYS HB3 . 30693 1 628 . 1 1 48 48 LYS HG2 H 1 1.522 . . 2 . . . . A 48 LYS HG2 . 30693 1 629 . 1 1 48 48 LYS HG3 H 1 1.522 . . 2 . . . . A 48 LYS HG3 . 30693 1 630 . 1 1 48 48 LYS HD2 H 1 1.870 . . 2 . . . . A 48 LYS HD2 . 30693 1 631 . 1 1 48 48 LYS HD3 H 1 1.870 . . 2 . . . . A 48 LYS HD3 . 30693 1 632 . 1 1 48 48 LYS HE2 H 1 3.179 . . 2 . . . . A 48 LYS HE2 . 30693 1 633 . 1 1 48 48 LYS HE3 H 1 3.179 . . 2 . . . . A 48 LYS HE3 . 30693 1 634 . 1 1 48 48 LYS C C 13 174.700 . . 1 . . . . A 48 LYS C . 30693 1 635 . 1 1 48 48 LYS CA C 13 54.621 . . 1 . . . . A 48 LYS CA . 30693 1 636 . 1 1 48 48 LYS CB C 13 34.169 . . 1 . . . . A 48 LYS CB . 30693 1 637 . 1 1 48 48 LYS CG C 13 24.415 . . 1 . . . . A 48 LYS CG . 30693 1 638 . 1 1 48 48 LYS CD C 13 29.130 . . 1 . . . . A 48 LYS CD . 30693 1 639 . 1 1 48 48 LYS CE C 13 42.317 . . 1 . . . . A 48 LYS CE . 30693 1 640 . 1 1 48 48 LYS N N 15 121.891 . . 1 . . . . A 48 LYS N . 30693 1 641 . 1 1 49 49 GLN H H 1 8.612 . . 1 . . . . A 49 GLN H . 30693 1 642 . 1 1 49 49 GLN HA H 1 4.545 . . 1 . . . . A 49 GLN HA . 30693 1 643 . 1 1 49 49 GLN HB2 H 1 1.998 . . 2 . . . . A 49 GLN HB2 . 30693 1 644 . 1 1 49 49 GLN HB3 H 1 1.998 . . 2 . . . . A 49 GLN HB3 . 30693 1 645 . 1 1 49 49 GLN HG2 H 1 2.251 . . 2 . . . . A 49 GLN HG2 . 30693 1 646 . 1 1 49 49 GLN HG3 H 1 2.251 . . 2 . . . . A 49 GLN HG3 . 30693 1 647 . 1 1 49 49 GLN HE21 H 1 7.652 . . 1 . . . . A 49 GLN HE21 . 30693 1 648 . 1 1 49 49 GLN HE22 H 1 6.722 . . 1 . . . . A 49 GLN HE22 . 30693 1 649 . 1 1 49 49 GLN C C 13 175.670 . . 1 . . . . A 49 GLN C . 30693 1 650 . 1 1 49 49 GLN CA C 13 55.892 . . 1 . . . . A 49 GLN CA . 30693 1 651 . 1 1 49 49 GLN CB C 13 28.963 . . 1 . . . . A 49 GLN CB . 30693 1 652 . 1 1 49 49 GLN CG C 13 34.557 . . 1 . . . . A 49 GLN CG . 30693 1 653 . 1 1 49 49 GLN N N 15 123.033 . . 1 . . . . A 49 GLN N . 30693 1 654 . 1 1 49 49 GLN NE2 N 15 111.723 . . 1 . . . . A 49 GLN NE2 . 30693 1 655 . 1 1 50 50 LEU H H 1 8.558 . . 1 . . . . A 50 LEU H . 30693 1 656 . 1 1 50 50 LEU HA H 1 4.092 . . 1 . . . . A 50 LEU HA . 30693 1 657 . 1 1 50 50 LEU HB2 H 1 1.020 . . 1 . . . . A 50 LEU HB2 . 30693 1 658 . 1 1 50 50 LEU HB3 H 1 1.497 . . 1 . . . . A 50 LEU HB3 . 30693 1 659 . 1 1 50 50 LEU HG H 1 1.474 . . 1 . . . . A 50 LEU HG . 30693 1 660 . 1 1 50 50 LEU HD11 H 1 0.520 . . 1 . . . . A 50 LEU HD11 . 30693 1 661 . 1 1 50 50 LEU HD12 H 1 0.520 . . 1 . . . . A 50 LEU HD12 . 30693 1 662 . 1 1 50 50 LEU HD13 H 1 0.520 . . 1 . . . . A 50 LEU HD13 . 30693 1 663 . 1 1 50 50 LEU HD21 H 1 -0.146 . . 1 . . . . A 50 LEU HD21 . 30693 1 664 . 1 1 50 50 LEU HD22 H 1 -0.146 . . 1 . . . . A 50 LEU HD22 . 30693 1 665 . 1 1 50 50 LEU HD23 H 1 -0.146 . . 1 . . . . A 50 LEU HD23 . 30693 1 666 . 1 1 50 50 LEU C C 13 176.660 . . 1 . . . . A 50 LEU C . 30693 1 667 . 1 1 50 50 LEU CA C 13 54.251 . . 1 . . . . A 50 LEU CA . 30693 1 668 . 1 1 50 50 LEU CB C 13 41.409 . . 1 . . . . A 50 LEU CB . 30693 1 669 . 1 1 50 50 LEU CG C 13 25.809 . . 1 . . . . A 50 LEU CG . 30693 1 670 . 1 1 50 50 LEU CD1 C 13 25.878 . . 1 . . . . A 50 LEU CD1 . 30693 1 671 . 1 1 50 50 LEU CD2 C 13 19.633 . . 1 . . . . A 50 LEU CD2 . 30693 1 672 . 1 1 50 50 LEU N N 15 125.657 . . 1 . . . . A 50 LEU N . 30693 1 673 . 1 1 51 51 GLU H H 1 8.379 . . 1 . . . . A 51 GLU H . 30693 1 674 . 1 1 51 51 GLU HA H 1 4.498 . . 1 . . . . A 51 GLU HA . 30693 1 675 . 1 1 51 51 GLU HB2 H 1 2.226 . . 1 . . . . A 51 GLU HB2 . 30693 1 676 . 1 1 51 51 GLU HB3 H 1 1.977 . . 1 . . . . A 51 GLU HB3 . 30693 1 677 . 1 1 51 51 GLU HG2 H 1 2.433 . . 2 . . . . A 51 GLU HG2 . 30693 1 678 . 1 1 51 51 GLU HG3 H 1 2.433 . . 2 . . . . A 51 GLU HG3 . 30693 1 679 . 1 1 51 51 GLU C C 13 175.870 . . 1 . . . . A 51 GLU C . 30693 1 680 . 1 1 51 51 GLU CA C 13 55.848 . . 1 . . . . A 51 GLU CA . 30693 1 681 . 1 1 51 51 GLU CB C 13 31.699 . . 1 . . . . A 51 GLU CB . 30693 1 682 . 1 1 51 51 GLU CG C 13 36.495 . . 1 . . . . A 51 GLU CG . 30693 1 683 . 1 1 51 51 GLU N N 15 123.161 . . 1 . . . . A 51 GLU N . 30693 1 684 . 1 1 52 52 ASP H H 1 8.147 . . 1 . . . . A 52 ASP H . 30693 1 685 . 1 1 52 52 ASP HA H 1 4.378 . . 1 . . . . A 52 ASP HA . 30693 1 686 . 1 1 52 52 ASP HB2 H 1 2.622 . . 1 . . . . A 52 ASP HB2 . 30693 1 687 . 1 1 52 52 ASP HB3 H 1 2.527 . . 1 . . . . A 52 ASP HB3 . 30693 1 688 . 1 1 52 52 ASP C C 13 177.330 . . 1 . . . . A 52 ASP C . 30693 1 689 . 1 1 52 52 ASP CA C 13 56.699 . . 1 . . . . A 52 ASP CA . 30693 1 690 . 1 1 52 52 ASP CB C 13 40.795 . . 1 . . . . A 52 ASP CB . 30693 1 691 . 1 1 52 52 ASP N N 15 120.403 . . 1 . . . . A 52 ASP N . 30693 1 692 . 1 1 53 53 GLY H H 1 9.622 . . 1 . . . . A 53 GLY H . 30693 1 693 . 1 1 53 53 GLY HA2 H 1 4.082 . . 1 . . . . A 53 GLY HA2 . 30693 1 694 . 1 1 53 53 GLY HA3 H 1 4.037 . . 1 . . . . A 53 GLY HA3 . 30693 1 695 . 1 1 53 53 GLY C C 13 174.870 . . 1 . . . . A 53 GLY C . 30693 1 696 . 1 1 53 53 GLY CA C 13 45.227 . . 1 . . . . A 53 GLY CA . 30693 1 697 . 1 1 53 53 GLY N N 15 107.796 . . 1 . . . . A 53 GLY N . 30693 1 698 . 1 1 54 54 ARG H H 1 7.480 . . 1 . . . . A 54 ARG H . 30693 1 699 . 1 1 54 54 ARG HA H 1 4.721 . . 1 . . . . A 54 ARG HA . 30693 1 700 . 1 1 54 54 ARG HB2 H 1 2.085 . . 1 . . . . A 54 ARG HB2 . 30693 1 701 . 1 1 54 54 ARG HB3 H 1 2.232 . . 1 . . . . A 54 ARG HB3 . 30693 1 702 . 1 1 54 54 ARG HG2 H 1 1.627 . . 1 . . . . A 54 ARG HG2 . 30693 1 703 . 1 1 54 54 ARG HG3 H 1 1.831 . . 1 . . . . A 54 ARG HG3 . 30693 1 704 . 1 1 54 54 ARG HD2 H 1 3.084 . . 1 . . . . A 54 ARG HD2 . 30693 1 705 . 1 1 54 54 ARG HD3 H 1 3.145 . . 1 . . . . A 54 ARG HD3 . 30693 1 706 . 1 1 54 54 ARG C C 13 175.350 . . 1 . . . . A 54 ARG C . 30693 1 707 . 1 1 54 54 ARG CA C 13 54.332 . . 1 . . . . A 54 ARG CA . 30693 1 708 . 1 1 54 54 ARG CB C 13 32.650 . . 1 . . . . A 54 ARG CB . 30693 1 709 . 1 1 54 54 ARG CG C 13 27.468 . . 1 . . . . A 54 ARG CG . 30693 1 710 . 1 1 54 54 ARG CD C 13 42.966 . . 1 . . . . A 54 ARG CD . 30693 1 711 . 1 1 54 54 ARG N N 15 119.304 . . 1 . . . . A 54 ARG N . 30693 1 712 . 1 1 55 55 THR H H 1 8.836 . . 1 . . . . A 55 THR H . 30693 1 713 . 1 1 55 55 THR HA H 1 5.233 . . 1 . . . . A 55 THR HA . 30693 1 714 . 1 1 55 55 THR HB H 1 4.539 . . 1 . . . . A 55 THR HB . 30693 1 715 . 1 1 55 55 THR HG21 H 1 1.135 . . 1 . . . . A 55 THR HG21 . 30693 1 716 . 1 1 55 55 THR HG22 H 1 1.135 . . 1 . . . . A 55 THR HG22 . 30693 1 717 . 1 1 55 55 THR HG23 H 1 1.135 . . 1 . . . . A 55 THR HG23 . 30693 1 718 . 1 1 55 55 THR C C 13 176.560 . . 1 . . . . A 55 THR C . 30693 1 719 . 1 1 55 55 THR CA C 13 59.738 . . 1 . . . . A 55 THR CA . 30693 1 720 . 1 1 55 55 THR CB C 13 72.337 . . 1 . . . . A 55 THR CB . 30693 1 721 . 1 1 55 55 THR CG2 C 13 22.135 . . 1 . . . . A 55 THR CG2 . 30693 1 722 . 1 1 55 55 THR N N 15 108.841 . . 1 . . . . A 55 THR N . 30693 1 723 . 1 1 56 56 LEU H H 1 8.161 . . 1 . . . . A 56 LEU H . 30693 1 724 . 1 1 56 56 LEU HA H 1 4.062 . . 1 . . . . A 56 LEU HA . 30693 1 725 . 1 1 56 56 LEU HB2 H 1 1.218 . . 1 . . . . A 56 LEU HB2 . 30693 1 726 . 1 1 56 56 LEU HB3 H 1 2.102 . . 1 . . . . A 56 LEU HB3 . 30693 1 727 . 1 1 56 56 LEU HG H 1 1.715 . . 1 . . . . A 56 LEU HG . 30693 1 728 . 1 1 56 56 LEU HD11 H 1 0.760 . . 1 . . . . A 56 LEU HD11 . 30693 1 729 . 1 1 56 56 LEU HD12 H 1 0.760 . . 1 . . . . A 56 LEU HD12 . 30693 1 730 . 1 1 56 56 LEU HD13 H 1 0.760 . . 1 . . . . A 56 LEU HD13 . 30693 1 731 . 1 1 56 56 LEU HD21 H 1 0.623 . . 1 . . . . A 56 LEU HD21 . 30693 1 732 . 1 1 56 56 LEU HD22 H 1 0.623 . . 1 . . . . A 56 LEU HD22 . 30693 1 733 . 1 1 56 56 LEU HD23 H 1 0.623 . . 1 . . . . A 56 LEU HD23 . 30693 1 734 . 1 1 56 56 LEU C C 13 180.810 . . 1 . . . . A 56 LEU C . 30693 1 735 . 1 1 56 56 LEU CA C 13 58.661 . . 1 . . . . A 56 LEU CA . 30693 1 736 . 1 1 56 56 LEU CB C 13 40.262 . . 1 . . . . A 56 LEU CB . 30693 1 737 . 1 1 56 56 LEU CG C 13 26.727 . . 1 . . . . A 56 LEU CG . 30693 1 738 . 1 1 56 56 LEU CD1 C 13 26.870 . . 1 . . . . A 56 LEU CD1 . 30693 1 739 . 1 1 56 56 LEU CD2 C 13 23.104 . . 1 . . . . A 56 LEU CD2 . 30693 1 740 . 1 1 56 56 LEU N N 15 118.123 . . 1 . . . . A 56 LEU N . 30693 1 741 . 1 1 57 57 SER H H 1 8.458 . . 1 . . . . A 57 SER H . 30693 1 742 . 1 1 57 57 SER HA H 1 4.255 . . 1 . . . . A 57 SER HA . 30693 1 743 . 1 1 57 57 SER HB2 H 1 3.762 . . 1 . . . . A 57 SER HB2 . 30693 1 744 . 1 1 57 57 SER HB3 H 1 3.851 . . 1 . . . . A 57 SER HB3 . 30693 1 745 . 1 1 57 57 SER C C 13 178.310 . . 1 . . . . A 57 SER C . 30693 1 746 . 1 1 57 57 SER CA C 13 61.103 . . 1 . . . . A 57 SER CA . 30693 1 747 . 1 1 57 57 SER CB C 13 62.554 . . 1 . . . . A 57 SER CB . 30693 1 748 . 1 1 57 57 SER N N 15 113.407 . . 1 . . . . A 57 SER N . 30693 1 749 . 1 1 58 58 ASP H H 1 7.943 . . 1 . . . . A 58 ASP H . 30693 1 750 . 1 1 58 58 ASP HA H 1 4.291 . . 1 . . . . A 58 ASP HA . 30693 1 751 . 1 1 58 58 ASP HB2 H 1 2.284 . . 1 . . . . A 58 ASP HB2 . 30693 1 752 . 1 1 58 58 ASP HB3 H 1 2.993 . . 1 . . . . A 58 ASP HB3 . 30693 1 753 . 1 1 58 58 ASP C C 13 177.400 . . 1 . . . . A 58 ASP C . 30693 1 754 . 1 1 58 58 ASP CA C 13 57.267 . . 1 . . . . A 58 ASP CA . 30693 1 755 . 1 1 58 58 ASP CB C 13 40.380 . . 1 . . . . A 58 ASP CB . 30693 1 756 . 1 1 58 58 ASP N N 15 124.522 . . 1 . . . . A 58 ASP N . 30693 1 757 . 1 1 59 59 TYR H H 1 7.256 . . 1 . . . . A 59 TYR H . 30693 1 758 . 1 1 59 59 TYR HA H 1 4.650 . . 1 . . . . A 59 TYR HA . 30693 1 759 . 1 1 59 59 TYR HB2 H 1 3.457 . . 1 . . . . A 59 TYR HB2 . 30693 1 760 . 1 1 59 59 TYR HB3 H 1 2.535 . . 1 . . . . A 59 TYR HB3 . 30693 1 761 . 1 1 59 59 TYR HD1 H 1 7.255 . . 3 . . . . A 59 TYR HD1 . 30693 1 762 . 1 1 59 59 TYR HD2 H 1 7.255 . . 3 . . . . A 59 TYR HD2 . 30693 1 763 . 1 1 59 59 TYR HE1 H 1 6.890 . . 3 . . . . A 59 TYR HE1 . 30693 1 764 . 1 1 59 59 TYR HE2 H 1 6.890 . . 3 . . . . A 59 TYR HE2 . 30693 1 765 . 1 1 59 59 TYR C C 13 174.700 . . 1 . . . . A 59 TYR C . 30693 1 766 . 1 1 59 59 TYR CA C 13 58.218 . . 1 . . . . A 59 TYR CA . 30693 1 767 . 1 1 59 59 TYR CB C 13 39.961 . . 1 . . . . A 59 TYR CB . 30693 1 768 . 1 1 59 59 TYR CD1 C 13 133.670 . . 1 . . . . A 59 TYR CD1 . 30693 1 769 . 1 1 59 59 TYR CE1 C 13 118.652 . . 1 . . . . A 59 TYR CE1 . 30693 1 770 . 1 1 59 59 TYR N N 15 115.727 . . 1 . . . . A 59 TYR N . 30693 1 771 . 1 1 60 60 ASN H H 1 8.156 . . 1 . . . . A 60 ASN H . 30693 1 772 . 1 1 60 60 ASN HA H 1 4.351 . . 1 . . . . A 60 ASN HA . 30693 1 773 . 1 1 60 60 ASN HB2 H 1 2.817 . . 1 . . . . A 60 ASN HB2 . 30693 1 774 . 1 1 60 60 ASN HB3 H 1 3.303 . . 1 . . . . A 60 ASN HB3 . 30693 1 775 . 1 1 60 60 ASN HD21 H 1 7.525 . . 1 . . . . A 60 ASN HD21 . 30693 1 776 . 1 1 60 60 ASN HD22 H 1 6.810 . . 1 . . . . A 60 ASN HD22 . 30693 1 777 . 1 1 60 60 ASN C C 13 174.340 . . 1 . . . . A 60 ASN C . 30693 1 778 . 1 1 60 60 ASN CA C 13 54.168 . . 1 . . . . A 60 ASN CA . 30693 1 779 . 1 1 60 60 ASN CB C 13 37.378 . . 1 . . . . A 60 ASN CB . 30693 1 780 . 1 1 60 60 ASN N N 15 115.895 . . 1 . . . . A 60 ASN N . 30693 1 781 . 1 1 60 60 ASN ND2 N 15 111.379 . . 1 . . . . A 60 ASN ND2 . 30693 1 782 . 1 1 61 61 ILE H H 1 7.254 . . 1 . . . . A 61 ILE H . 30693 1 783 . 1 1 61 61 ILE HA H 1 3.388 . . 1 . . . . A 61 ILE HA . 30693 1 784 . 1 1 61 61 ILE HB H 1 1.395 . . 1 . . . . A 61 ILE HB . 30693 1 785 . 1 1 61 61 ILE HG12 H 1 -0.321 . . 1 . . . . A 61 ILE HG12 . 30693 1 786 . 1 1 61 61 ILE HG13 H 1 1.112 . . 1 . . . . A 61 ILE HG13 . 30693 1 787 . 1 1 61 61 ILE HG21 H 1 0.501 . . 1 . . . . A 61 ILE HG21 . 30693 1 788 . 1 1 61 61 ILE HG22 H 1 0.501 . . 1 . . . . A 61 ILE HG22 . 30693 1 789 . 1 1 61 61 ILE HG23 H 1 0.501 . . 1 . . . . A 61 ILE HG23 . 30693 1 790 . 1 1 61 61 ILE HD11 H 1 0.408 . . 1 . . . . A 61 ILE HD11 . 30693 1 791 . 1 1 61 61 ILE HD12 H 1 0.408 . . 1 . . . . A 61 ILE HD12 . 30693 1 792 . 1 1 61 61 ILE HD13 H 1 0.408 . . 1 . . . . A 61 ILE HD13 . 30693 1 793 . 1 1 61 61 ILE C C 13 174.610 . . 1 . . . . A 61 ILE C . 30693 1 794 . 1 1 61 61 ILE CA C 13 62.436 . . 1 . . . . A 61 ILE CA . 30693 1 795 . 1 1 61 61 ILE CB C 13 36.680 . . 1 . . . . A 61 ILE CB . 30693 1 796 . 1 1 61 61 ILE CG1 C 13 28.178 . . 1 . . . . A 61 ILE CG1 . 30693 1 797 . 1 1 61 61 ILE CG2 C 13 17.218 . . 1 . . . . A 61 ILE CG2 . 30693 1 798 . 1 1 61 61 ILE CD1 C 13 14.265 . . 1 . . . . A 61 ILE CD1 . 30693 1 799 . 1 1 61 61 ILE N N 15 118.859 . . 1 . . . . A 61 ILE N . 30693 1 800 . 1 1 62 62 GLN H H 1 7.620 . . 1 . . . . A 62 GLN H . 30693 1 801 . 1 1 62 62 GLN HA H 1 4.520 . . 1 . . . . A 62 GLN HA . 30693 1 802 . 1 1 62 62 GLN HB2 H 1 2.244 . . 1 . . . . A 62 GLN HB2 . 30693 1 803 . 1 1 62 62 GLN HB3 H 1 1.901 . . 1 . . . . A 62 GLN HB3 . 30693 1 804 . 1 1 62 62 GLN HG2 H 1 2.416 . . 1 . . . . A 62 GLN HG2 . 30693 1 805 . 1 1 62 62 GLN HG3 H 1 2.314 . . 1 . . . . A 62 GLN HG3 . 30693 1 806 . 1 1 62 62 GLN HE21 H 1 7.249 . . 1 . . . . A 62 GLN HE21 . 30693 1 807 . 1 1 62 62 GLN HE22 H 1 6.809 . . 1 . . . . A 62 GLN HE22 . 30693 1 808 . 1 1 62 62 GLN C C 13 175.970 . . 1 . . . . A 62 GLN C . 30693 1 809 . 1 1 62 62 GLN CA C 13 53.654 . . 1 . . . . A 62 GLN CA . 30693 1 810 . 1 1 62 62 GLN CB C 13 31.576 . . 1 . . . . A 62 GLN CB . 30693 1 811 . 1 1 62 62 GLN CG C 13 33.430 . . 1 . . . . A 62 GLN CG . 30693 1 812 . 1 1 62 62 GLN N N 15 124.941 . . 1 . . . . A 62 GLN N . 30693 1 813 . 1 1 62 62 GLN NE2 N 15 112.218 . . 1 . . . . A 62 GLN NE2 . 30693 1 814 . 1 1 63 63 LYS H H 1 8.450 . . 1 . . . . A 63 LYS H . 30693 1 815 . 1 1 63 63 LYS HA H 1 3.979 . . 1 . . . . A 63 LYS HA . 30693 1 816 . 1 1 63 63 LYS HB2 H 1 1.502 . . 2 . . . . A 63 LYS HB2 . 30693 1 817 . 1 1 63 63 LYS HB3 H 1 1.502 . . 2 . . . . A 63 LYS HB3 . 30693 1 818 . 1 1 63 63 LYS HD2 H 1 1.751 . . 2 . . . . A 63 LYS HD2 . 30693 1 819 . 1 1 63 63 LYS HD3 H 1 1.751 . . 2 . . . . A 63 LYS HD3 . 30693 1 820 . 1 1 63 63 LYS HE2 H 1 3.046 . . 2 . . . . A 63 LYS HE2 . 30693 1 821 . 1 1 63 63 LYS HE3 H 1 3.046 . . 2 . . . . A 63 LYS HE3 . 30693 1 822 . 1 1 63 63 LYS C C 13 175.810 . . 1 . . . . A 63 LYS C . 30693 1 823 . 1 1 63 63 LYS CA C 13 57.872 . . 1 . . . . A 63 LYS CA . 30693 1 824 . 1 1 63 63 LYS CB C 13 32.631 . . 1 . . . . A 63 LYS CB . 30693 1 825 . 1 1 63 63 LYS CG C 13 23.988 . . 1 . . . . A 63 LYS CG . 30693 1 826 . 1 1 63 63 LYS CD C 13 29.770 . . 1 . . . . A 63 LYS CD . 30693 1 827 . 1 1 63 63 LYS CE C 13 42.099 . . 1 . . . . A 63 LYS CE . 30693 1 828 . 1 1 63 63 LYS N N 15 120.573 . . 1 . . . . A 63 LYS N . 30693 1 829 . 1 1 64 64 GLU H H 1 9.295 . . 1 . . . . A 64 GLU H . 30693 1 830 . 1 1 64 64 GLU HA H 1 3.345 . . 1 . . . . A 64 GLU HA . 30693 1 831 . 1 1 64 64 GLU HB2 H 1 2.540 . . 1 . . . . A 64 GLU HB2 . 30693 1 832 . 1 1 64 64 GLU HB3 H 1 2.412 . . 1 . . . . A 64 GLU HB3 . 30693 1 833 . 1 1 64 64 GLU HG2 H 1 2.239 . . 2 . . . . A 64 GLU HG2 . 30693 1 834 . 1 1 64 64 GLU HG3 H 1 2.239 . . 2 . . . . A 64 GLU HG3 . 30693 1 835 . 1 1 64 64 GLU C C 13 175.250 . . 1 . . . . A 64 GLU C . 30693 1 836 . 1 1 64 64 GLU CA C 13 58.429 . . 1 . . . . A 64 GLU CA . 30693 1 837 . 1 1 64 64 GLU CB C 13 26.068 . . 1 . . . . A 64 GLU CB . 30693 1 838 . 1 1 64 64 GLU CG C 13 37.395 . . 1 . . . . A 64 GLU CG . 30693 1 839 . 1 1 64 64 GLU N N 15 114.647 . . 1 . . . . A 64 GLU N . 30693 1 840 . 1 1 65 65 SER H H 1 7.673 . . 1 . . . . A 65 SER H . 30693 1 841 . 1 1 65 65 SER HA H 1 4.645 . . 1 . . . . A 65 SER HA . 30693 1 842 . 1 1 65 65 SER HB2 H 1 3.910 . . 1 . . . . A 65 SER HB2 . 30693 1 843 . 1 1 65 65 SER HB3 H 1 3.644 . . 1 . . . . A 65 SER HB3 . 30693 1 844 . 1 1 65 65 SER C C 13 172.160 . . 1 . . . . A 65 SER C . 30693 1 845 . 1 1 65 65 SER CA C 13 61.138 . . 1 . . . . A 65 SER CA . 30693 1 846 . 1 1 65 65 SER CB C 13 64.954 . . 1 . . . . A 65 SER CB . 30693 1 847 . 1 1 65 65 SER N N 15 114.860 . . 1 . . . . A 65 SER N . 30693 1 848 . 1 1 66 66 THR H H 1 8.701 . . 1 . . . . A 66 THR H . 30693 1 849 . 1 1 66 66 THR HA H 1 5.287 . . 1 . . . . A 66 THR HA . 30693 1 850 . 1 1 66 66 THR HB H 1 4.071 . . 1 . . . . A 66 THR HB . 30693 1 851 . 1 1 66 66 THR HG21 H 1 0.956 . . 1 . . . . A 66 THR HG21 . 30693 1 852 . 1 1 66 66 THR HG22 H 1 0.956 . . 1 . . . . A 66 THR HG22 . 30693 1 853 . 1 1 66 66 THR HG23 H 1 0.956 . . 1 . . . . A 66 THR HG23 . 30693 1 854 . 1 1 66 66 THR C C 13 173.950 . . 1 . . . . A 66 THR C . 30693 1 855 . 1 1 66 66 THR CA C 13 62.424 . . 1 . . . . A 66 THR CA . 30693 1 856 . 1 1 66 66 THR CB C 13 70.143 . . 1 . . . . A 66 THR CB . 30693 1 857 . 1 1 66 66 THR CG2 C 13 21.570 . . 1 . . . . A 66 THR CG2 . 30693 1 858 . 1 1 66 66 THR N N 15 117.483 . . 1 . . . . A 66 THR N . 30693 1 859 . 1 1 67 67 LEU H H 1 9.406 . . 1 . . . . A 67 LEU H . 30693 1 860 . 1 1 67 67 LEU HA H 1 5.079 . . 1 . . . . A 67 LEU HA . 30693 1 861 . 1 1 67 67 LEU HB2 H 1 1.631 . . 2 . . . . A 67 LEU HB2 . 30693 1 862 . 1 1 67 67 LEU HB3 H 1 1.631 . . 2 . . . . A 67 LEU HB3 . 30693 1 863 . 1 1 67 67 LEU HG H 1 1.762 . . 1 . . . . A 67 LEU HG . 30693 1 864 . 1 1 67 67 LEU HD11 H 1 0.700 . . 1 . . . . A 67 LEU HD11 . 30693 1 865 . 1 1 67 67 LEU HD12 H 1 0.700 . . 1 . . . . A 67 LEU HD12 . 30693 1 866 . 1 1 67 67 LEU HD13 H 1 0.700 . . 1 . . . . A 67 LEU HD13 . 30693 1 867 . 1 1 67 67 LEU HD21 H 1 0.669 . . 1 . . . . A 67 LEU HD21 . 30693 1 868 . 1 1 67 67 LEU HD22 H 1 0.669 . . 1 . . . . A 67 LEU HD22 . 30693 1 869 . 1 1 67 67 LEU HD23 H 1 0.669 . . 1 . . . . A 67 LEU HD23 . 30693 1 870 . 1 1 67 67 LEU C C 13 175.770 . . 1 . . . . A 67 LEU C . 30693 1 871 . 1 1 67 67 LEU CA C 13 53.820 . . 1 . . . . A 67 LEU CA . 30693 1 872 . 1 1 67 67 LEU CB C 13 44.450 . . 1 . . . . A 67 LEU CB . 30693 1 873 . 1 1 67 67 LEU CG C 13 29.394 . . 1 . . . . A 67 LEU CG . 30693 1 874 . 1 1 67 67 LEU CD1 C 13 24.839 . . 1 . . . . A 67 LEU CD1 . 30693 1 875 . 1 1 67 67 LEU CD2 C 13 25.229 . . 1 . . . . A 67 LEU CD2 . 30693 1 876 . 1 1 67 67 LEU N N 15 127.783 . . 1 . . . . A 67 LEU N . 30693 1 877 . 1 1 68 68 HIS H H 1 9.236 . . 1 . . . . A 68 HIS H . 30693 1 878 . 1 1 68 68 HIS HA H 1 5.161 . . 1 . . . . A 68 HIS HA . 30693 1 879 . 1 1 68 68 HIS HB2 H 1 3.075 . . 1 . . . . A 68 HIS HB2 . 30693 1 880 . 1 1 68 68 HIS HB3 H 1 2.903 . . 1 . . . . A 68 HIS HB3 . 30693 1 881 . 1 1 68 68 HIS HD2 H 1 6.982 . . 1 . . . . A 68 HIS HD2 . 30693 1 882 . 1 1 68 68 HIS HE1 H 1 7.756 . . 1 . . . . A 68 HIS HE1 . 30693 1 883 . 1 1 68 68 HIS C C 13 173.150 . . 1 . . . . A 68 HIS C . 30693 1 884 . 1 1 68 68 HIS CA C 13 56.231 . . 1 . . . . A 68 HIS CA . 30693 1 885 . 1 1 68 68 HIS CB C 13 32.412 . . 1 . . . . A 68 HIS CB . 30693 1 886 . 1 1 68 68 HIS CD2 C 13 119.533 . . 1 . . . . A 68 HIS CD2 . 30693 1 887 . 1 1 68 68 HIS CE1 C 13 138.287 . . 1 . . . . A 68 HIS CE1 . 30693 1 888 . 1 1 68 68 HIS N N 15 119.665 . . 1 . . . . A 68 HIS N . 30693 1 889 . 1 1 69 69 LEU H H 1 8.325 . . 1 . . . . A 69 LEU H . 30693 1 890 . 1 1 69 69 LEU HA H 1 5.170 . . 1 . . . . A 69 LEU HA . 30693 1 891 . 1 1 69 69 LEU HB2 H 1 1.619 . . 1 . . . . A 69 LEU HB2 . 30693 1 892 . 1 1 69 69 LEU HB3 H 1 1.104 . . 1 . . . . A 69 LEU HB3 . 30693 1 893 . 1 1 69 69 LEU HG H 1 1.339 . . 1 . . . . A 69 LEU HG . 30693 1 894 . 1 1 69 69 LEU HD11 H 1 0.870 . . 1 . . . . A 69 LEU HD11 . 30693 1 895 . 1 1 69 69 LEU HD12 H 1 0.870 . . 1 . . . . A 69 LEU HD12 . 30693 1 896 . 1 1 69 69 LEU HD13 H 1 0.870 . . 1 . . . . A 69 LEU HD13 . 30693 1 897 . 1 1 69 69 LEU HD21 H 1 0.751 . . 1 . . . . A 69 LEU HD21 . 30693 1 898 . 1 1 69 69 LEU HD22 H 1 0.751 . . 1 . . . . A 69 LEU HD22 . 30693 1 899 . 1 1 69 69 LEU HD23 H 1 0.751 . . 1 . . . . A 69 LEU HD23 . 30693 1 900 . 1 1 69 69 LEU C C 13 175.270 . . 1 . . . . A 69 LEU C . 30693 1 901 . 1 1 69 69 LEU CA C 13 53.740 . . 1 . . . . A 69 LEU CA . 30693 1 902 . 1 1 69 69 LEU CB C 13 44.248 . . 1 . . . . A 69 LEU CB . 30693 1 903 . 1 1 69 69 LEU CG C 13 27.595 . . 1 . . . . A 69 LEU CG . 30693 1 904 . 1 1 69 69 LEU CD1 C 13 23.905 . . 1 . . . . A 69 LEU CD1 . 30693 1 905 . 1 1 69 69 LEU CD2 C 13 26.177 . . 1 . . . . A 69 LEU CD2 . 30693 1 906 . 1 1 69 69 LEU N N 15 123.929 . . 1 . . . . A 69 LEU N . 30693 1 907 . 1 1 70 70 VAL H H 1 9.170 . . 1 . . . . A 70 VAL H . 30693 1 908 . 1 1 70 70 VAL HA H 1 4.367 . . 1 . . . . A 70 VAL HA . 30693 1 909 . 1 1 70 70 VAL HB H 1 2.031 . . 1 . . . . A 70 VAL HB . 30693 1 910 . 1 1 70 70 VAL HG11 H 1 0.945 . . 1 . . . . A 70 VAL HG11 . 30693 1 911 . 1 1 70 70 VAL HG12 H 1 0.945 . . 1 . . . . A 70 VAL HG12 . 30693 1 912 . 1 1 70 70 VAL HG13 H 1 0.945 . . 1 . . . . A 70 VAL HG13 . 30693 1 913 . 1 1 70 70 VAL HG21 H 1 0.852 . . 1 . . . . A 70 VAL HG21 . 30693 1 914 . 1 1 70 70 VAL HG22 H 1 0.852 . . 1 . . . . A 70 VAL HG22 . 30693 1 915 . 1 1 70 70 VAL HG23 H 1 0.852 . . 1 . . . . A 70 VAL HG23 . 30693 1 916 . 1 1 70 70 VAL C C 13 174.000 . . 1 . . . . A 70 VAL C . 30693 1 917 . 1 1 70 70 VAL CA C 13 60.635 . . 1 . . . . A 70 VAL CA . 30693 1 918 . 1 1 70 70 VAL CB C 13 34.663 . . 1 . . . . A 70 VAL CB . 30693 1 919 . 1 1 70 70 VAL CG1 C 13 21.302 . . 1 . . . . A 70 VAL CG1 . 30693 1 920 . 1 1 70 70 VAL CG2 C 13 20.682 . . 1 . . . . A 70 VAL CG2 . 30693 1 921 . 1 1 70 70 VAL N N 15 126.779 . . 1 . . . . A 70 VAL N . 30693 1 922 . 1 1 71 71 LEU H H 1 8.087 . . 1 . . . . A 71 LEU H . 30693 1 923 . 1 1 71 71 LEU HA H 1 5.038 . . 1 . . . . A 71 LEU HA . 30693 1 924 . 1 1 71 71 LEU HB2 H 1 1.537 . . 1 . . . . A 71 LEU HB2 . 30693 1 925 . 1 1 71 71 LEU HB3 H 1 1.679 . . 1 . . . . A 71 LEU HB3 . 30693 1 926 . 1 1 71 71 LEU HG H 1 1.680 . . 1 . . . . A 71 LEU HG . 30693 1 927 . 1 1 71 71 LEU HD11 H 1 0.976 . . 1 . . . . A 71 LEU HD11 . 30693 1 928 . 1 1 71 71 LEU HD12 H 1 0.976 . . 1 . . . . A 71 LEU HD12 . 30693 1 929 . 1 1 71 71 LEU HD13 H 1 0.976 . . 1 . . . . A 71 LEU HD13 . 30693 1 930 . 1 1 71 71 LEU HD21 H 1 0.870 . . 1 . . . . A 71 LEU HD21 . 30693 1 931 . 1 1 71 71 LEU HD22 H 1 0.870 . . 1 . . . . A 71 LEU HD22 . 30693 1 932 . 1 1 71 71 LEU HD23 H 1 0.870 . . 1 . . . . A 71 LEU HD23 . 30693 1 933 . 1 1 71 71 LEU C C 13 177.830 . . 1 . . . . A 71 LEU C . 30693 1 934 . 1 1 71 71 LEU CA C 13 53.894 . . 1 . . . . A 71 LEU CA . 30693 1 935 . 1 1 71 71 LEU CB C 13 42.786 . . 1 . . . . A 71 LEU CB . 30693 1 936 . 1 1 71 71 LEU CG C 13 27.680 . . 1 . . . . A 71 LEU CG . 30693 1 937 . 1 1 71 71 LEU CD1 C 13 25.000 . . 1 . . . . A 71 LEU CD1 . 30693 1 938 . 1 1 71 71 LEU CD2 C 13 24.040 . . 1 . . . . A 71 LEU CD2 . 30693 1 939 . 1 1 71 71 LEU N N 15 123.269 . . 1 . . . . A 71 LEU N . 30693 1 940 . 1 1 72 72 ARG H H 1 8.593 . . 1 . . . . A 72 ARG H . 30693 1 941 . 1 1 72 72 ARG HA H 1 4.297 . . 1 . . . . A 72 ARG HA . 30693 1 942 . 1 1 72 72 ARG HB2 H 1 1.552 . . 1 . . . . A 72 ARG HB2 . 30693 1 943 . 1 1 72 72 ARG HB3 H 1 1.778 . . 1 . . . . A 72 ARG HB3 . 30693 1 944 . 1 1 72 72 ARG HG2 H 1 1.540 . . 2 . . . . A 72 ARG HG2 . 30693 1 945 . 1 1 72 72 ARG HG3 H 1 1.540 . . 2 . . . . A 72 ARG HG3 . 30693 1 946 . 1 1 72 72 ARG HD2 H 1 3.163 . . 2 . . . . A 72 ARG HD2 . 30693 1 947 . 1 1 72 72 ARG HD3 H 1 3.163 . . 2 . . . . A 72 ARG HD3 . 30693 1 948 . 1 1 72 72 ARG C C 13 175.350 . . 1 . . . . A 72 ARG C . 30693 1 949 . 1 1 72 72 ARG CA C 13 55.686 . . 1 . . . . A 72 ARG CA . 30693 1 950 . 1 1 72 72 ARG CB C 13 31.186 . . 1 . . . . A 72 ARG CB . 30693 1 951 . 1 1 72 72 ARG CG C 13 27.182 . . 1 . . . . A 72 ARG CG . 30693 1 952 . 1 1 72 72 ARG CD C 13 43.440 . . 1 . . . . A 72 ARG CD . 30693 1 953 . 1 1 72 72 ARG N N 15 123.594 . . 1 . . . . A 72 ARG N . 30693 1 954 . 1 1 73 73 LEU H H 1 8.306 . . 1 . . . . A 73 LEU H . 30693 1 955 . 1 1 73 73 LEU HA H 1 4.399 . . 1 . . . . A 73 LEU HA . 30693 1 956 . 1 1 73 73 LEU HB2 H 1 1.575 . . 1 . . . . A 73 LEU HB2 . 30693 1 957 . 1 1 73 73 LEU HB3 H 1 1.657 . . 1 . . . . A 73 LEU HB3 . 30693 1 958 . 1 1 73 73 LEU HG H 1 1.625 . . 1 . . . . A 73 LEU HG . 30693 1 959 . 1 1 73 73 LEU HD11 H 1 0.934 . . 1 . . . . A 73 LEU HD11 . 30693 1 960 . 1 1 73 73 LEU HD12 H 1 0.934 . . 1 . . . . A 73 LEU HD12 . 30693 1 961 . 1 1 73 73 LEU HD13 H 1 0.934 . . 1 . . . . A 73 LEU HD13 . 30693 1 962 . 1 1 73 73 LEU HD21 H 1 0.880 . . 1 . . . . A 73 LEU HD21 . 30693 1 963 . 1 1 73 73 LEU HD22 H 1 0.880 . . 1 . . . . A 73 LEU HD22 . 30693 1 964 . 1 1 73 73 LEU HD23 H 1 0.880 . . 1 . . . . A 73 LEU HD23 . 30693 1 965 . 1 1 73 73 LEU C C 13 177.450 . . 1 . . . . A 73 LEU C . 30693 1 966 . 1 1 73 73 LEU CA C 13 54.912 . . 1 . . . . A 73 LEU CA . 30693 1 967 . 1 1 73 73 LEU CB C 13 42.469 . . 1 . . . . A 73 LEU CB . 30693 1 968 . 1 1 73 73 LEU CG C 13 27.250 . . 1 . . . . A 73 LEU CG . 30693 1 969 . 1 1 73 73 LEU CD1 C 13 24.978 . . 1 . . . . A 73 LEU CD1 . 30693 1 970 . 1 1 73 73 LEU CD2 C 13 23.380 . . 1 . . . . A 73 LEU CD2 . 30693 1 971 . 1 1 73 73 LEU N N 15 124.281 . . 1 . . . . A 73 LEU N . 30693 1 972 . 1 1 74 74 ARG H H 1 8.376 . . 1 . . . . A 74 ARG H . 30693 1 973 . 1 1 74 74 ARG HA H 1 4.325 . . 1 . . . . A 74 ARG HA . 30693 1 974 . 1 1 74 74 ARG HB2 H 1 1.801 . . 1 . . . . A 74 ARG HB2 . 30693 1 975 . 1 1 74 74 ARG HB3 H 1 1.887 . . 1 . . . . A 74 ARG HB3 . 30693 1 976 . 1 1 74 74 ARG HG2 H 1 1.646 . . 1 . . . . A 74 ARG HG2 . 30693 1 977 . 1 1 74 74 ARG HG3 H 1 1.495 . . 1 . . . . A 74 ARG HG3 . 30693 1 978 . 1 1 74 74 ARG HD2 H 1 3.219 . . 2 . . . . A 74 ARG HD2 . 30693 1 979 . 1 1 74 74 ARG HD3 H 1 3.219 . . 2 . . . . A 74 ARG HD3 . 30693 1 980 . 1 1 74 74 ARG C C 13 176.870 . . 1 . . . . A 74 ARG C . 30693 1 981 . 1 1 74 74 ARG CA C 13 56.380 . . 1 . . . . A 74 ARG CA . 30693 1 982 . 1 1 74 74 ARG CB C 13 30.660 . . 1 . . . . A 74 ARG CB . 30693 1 983 . 1 1 74 74 ARG CG C 13 27.035 . . 1 . . . . A 74 ARG CG . 30693 1 984 . 1 1 74 74 ARG CD C 13 43.352 . . 1 . . . . A 74 ARG CD . 30693 1 985 . 1 1 74 74 ARG N N 15 121.714 . . 1 . . . . A 74 ARG N . 30693 1 986 . 1 1 75 75 GLY H H 1 8.421 . . 1 . . . . A 75 GLY H . 30693 1 987 . 1 1 75 75 GLY HA2 H 1 3.974 . . 2 . . . . A 75 GLY HA2 . 30693 1 988 . 1 1 75 75 GLY HA3 H 1 3.974 . . 2 . . . . A 75 GLY HA3 . 30693 1 989 . 1 1 75 75 GLY C C 13 173.680 . . 1 . . . . A 75 GLY C . 30693 1 990 . 1 1 75 75 GLY CA C 13 45.256 . . 1 . . . . A 75 GLY CA . 30693 1 991 . 1 1 75 75 GLY N N 15 110.849 . . 1 . . . . A 75 GLY N . 30693 1 992 . 1 1 76 76 GLY H H 1 7.918 . . 1 . . . . A 76 GLY H . 30693 1 993 . 1 1 76 76 GLY HA2 H 1 3.744 . . 1 . . . . A 76 GLY HA2 . 30693 1 994 . 1 1 76 76 GLY HA3 H 1 3.815 . . 1 . . . . A 76 GLY HA3 . 30693 1 995 . 1 1 76 76 GLY C C 13 179.150 . . 1 . . . . A 76 GLY C . 30693 1 996 . 1 1 76 76 GLY CA C 13 46.037 . . 1 . . . . A 76 GLY CA . 30693 1 997 . 1 1 76 76 GLY N N 15 115.088 . . 1 . . . . A 76 GLY N . 30693 1 stop_ save_