data_30696 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30696 _Entry.Title ; Solution NMR structure of Dictyostelium discoideum Skp1A (truncated) dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-10 _Entry.Accession_date 2019-12-10 _Entry.Last_release_date 2020-02-04 _Entry.Original_release_date 2020-02-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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' 30696 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 H. Kim H. W. . . 30696 2 A. Eletsky A. . . . 30696 3 C. West C. M. . . 30696 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 30696 'Ubiquitin ligase E3 SCF complex Skp1' . 30696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30696 spectral_peak_list 3 30696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 30696 '15N chemical shifts' 124 30696 '1H chemical shifts' 851 30696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-08-06 2019-12-10 update BMRB 'update entry citation' 30696 1 . . 2020-04-13 2019-12-10 original author 'original release' 30696 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6V88 . 30696 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30696 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32227851 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Skp1 Dimerization Conceals Its F-Box Protein Binding Site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 59 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1527 _Citation.Page_last 1536 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Kim H. W. . . 30696 1 2 A. Eletsky A. . . . 30696 1 3 K. Gonzalez K. J. . . 30696 1 4 H. 'van der Wel' H. . . . 30696 1 5 E. Strauch E. M. . . 30696 1 6 J. Prestegard J. H. . . 30696 1 7 C. West C. M. . . 30696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30696 _Assembly.ID 1 _Assembly.Name 'SCF ubiquitin ligase complex protein SKP1a' _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' 1 $entity_1 A A yes . . . . . . 30696 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 30696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30696 _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,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SLVKLESSDEKVFEIEKEIA CMSVTIKNMIEDIGESDSPI PLPNVTSTILEKVLDYCRHH HQHPGGSGLDDIPPYDRDFC KVDQPTLFELILAANYLDIK PLLDVTCKTVANMIRG ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12998.891 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Glycoprotein FP21 isoform A' na 30696 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 SER . 30696 1 2 3 LEU . 30696 1 3 4 VAL . 30696 1 4 5 LYS . 30696 1 5 6 LEU . 30696 1 6 7 GLU . 30696 1 7 8 SER . 30696 1 8 9 SER . 30696 1 9 10 ASP . 30696 1 10 11 GLU . 30696 1 11 12 LYS . 30696 1 12 13 VAL . 30696 1 13 14 PHE . 30696 1 14 15 GLU . 30696 1 15 16 ILE . 30696 1 16 17 GLU . 30696 1 17 18 LYS . 30696 1 18 19 GLU . 30696 1 19 20 ILE . 30696 1 20 21 ALA . 30696 1 21 22 CYS . 30696 1 22 23 MET . 30696 1 23 24 SER . 30696 1 24 25 VAL . 30696 1 25 26 THR . 30696 1 26 27 ILE . 30696 1 27 28 LYS . 30696 1 28 29 ASN . 30696 1 29 30 MET . 30696 1 30 31 ILE . 30696 1 31 32 GLU . 30696 1 32 33 ASP . 30696 1 33 34 ILE . 30696 1 34 35 GLY . 30696 1 35 36 GLU . 30696 1 36 37 SER . 30696 1 37 38 ASP . 30696 1 38 39 SER . 30696 1 39 40 PRO . 30696 1 40 41 ILE . 30696 1 41 42 PRO . 30696 1 42 43 LEU . 30696 1 43 44 PRO . 30696 1 44 45 ASN . 30696 1 45 46 VAL . 30696 1 46 47 THR . 30696 1 47 48 SER . 30696 1 48 49 THR . 30696 1 49 50 ILE . 30696 1 50 51 LEU . 30696 1 51 52 GLU . 30696 1 52 53 LYS . 30696 1 53 54 VAL . 30696 1 54 55 LEU . 30696 1 55 56 ASP . 30696 1 56 57 TYR . 30696 1 57 58 CYS . 30696 1 58 59 ARG . 30696 1 59 60 HIS . 30696 1 60 61 HIS . 30696 1 61 62 HIS . 30696 1 62 63 GLN . 30696 1 63 64 HIS . 30696 1 64 65 PRO . 30696 1 65 66 GLY . 30696 1 66 67 GLY . 30696 1 67 68 SER . 30696 1 68 69 GLY . 30696 1 69 70 LEU . 30696 1 70 71 ASP . 30696 1 71 72 ASP . 30696 1 72 73 ILE . 30696 1 73 74 PRO . 30696 1 74 75 PRO . 30696 1 75 76 TYR . 30696 1 76 77 ASP . 30696 1 77 78 ARG . 30696 1 78 79 ASP . 30696 1 79 80 PHE . 30696 1 80 81 CYS . 30696 1 81 82 LYS . 30696 1 82 83 VAL . 30696 1 83 84 ASP . 30696 1 84 85 GLN . 30696 1 85 86 PRO . 30696 1 86 87 THR . 30696 1 87 88 LEU . 30696 1 88 89 PHE . 30696 1 89 90 GLU . 30696 1 90 91 LEU . 30696 1 91 92 ILE . 30696 1 92 93 LEU . 30696 1 93 94 ALA . 30696 1 94 95 ALA . 30696 1 95 96 ASN . 30696 1 96 97 TYR . 30696 1 97 98 LEU . 30696 1 98 99 ASP . 30696 1 99 100 ILE . 30696 1 100 101 LYS . 30696 1 101 102 PRO . 30696 1 102 103 LEU . 30696 1 103 104 LEU . 30696 1 104 105 ASP . 30696 1 105 106 VAL . 30696 1 106 107 THR . 30696 1 107 108 CYS . 30696 1 108 109 LYS . 30696 1 109 110 THR . 30696 1 110 111 VAL . 30696 1 111 112 ALA . 30696 1 112 113 ASN . 30696 1 113 114 MET . 30696 1 114 115 ILE . 30696 1 115 116 ARG . 30696 1 116 117 GLY . 30696 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 . SER 1 1 30696 1 . LEU 2 2 30696 1 . VAL 3 3 30696 1 . LYS 4 4 30696 1 . LEU 5 5 30696 1 . GLU 6 6 30696 1 . SER 7 7 30696 1 . SER 8 8 30696 1 . ASP 9 9 30696 1 . GLU 10 10 30696 1 . LYS 11 11 30696 1 . VAL 12 12 30696 1 . PHE 13 13 30696 1 . GLU 14 14 30696 1 . ILE 15 15 30696 1 . GLU 16 16 30696 1 . LYS 17 17 30696 1 . GLU 18 18 30696 1 . ILE 19 19 30696 1 . ALA 20 20 30696 1 . CYS 21 21 30696 1 . MET 22 22 30696 1 . SER 23 23 30696 1 . VAL 24 24 30696 1 . THR 25 25 30696 1 . ILE 26 26 30696 1 . LYS 27 27 30696 1 . ASN 28 28 30696 1 . MET 29 29 30696 1 . ILE 30 30 30696 1 . GLU 31 31 30696 1 . ASP 32 32 30696 1 . ILE 33 33 30696 1 . GLY 34 34 30696 1 . GLU 35 35 30696 1 . SER 36 36 30696 1 . ASP 37 37 30696 1 . SER 38 38 30696 1 . PRO 39 39 30696 1 . ILE 40 40 30696 1 . PRO 41 41 30696 1 . LEU 42 42 30696 1 . PRO 43 43 30696 1 . ASN 44 44 30696 1 . VAL 45 45 30696 1 . THR 46 46 30696 1 . SER 47 47 30696 1 . THR 48 48 30696 1 . ILE 49 49 30696 1 . LEU 50 50 30696 1 . GLU 51 51 30696 1 . LYS 52 52 30696 1 . VAL 53 53 30696 1 . LEU 54 54 30696 1 . ASP 55 55 30696 1 . TYR 56 56 30696 1 . CYS 57 57 30696 1 . ARG 58 58 30696 1 . HIS 59 59 30696 1 . HIS 60 60 30696 1 . HIS 61 61 30696 1 . GLN 62 62 30696 1 . HIS 63 63 30696 1 . PRO 64 64 30696 1 . GLY 65 65 30696 1 . GLY 66 66 30696 1 . SER 67 67 30696 1 . GLY 68 68 30696 1 . LEU 69 69 30696 1 . ASP 70 70 30696 1 . ASP 71 71 30696 1 . ILE 72 72 30696 1 . PRO 73 73 30696 1 . PRO 74 74 30696 1 . TYR 75 75 30696 1 . ASP 76 76 30696 1 . ARG 77 77 30696 1 . ASP 78 78 30696 1 . PHE 79 79 30696 1 . CYS 80 80 30696 1 . LYS 81 81 30696 1 . VAL 82 82 30696 1 . ASP 83 83 30696 1 . GLN 84 84 30696 1 . PRO 85 85 30696 1 . THR 86 86 30696 1 . LEU 87 87 30696 1 . PHE 88 88 30696 1 . GLU 89 89 30696 1 . LEU 90 90 30696 1 . ILE 91 91 30696 1 . LEU 92 92 30696 1 . ALA 93 93 30696 1 . ALA 94 94 30696 1 . ASN 95 95 30696 1 . TYR 96 96 30696 1 . LEU 97 97 30696 1 . ASP 98 98 30696 1 . ILE 99 99 30696 1 . LYS 100 100 30696 1 . PRO 101 101 30696 1 . LEU 102 102 30696 1 . LEU 103 103 30696 1 . ASP 104 104 30696 1 . VAL 105 105 30696 1 . THR 106 106 30696 1 . CYS 107 107 30696 1 . LYS 108 108 30696 1 . THR 109 109 30696 1 . VAL 110 110 30696 1 . ALA 111 111 30696 1 . ASN 112 112 30696 1 . MET 113 113 30696 1 . ILE 114 114 30696 1 . ARG 115 115 30696 1 . GLY 116 116 30696 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 30696 _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 . 44689 organism . 'Dictyostelium discoideum' 'Slime mold' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'fpaA, fp21A, fpa1, fpa1A, skp1A, DDB_G0269230' . 30696 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 30696 _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 . . . . . . . . . . 30696 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30696 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-90% 13C; U-90% 15N] DDSkp1, 50 mM MES, 50 mM NaCl, 5 mM DTT, 0.05 % sodium azide, 90% H2O/10% D2O' _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 DDSkp1 '[U-90% 13C; U-90% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30696 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 30696 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30696 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 30696 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30696 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 30696 _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 30696 1 pH 6.0 . pH 30696 1 pressure 1 . atm 30696 1 temperature 308 . K 30696 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30696 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30696 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30696 1 . processing 30696 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30696 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30696 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30696 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30696 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30696 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30696 3 . 'data analysis' 30696 3 . 'peak picking' 30696 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30696 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30696 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30696 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30696 _Software.ID 5 _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' . . 30696 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30696 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30696 _Software.ID 6 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30696 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30696 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30696 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30696 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30696 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30696 _Software.ID 8 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30696 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30696 8 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 30696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30696 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30696 _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 NEO' . 800 . . . 30696 1 2 NMR_spectrometer_2 Agilent VNMRS . 600 . . . 30696 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 30696 _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 [15N, 1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 2 '2D [13C, 1H] CT-HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 3 '2D [13C, 1H] CT-HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 4 '3D 13C/15N-edited [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 5 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 6 '3D (H)CCH-COSY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 7 '3D (H)CCH-COSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 8 '3D (H)CCH-TOCSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30696 1 9 '3D 13C/15N-filtered 13C/15N-edited [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 1 10 '2D long-range [15N, 1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 1 14 '3D (HCA)CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30696 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 30696 _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 . . . . . 30696 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30696 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30696 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 30696 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D [15N, 1H]-HSQC' . . . 30696 1 2 '2D [13C, 1H] CT-HSQC aliphatic' . . . 30696 1 3 '2D [13C, 1H] CT-HSQC aromatic' . . . 30696 1 4 '3D 13C/15N-edited [1H,1H] NOESY' . . . 30696 1 5 '3D TROSY-HNCACB' . . . 30696 1 6 '3D (H)CCH-COSY aromatic' . . . 30696 1 7 '3D (H)CCH-COSY aliphatic' . . . 30696 1 8 '3D (H)CCH-TOCSY aliphatic' . . . 30696 1 9 '3D 13C/15N-filtered 13C/15N-edited [1H,1H] NOESY' . . . 30696 1 10 '2D long-range [15N, 1H]-HSQC' . . . 30696 1 11 '3D HNCO' . . . 30696 1 12 '3D HBHA(CO)NH' . . . 30696 1 13 '3D CBCA(CO)NH' . . . 30696 1 14 '3D (HCA)CONH' . . . 30696 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER HA H 1 4.202 0.000 . 1 . . . . A 2 SER HA . 30696 1 2 . 1 . 1 1 1 SER HB2 H 1 4.021 0.000 . 2 . . . . A 2 SER HB2 . 30696 1 3 . 1 . 1 1 1 SER HB3 H 1 4.021 0.000 . 2 . . . . A 2 SER HB3 . 30696 1 4 . 1 . 1 1 1 SER C C 13 170.660 0.000 . 1 . . . . A 2 SER C . 30696 1 5 . 1 . 1 1 1 SER CA C 13 57.222 0.000 . 1 . . . . A 2 SER CA . 30696 1 6 . 1 . 1 1 1 SER CB C 13 63.099 0.000 . 1 . . . . A 2 SER CB . 30696 1 7 . 1 . 1 2 2 LEU H H 1 8.752 0.000 . 1 . . . . A 3 LEU H . 30696 1 8 . 1 . 1 2 2 LEU HA H 1 4.689 0.000 . 1 . . . . A 3 LEU HA . 30696 1 9 . 1 . 1 2 2 LEU HB2 H 1 1.216 0.000 . 2 . . . . A 3 LEU HB2 . 30696 1 10 . 1 . 1 2 2 LEU HB3 H 1 1.696 0.000 . 2 . . . . A 3 LEU HB3 . 30696 1 11 . 1 . 1 2 2 LEU HG H 1 1.635 0.000 . 1 . . . . A 3 LEU HG . 30696 1 12 . 1 . 1 2 2 LEU HD11 H 1 0.823 0.000 . 1 . . . . A 3 LEU HD11 . 30696 1 13 . 1 . 1 2 2 LEU HD12 H 1 0.823 0.000 . 1 . . . . A 3 LEU HD12 . 30696 1 14 . 1 . 1 2 2 LEU HD13 H 1 0.823 0.000 . 1 . . . . A 3 LEU HD13 . 30696 1 15 . 1 . 1 2 2 LEU HD21 H 1 0.717 0.000 . 1 . . . . A 3 LEU HD21 . 30696 1 16 . 1 . 1 2 2 LEU HD22 H 1 0.717 0.000 . 1 . . . . A 3 LEU HD22 . 30696 1 17 . 1 . 1 2 2 LEU HD23 H 1 0.717 0.000 . 1 . . . . A 3 LEU HD23 . 30696 1 18 . 1 . 1 2 2 LEU C C 13 176.857 0.000 . 1 . . . . A 3 LEU C . 30696 1 19 . 1 . 1 2 2 LEU CA C 13 54.655 0.000 . 1 . . . . A 3 LEU CA . 30696 1 20 . 1 . 1 2 2 LEU CB C 13 43.447 0.000 . 1 . . . . A 3 LEU CB . 30696 1 21 . 1 . 1 2 2 LEU CG C 13 26.862 0.000 . 1 . . . . A 3 LEU CG . 30696 1 22 . 1 . 1 2 2 LEU CD1 C 13 25.335 0.000 . 1 . . . . A 3 LEU CD1 . 30696 1 23 . 1 . 1 2 2 LEU CD2 C 13 23.073 0.000 . 1 . . . . A 3 LEU CD2 . 30696 1 24 . 1 . 1 2 2 LEU N N 15 122.211 0.000 . 1 . . . . A 3 LEU N . 30696 1 25 . 1 . 1 3 3 VAL H H 1 9.072 0.000 . 1 . . . . A 4 VAL H . 30696 1 26 . 1 . 1 3 3 VAL HA H 1 4.407 0.000 . 1 . . . . A 4 VAL HA . 30696 1 27 . 1 . 1 3 3 VAL HB H 1 1.987 0.000 . 1 . . . . A 4 VAL HB . 30696 1 28 . 1 . 1 3 3 VAL HG11 H 1 0.840 0.000 . 2 . . . . A 4 VAL HG11 . 30696 1 29 . 1 . 1 3 3 VAL HG12 H 1 0.840 0.000 . 2 . . . . A 4 VAL HG12 . 30696 1 30 . 1 . 1 3 3 VAL HG13 H 1 0.840 0.000 . 2 . . . . A 4 VAL HG13 . 30696 1 31 . 1 . 1 3 3 VAL HG21 H 1 0.819 0.000 . 2 . . . . A 4 VAL HG21 . 30696 1 32 . 1 . 1 3 3 VAL HG22 H 1 0.819 0.000 . 2 . . . . A 4 VAL HG22 . 30696 1 33 . 1 . 1 3 3 VAL HG23 H 1 0.819 0.000 . 2 . . . . A 4 VAL HG23 . 30696 1 34 . 1 . 1 3 3 VAL C C 13 173.563 0.000 . 1 . . . . A 4 VAL C . 30696 1 35 . 1 . 1 3 3 VAL CA C 13 60.207 0.000 . 1 . . . . A 4 VAL CA . 30696 1 36 . 1 . 1 3 3 VAL CB C 13 34.356 0.000 . 1 . . . . A 4 VAL CB . 30696 1 37 . 1 . 1 3 3 VAL CG1 C 13 21.147 0.000 . 1 . . . . A 4 VAL CG1 . 30696 1 38 . 1 . 1 3 3 VAL CG2 C 13 20.447 0.000 . 1 . . . . A 4 VAL CG2 . 30696 1 39 . 1 . 1 3 3 VAL N N 15 120.143 0.000 . 1 . . . . A 4 VAL N . 30696 1 40 . 1 . 1 4 4 LYS H H 1 8.449 0.000 . 1 . . . . A 5 LYS H . 30696 1 41 . 1 . 1 4 4 LYS HA H 1 5.326 0.000 . 1 . . . . A 5 LYS HA . 30696 1 42 . 1 . 1 4 4 LYS HB2 H 1 1.531 0.000 . 1 . . . . A 5 LYS HB2 . 30696 1 43 . 1 . 1 4 4 LYS HB3 H 1 1.376 0.000 . 1 . . . . A 5 LYS HB3 . 30696 1 44 . 1 . 1 4 4 LYS HG2 H 1 1.162 0.000 . 2 . . . . A 5 LYS HG2 . 30696 1 45 . 1 . 1 4 4 LYS HG3 H 1 1.486 0.000 . 2 . . . . A 5 LYS HG3 . 30696 1 46 . 1 . 1 4 4 LYS HD2 H 1 1.496 0.000 . 1 . . . . A 5 LYS HD2 . 30696 1 47 . 1 . 1 4 4 LYS HD3 H 1 1.594 0.000 . 1 . . . . A 5 LYS HD3 . 30696 1 48 . 1 . 1 4 4 LYS HE2 H 1 2.893 0.000 . 2 . . . . A 5 LYS HE2 . 30696 1 49 . 1 . 1 4 4 LYS HE3 H 1 2.893 0.000 . 2 . . . . A 5 LYS HE3 . 30696 1 50 . 1 . 1 4 4 LYS C C 13 175.204 0.000 . 1 . . . . A 5 LYS C . 30696 1 51 . 1 . 1 4 4 LYS CA C 13 54.748 0.000 . 1 . . . . A 5 LYS CA . 30696 1 52 . 1 . 1 4 4 LYS CB C 13 34.805 0.000 . 1 . . . . A 5 LYS CB . 30696 1 53 . 1 . 1 4 4 LYS CG C 13 25.595 0.000 . 1 . . . . A 5 LYS CG . 30696 1 54 . 1 . 1 4 4 LYS CD C 13 29.708 0.000 . 1 . . . . A 5 LYS CD . 30696 1 55 . 1 . 1 4 4 LYS CE C 13 41.972 0.000 . 1 . . . . A 5 LYS CE . 30696 1 56 . 1 . 1 4 4 LYS N N 15 122.239 0.000 . 1 . . . . A 5 LYS N . 30696 1 57 . 1 . 1 5 5 LEU H H 1 9.140 0.000 . 1 . . . . A 6 LEU H . 30696 1 58 . 1 . 1 5 5 LEU HA H 1 5.121 0.000 . 1 . . . . A 6 LEU HA . 30696 1 59 . 1 . 1 5 5 LEU HB2 H 1 1.426 0.000 . 1 . . . . A 6 LEU HB2 . 30696 1 60 . 1 . 1 5 5 LEU HB3 H 1 1.775 0.000 . 1 . . . . A 6 LEU HB3 . 30696 1 61 . 1 . 1 5 5 LEU HG H 1 1.696 0.000 . 1 . . . . A 6 LEU HG . 30696 1 62 . 1 . 1 5 5 LEU HD11 H 1 0.852 0.000 . 2 . . . . A 6 LEU HD11 . 30696 1 63 . 1 . 1 5 5 LEU HD12 H 1 0.852 0.000 . 2 . . . . A 6 LEU HD12 . 30696 1 64 . 1 . 1 5 5 LEU HD13 H 1 0.852 0.000 . 2 . . . . A 6 LEU HD13 . 30696 1 65 . 1 . 1 5 5 LEU HD21 H 1 0.884 0.000 . 2 . . . . A 6 LEU HD21 . 30696 1 66 . 1 . 1 5 5 LEU HD22 H 1 0.884 0.000 . 2 . . . . A 6 LEU HD22 . 30696 1 67 . 1 . 1 5 5 LEU HD23 H 1 0.884 0.000 . 2 . . . . A 6 LEU HD23 . 30696 1 68 . 1 . 1 5 5 LEU C C 13 175.112 0.000 . 1 . . . . A 6 LEU C . 30696 1 69 . 1 . 1 5 5 LEU CA C 13 52.682 0.000 . 1 . . . . A 6 LEU CA . 30696 1 70 . 1 . 1 5 5 LEU CB C 13 45.220 0.000 . 1 . . . . A 6 LEU CB . 30696 1 71 . 1 . 1 5 5 LEU CG C 13 26.878 0.000 . 1 . . . . A 6 LEU CG . 30696 1 72 . 1 . 1 5 5 LEU CD1 C 13 26.799 0.000 . 1 . . . . A 6 LEU CD1 . 30696 1 73 . 1 . 1 5 5 LEU CD2 C 13 23.565 0.000 . 1 . . . . A 6 LEU CD2 . 30696 1 74 . 1 . 1 5 5 LEU N N 15 122.649 0.000 . 1 . . . . A 6 LEU N . 30696 1 75 . 1 . 1 6 6 GLU H H 1 8.896 0.000 . 1 . . . . A 7 GLU H . 30696 1 76 . 1 . 1 6 6 GLU HA H 1 5.616 0.000 . 1 . . . . A 7 GLU HA . 30696 1 77 . 1 . 1 6 6 GLU HB2 H 1 1.582 0.000 . 1 . . . . A 7 GLU HB2 . 30696 1 78 . 1 . 1 6 6 GLU HB3 H 1 1.829 0.000 . 1 . . . . A 7 GLU HB3 . 30696 1 79 . 1 . 1 6 6 GLU HG2 H 1 2.599 0.000 . 1 . . . . A 7 GLU HG2 . 30696 1 80 . 1 . 1 6 6 GLU HG3 H 1 1.968 0.000 . 1 . . . . A 7 GLU HG3 . 30696 1 81 . 1 . 1 6 6 GLU C C 13 174.916 0.000 . 1 . . . . A 7 GLU C . 30696 1 82 . 1 . 1 6 6 GLU CA C 13 53.617 0.000 . 1 . . . . A 7 GLU CA . 30696 1 83 . 1 . 1 6 6 GLU CB C 13 32.331 0.000 . 1 . . . . A 7 GLU CB . 30696 1 84 . 1 . 1 6 6 GLU CG C 13 34.221 0.000 . 1 . . . . A 7 GLU CG . 30696 1 85 . 1 . 1 6 6 GLU N N 15 123.720 0.000 . 1 . . . . A 7 GLU N . 30696 1 86 . 1 . 1 7 7 SER H H 1 9.053 0.000 . 1 . . . . A 8 SER H . 30696 1 87 . 1 . 1 7 7 SER HA H 1 4.653 0.000 . 1 . . . . A 8 SER HA . 30696 1 88 . 1 . 1 7 7 SER HB2 H 1 3.813 0.000 . 2 . . . . A 8 SER HB2 . 30696 1 89 . 1 . 1 7 7 SER HB3 H 1 4.754 0.000 . 2 . . . . A 8 SER HB3 . 30696 1 90 . 1 . 1 7 7 SER HG H 1 5.641 0.000 . 1 . . . . A 8 SER HG . 30696 1 91 . 1 . 1 7 7 SER C C 13 176.836 0.000 . 1 . . . . A 8 SER C . 30696 1 92 . 1 . 1 7 7 SER CA C 13 58.599 0.000 . 1 . . . . A 8 SER CA . 30696 1 93 . 1 . 1 7 7 SER CB C 13 65.192 0.000 . 1 . . . . A 8 SER CB . 30696 1 94 . 1 . 1 7 7 SER N N 15 120.186 0.000 . 1 . . . . A 8 SER N . 30696 1 95 . 1 . 1 8 8 SER H H 1 9.388 0.000 . 1 . . . . A 9 SER H . 30696 1 96 . 1 . 1 8 8 SER HA H 1 4.073 0.000 . 1 . . . . A 9 SER HA . 30696 1 97 . 1 . 1 8 8 SER HB2 H 1 3.769 0.000 . 2 . . . . A 9 SER HB2 . 30696 1 98 . 1 . 1 8 8 SER HB3 H 1 3.941 0.000 . 2 . . . . A 9 SER HB3 . 30696 1 99 . 1 . 1 8 8 SER C C 13 175.006 0.000 . 1 . . . . A 9 SER C . 30696 1 100 . 1 . 1 8 8 SER CA C 13 61.553 0.000 . 1 . . . . A 9 SER CA . 30696 1 101 . 1 . 1 8 8 SER CB C 13 62.925 0.000 . 1 . . . . A 9 SER CB . 30696 1 102 . 1 . 1 8 8 SER N N 15 118.786 0.000 . 1 . . . . A 9 SER N . 30696 1 103 . 1 . 1 9 9 ASP H H 1 9.246 0.000 . 1 . . . . A 10 ASP H . 30696 1 104 . 1 . 1 9 9 ASP HA H 1 4.765 0.000 . 1 . . . . A 10 ASP HA . 30696 1 105 . 1 . 1 9 9 ASP HB2 H 1 2.727 0.000 . 2 . . . . A 10 ASP HB2 . 30696 1 106 . 1 . 1 9 9 ASP HB3 H 1 3.100 0.000 . 2 . . . . A 10 ASP HB3 . 30696 1 107 . 1 . 1 9 9 ASP C C 13 174.250 0.000 . 1 . . . . A 10 ASP C . 30696 1 108 . 1 . 1 9 9 ASP CA C 13 52.574 0.000 . 1 . . . . A 10 ASP CA . 30696 1 109 . 1 . 1 9 9 ASP CB C 13 37.217 0.000 . 1 . . . . A 10 ASP CB . 30696 1 110 . 1 . 1 9 9 ASP N N 15 117.007 0.000 . 1 . . . . A 10 ASP N . 30696 1 111 . 1 . 1 10 10 GLU H H 1 8.037 0.000 . 1 . . . . A 11 GLU H . 30696 1 112 . 1 . 1 10 10 GLU HA H 1 3.849 0.000 . 1 . . . . A 11 GLU HA . 30696 1 113 . 1 . 1 10 10 GLU HB2 H 1 2.174 0.000 . 2 . . . . A 11 GLU HB2 . 30696 1 114 . 1 . 1 10 10 GLU HB3 H 1 2.274 0.000 . 2 . . . . A 11 GLU HB3 . 30696 1 115 . 1 . 1 10 10 GLU HG2 H 1 2.124 0.000 . 2 . . . . A 11 GLU HG2 . 30696 1 116 . 1 . 1 10 10 GLU HG3 H 1 2.124 0.000 . 2 . . . . A 11 GLU HG3 . 30696 1 117 . 1 . 1 10 10 GLU C C 13 174.865 0.000 . 1 . . . . A 11 GLU C . 30696 1 118 . 1 . 1 10 10 GLU CA C 13 57.733 0.000 . 1 . . . . A 11 GLU CA . 30696 1 119 . 1 . 1 10 10 GLU CB C 13 25.884 0.000 . 1 . . . . A 11 GLU CB . 30696 1 120 . 1 . 1 10 10 GLU CG C 13 36.584 0.000 . 1 . . . . A 11 GLU CG . 30696 1 121 . 1 . 1 10 10 GLU N N 15 112.358 0.000 . 1 . . . . A 11 GLU N . 30696 1 122 . 1 . 1 11 11 LYS H H 1 7.234 0.000 . 1 . . . . A 12 LYS H . 30696 1 123 . 1 . 1 11 11 LYS HA H 1 4.518 0.000 . 1 . . . . A 12 LYS HA . 30696 1 124 . 1 . 1 11 11 LYS HB2 H 1 1.726 0.000 . 1 . . . . A 12 LYS HB2 . 30696 1 125 . 1 . 1 11 11 LYS HB3 H 1 1.647 0.000 . 1 . . . . A 12 LYS HB3 . 30696 1 126 . 1 . 1 11 11 LYS HG2 H 1 1.024 0.000 . 2 . . . . A 12 LYS HG2 . 30696 1 127 . 1 . 1 11 11 LYS HG3 H 1 1.246 0.000 . 2 . . . . A 12 LYS HG3 . 30696 1 128 . 1 . 1 11 11 LYS HD2 H 1 1.551 0.000 . 2 . . . . A 12 LYS HD2 . 30696 1 129 . 1 . 1 11 11 LYS HD3 H 1 1.551 0.000 . 2 . . . . A 12 LYS HD3 . 30696 1 130 . 1 . 1 11 11 LYS HE2 H 1 2.797 0.000 . 2 . . . . A 12 LYS HE2 . 30696 1 131 . 1 . 1 11 11 LYS HE3 H 1 2.850 0.000 . 2 . . . . A 12 LYS HE3 . 30696 1 132 . 1 . 1 11 11 LYS C C 13 174.909 0.000 . 1 . . . . A 12 LYS C . 30696 1 133 . 1 . 1 11 11 LYS CA C 13 54.874 0.000 . 1 . . . . A 12 LYS CA . 30696 1 134 . 1 . 1 11 11 LYS CB C 13 33.251 0.000 . 1 . . . . A 12 LYS CB . 30696 1 135 . 1 . 1 11 11 LYS CG C 13 25.158 0.000 . 1 . . . . A 12 LYS CG . 30696 1 136 . 1 . 1 11 11 LYS CD C 13 28.557 0.000 . 1 . . . . A 12 LYS CD . 30696 1 137 . 1 . 1 11 11 LYS CE C 13 42.294 0.000 . 1 . . . . A 12 LYS CE . 30696 1 138 . 1 . 1 11 11 LYS N N 15 118.647 0.000 . 1 . . . . A 12 LYS N . 30696 1 139 . 1 . 1 12 12 VAL H H 1 8.167 0.000 . 1 . . . . A 13 VAL H . 30696 1 140 . 1 . 1 12 12 VAL HA H 1 4.935 0.000 . 1 . . . . A 13 VAL HA . 30696 1 141 . 1 . 1 12 12 VAL HB H 1 1.797 0.000 . 1 . . . . A 13 VAL HB . 30696 1 142 . 1 . 1 12 12 VAL HG11 H 1 0.801 0.000 . 1 . . . . A 13 VAL HG11 . 30696 1 143 . 1 . 1 12 12 VAL HG12 H 1 0.801 0.000 . 1 . . . . A 13 VAL HG12 . 30696 1 144 . 1 . 1 12 12 VAL HG13 H 1 0.801 0.000 . 1 . . . . A 13 VAL HG13 . 30696 1 145 . 1 . 1 12 12 VAL HG21 H 1 0.825 0.000 . 1 . . . . A 13 VAL HG21 . 30696 1 146 . 1 . 1 12 12 VAL HG22 H 1 0.825 0.000 . 1 . . . . A 13 VAL HG22 . 30696 1 147 . 1 . 1 12 12 VAL HG23 H 1 0.825 0.000 . 1 . . . . A 13 VAL HG23 . 30696 1 148 . 1 . 1 12 12 VAL C C 13 175.712 0.000 . 1 . . . . A 13 VAL C . 30696 1 149 . 1 . 1 12 12 VAL CA C 13 61.377 0.000 . 1 . . . . A 13 VAL CA . 30696 1 150 . 1 . 1 12 12 VAL CB C 13 32.931 0.000 . 1 . . . . A 13 VAL CB . 30696 1 151 . 1 . 1 12 12 VAL CG1 C 13 21.566 0.000 . 1 . . . . A 13 VAL CG1 . 30696 1 152 . 1 . 1 12 12 VAL CG2 C 13 21.801 0.000 . 1 . . . . A 13 VAL CG2 . 30696 1 153 . 1 . 1 12 12 VAL N N 15 122.755 0.000 . 1 . . . . A 13 VAL N . 30696 1 154 . 1 . 1 13 13 PHE H H 1 9.477 0.000 . 1 . . . . A 14 PHE H . 30696 1 155 . 1 . 1 13 13 PHE HA H 1 4.593 0.000 . 1 . . . . A 14 PHE HA . 30696 1 156 . 1 . 1 13 13 PHE HB2 H 1 2.657 0.000 . 2 . . . . A 14 PHE HB2 . 30696 1 157 . 1 . 1 13 13 PHE HB3 H 1 2.831 0.000 . 2 . . . . A 14 PHE HB3 . 30696 1 158 . 1 . 1 13 13 PHE HD1 H 1 7.268 0.000 . 1 . . . . A 14 PHE HD1 . 30696 1 159 . 1 . 1 13 13 PHE HD2 H 1 7.268 0.000 . 1 . . . . A 14 PHE HD2 . 30696 1 160 . 1 . 1 13 13 PHE HE1 H 1 7.173 0.000 . 1 . . . . A 14 PHE HE1 . 30696 1 161 . 1 . 1 13 13 PHE HE2 H 1 7.173 0.000 . 1 . . . . A 14 PHE HE2 . 30696 1 162 . 1 . 1 13 13 PHE HZ H 1 7.382 0.000 . 1 . . . . A 14 PHE HZ . 30696 1 163 . 1 . 1 13 13 PHE C C 13 174.262 0.000 . 1 . . . . A 14 PHE C . 30696 1 164 . 1 . 1 13 13 PHE CA C 13 56.557 0.000 . 1 . . . . A 14 PHE CA . 30696 1 165 . 1 . 1 13 13 PHE CB C 13 42.056 0.000 . 1 . . . . A 14 PHE CB . 30696 1 166 . 1 . 1 13 13 PHE CD1 C 13 132.746 0.000 . 1 . . . . A 14 PHE CD1 . 30696 1 167 . 1 . 1 13 13 PHE CD2 C 13 132.746 0.000 . 1 . . . . A 14 PHE CD2 . 30696 1 168 . 1 . 1 13 13 PHE CE1 C 13 130.163 0.000 . 1 . . . . A 14 PHE CE1 . 30696 1 169 . 1 . 1 13 13 PHE CE2 C 13 130.163 0.000 . 1 . . . . A 14 PHE CE2 . 30696 1 170 . 1 . 1 13 13 PHE CZ C 13 129.572 0.000 . 1 . . . . A 14 PHE CZ . 30696 1 171 . 1 . 1 13 13 PHE N N 15 127.718 0.000 . 1 . . . . A 14 PHE N . 30696 1 172 . 1 . 1 14 14 GLU H H 1 8.666 0.000 . 1 . . . . A 15 GLU H . 30696 1 173 . 1 . 1 14 14 GLU HA H 1 5.335 0.000 . 1 . . . . A 15 GLU HA . 30696 1 174 . 1 . 1 14 14 GLU HB2 H 1 1.849 0.000 . 1 . . . . A 15 GLU HB2 . 30696 1 175 . 1 . 1 14 14 GLU HB3 H 1 1.956 0.000 . 1 . . . . A 15 GLU HB3 . 30696 1 176 . 1 . 1 14 14 GLU HG2 H 1 2.007 0.000 . 1 . . . . A 15 GLU HG2 . 30696 1 177 . 1 . 1 14 14 GLU HG3 H 1 2.114 0.000 . 1 . . . . A 15 GLU HG3 . 30696 1 178 . 1 . 1 14 14 GLU C C 13 175.495 0.000 . 1 . . . . A 15 GLU C . 30696 1 179 . 1 . 1 14 14 GLU CA C 13 54.852 0.000 . 1 . . . . A 15 GLU CA . 30696 1 180 . 1 . 1 14 14 GLU CB C 13 31.786 0.000 . 1 . . . . A 15 GLU CB . 30696 1 181 . 1 . 1 14 14 GLU CG C 13 37.260 0.000 . 1 . . . . A 15 GLU CG . 30696 1 182 . 1 . 1 14 14 GLU N N 15 122.406 0.000 . 1 . . . . A 15 GLU N . 30696 1 183 . 1 . 1 15 15 ILE H H 1 9.033 0.000 . 1 . . . . A 16 ILE H . 30696 1 184 . 1 . 1 15 15 ILE HA H 1 4.684 0.000 . 1 . . . . A 16 ILE HA . 30696 1 185 . 1 . 1 15 15 ILE HB H 1 1.759 0.000 . 1 . . . . A 16 ILE HB . 30696 1 186 . 1 . 1 15 15 ILE HG12 H 1 1.325 0.000 . 1 . . . . A 16 ILE HG12 . 30696 1 187 . 1 . 1 15 15 ILE HG13 H 1 1.691 0.000 . 1 . . . . A 16 ILE HG13 . 30696 1 188 . 1 . 1 15 15 ILE HG21 H 1 0.832 0.000 . 1 . . . . A 16 ILE HG21 . 30696 1 189 . 1 . 1 15 15 ILE HG22 H 1 0.832 0.000 . 1 . . . . A 16 ILE HG22 . 30696 1 190 . 1 . 1 15 15 ILE HG23 H 1 0.832 0.000 . 1 . . . . A 16 ILE HG23 . 30696 1 191 . 1 . 1 15 15 ILE HD11 H 1 0.963 0.000 . 1 . . . . A 16 ILE HD11 . 30696 1 192 . 1 . 1 15 15 ILE HD12 H 1 0.963 0.000 . 1 . . . . A 16 ILE HD12 . 30696 1 193 . 1 . 1 15 15 ILE HD13 H 1 0.963 0.000 . 1 . . . . A 16 ILE HD13 . 30696 1 194 . 1 . 1 15 15 ILE C C 13 172.545 0.000 . 1 . . . . A 16 ILE C . 30696 1 195 . 1 . 1 15 15 ILE CA C 13 58.304 0.000 . 1 . . . . A 16 ILE CA . 30696 1 196 . 1 . 1 15 15 ILE CB C 13 42.702 0.000 . 1 . . . . A 16 ILE CB . 30696 1 197 . 1 . 1 15 15 ILE CG1 C 13 28.216 0.000 . 1 . . . . A 16 ILE CG1 . 30696 1 198 . 1 . 1 15 15 ILE CG2 C 13 17.262 0.000 . 1 . . . . A 16 ILE CG2 . 30696 1 199 . 1 . 1 15 15 ILE CD1 C 13 15.169 0.000 . 1 . . . . A 16 ILE CD1 . 30696 1 200 . 1 . 1 15 15 ILE N N 15 123.009 0.000 . 1 . . . . A 16 ILE N . 30696 1 201 . 1 . 1 16 16 GLU H H 1 9.136 0.000 . 1 . . . . A 17 GLU H . 30696 1 202 . 1 . 1 16 16 GLU HA H 1 4.269 0.000 . 1 . . . . A 17 GLU HA . 30696 1 203 . 1 . 1 16 16 GLU HB2 H 1 1.857 0.000 . 1 . . . . A 17 GLU HB2 . 30696 1 204 . 1 . 1 16 16 GLU HB3 H 1 2.110 0.000 . 1 . . . . A 17 GLU HB3 . 30696 1 205 . 1 . 1 16 16 GLU HG2 H 1 2.353 0.000 . 2 . . . . A 17 GLU HG2 . 30696 1 206 . 1 . 1 16 16 GLU HG3 H 1 2.496 0.000 . 2 . . . . A 17 GLU HG3 . 30696 1 207 . 1 . 1 16 16 GLU C C 13 178.305 0.000 . 1 . . . . A 17 GLU C . 30696 1 208 . 1 . 1 16 16 GLU CA C 13 58.361 0.000 . 1 . . . . A 17 GLU CA . 30696 1 209 . 1 . 1 16 16 GLU CB C 13 29.288 0.000 . 1 . . . . A 17 GLU CB . 30696 1 210 . 1 . 1 16 16 GLU CG C 13 36.758 0.000 . 1 . . . . A 17 GLU CG . 30696 1 211 . 1 . 1 16 16 GLU N N 15 126.830 0.000 . 1 . . . . A 17 GLU N . 30696 1 212 . 1 . 1 17 17 LYS H H 1 8.939 0.000 . 1 . . . . A 18 LYS H . 30696 1 213 . 1 . 1 17 17 LYS HA H 1 3.698 0.000 . 1 . . . . A 18 LYS HA . 30696 1 214 . 1 . 1 17 17 LYS HB2 H 1 1.867 0.000 . 2 . . . . A 18 LYS HB2 . 30696 1 215 . 1 . 1 17 17 LYS HB3 H 1 1.867 0.000 . 2 . . . . A 18 LYS HB3 . 30696 1 216 . 1 . 1 17 17 LYS HG2 H 1 1.212 0.000 . 2 . . . . A 18 LYS HG2 . 30696 1 217 . 1 . 1 17 17 LYS HG3 H 1 1.358 0.000 . 2 . . . . A 18 LYS HG3 . 30696 1 218 . 1 . 1 17 17 LYS HD2 H 1 1.638 0.000 . 2 . . . . A 18 LYS HD2 . 30696 1 219 . 1 . 1 17 17 LYS HD3 H 1 1.638 0.000 . 2 . . . . A 18 LYS HD3 . 30696 1 220 . 1 . 1 17 17 LYS HE2 H 1 2.813 0.000 . 2 . . . . A 18 LYS HE2 . 30696 1 221 . 1 . 1 17 17 LYS HE3 H 1 2.866 0.000 . 2 . . . . A 18 LYS HE3 . 30696 1 222 . 1 . 1 17 17 LYS C C 13 177.666 0.000 . 1 . . . . A 18 LYS C . 30696 1 223 . 1 . 1 17 17 LYS CA C 13 60.987 0.000 . 1 . . . . A 18 LYS CA . 30696 1 224 . 1 . 1 17 17 LYS CB C 13 32.719 0.000 . 1 . . . . A 18 LYS CB . 30696 1 225 . 1 . 1 17 17 LYS CG C 13 25.904 0.000 . 1 . . . . A 18 LYS CG . 30696 1 226 . 1 . 1 17 17 LYS CD C 13 29.522 0.000 . 1 . . . . A 18 LYS CD . 30696 1 227 . 1 . 1 17 17 LYS CE C 13 41.978 0.000 . 1 . . . . A 18 LYS CE . 30696 1 228 . 1 . 1 17 17 LYS N N 15 126.539 0.000 . 1 . . . . A 18 LYS N . 30696 1 229 . 1 . 1 18 18 GLU H H 1 9.504 0.000 . 1 . . . . A 19 GLU H . 30696 1 230 . 1 . 1 18 18 GLU HA H 1 3.926 0.000 . 1 . . . . A 19 GLU HA . 30696 1 231 . 1 . 1 18 18 GLU HB2 H 1 1.898 0.000 . 2 . . . . A 19 GLU HB2 . 30696 1 232 . 1 . 1 18 18 GLU HB3 H 1 1.898 0.000 . 2 . . . . A 19 GLU HB3 . 30696 1 233 . 1 . 1 18 18 GLU HG2 H 1 2.260 0.000 . 2 . . . . A 19 GLU HG2 . 30696 1 234 . 1 . 1 18 18 GLU HG3 H 1 2.260 0.000 . 2 . . . . A 19 GLU HG3 . 30696 1 235 . 1 . 1 18 18 GLU C C 13 177.750 0.000 . 1 . . . . A 19 GLU C . 30696 1 236 . 1 . 1 18 18 GLU CA C 13 59.538 0.000 . 1 . . . . A 19 GLU CA . 30696 1 237 . 1 . 1 18 18 GLU CB C 13 29.057 0.000 . 1 . . . . A 19 GLU CB . 30696 1 238 . 1 . 1 18 18 GLU CG C 13 36.544 0.000 . 1 . . . . A 19 GLU CG . 30696 1 239 . 1 . 1 18 18 GLU N N 15 115.639 0.000 . 1 . . . . A 19 GLU N . 30696 1 240 . 1 . 1 19 19 ILE H H 1 6.842 0.000 . 1 . . . . A 20 ILE H . 30696 1 241 . 1 . 1 19 19 ILE HA H 1 3.412 0.000 . 1 . . . . A 20 ILE HA . 30696 1 242 . 1 . 1 19 19 ILE HB H 1 1.848 0.000 . 1 . . . . A 20 ILE HB . 30696 1 243 . 1 . 1 19 19 ILE HG12 H 1 0.465 0.000 . 1 . . . . A 20 ILE HG12 . 30696 1 244 . 1 . 1 19 19 ILE HG13 H 1 1.216 0.000 . 1 . . . . A 20 ILE HG13 . 30696 1 245 . 1 . 1 19 19 ILE HG21 H 1 0.694 0.000 . 1 . . . . A 20 ILE HG21 . 30696 1 246 . 1 . 1 19 19 ILE HG22 H 1 0.694 0.000 . 1 . . . . A 20 ILE HG22 . 30696 1 247 . 1 . 1 19 19 ILE HG23 H 1 0.694 0.000 . 1 . . . . A 20 ILE HG23 . 30696 1 248 . 1 . 1 19 19 ILE HD11 H 1 0.747 0.000 . 1 . . . . A 20 ILE HD11 . 30696 1 249 . 1 . 1 19 19 ILE HD12 H 1 0.747 0.000 . 1 . . . . A 20 ILE HD12 . 30696 1 250 . 1 . 1 19 19 ILE HD13 H 1 0.747 0.000 . 1 . . . . A 20 ILE HD13 . 30696 1 251 . 1 . 1 19 19 ILE C C 13 177.133 0.000 . 1 . . . . A 20 ILE C . 30696 1 252 . 1 . 1 19 19 ILE CA C 13 63.574 0.000 . 1 . . . . A 20 ILE CA . 30696 1 253 . 1 . 1 19 19 ILE CB C 13 37.044 0.000 . 1 . . . . A 20 ILE CB . 30696 1 254 . 1 . 1 19 19 ILE CG1 C 13 28.197 0.000 . 1 . . . . A 20 ILE CG1 . 30696 1 255 . 1 . 1 19 19 ILE CG2 C 13 18.104 0.000 . 1 . . . . A 20 ILE CG2 . 30696 1 256 . 1 . 1 19 19 ILE CD1 C 13 12.665 0.000 . 1 . . . . A 20 ILE CD1 . 30696 1 257 . 1 . 1 19 19 ILE N N 15 116.520 0.000 . 1 . . . . A 20 ILE N . 30696 1 258 . 1 . 1 20 20 ALA H H 1 7.667 0.000 . 1 . . . . A 21 ALA H . 30696 1 259 . 1 . 1 20 20 ALA HA H 1 3.767 0.000 . 1 . . . . A 21 ALA HA . 30696 1 260 . 1 . 1 20 20 ALA HB1 H 1 1.371 0.000 . 1 . . . . A 21 ALA HB1 . 30696 1 261 . 1 . 1 20 20 ALA HB2 H 1 1.371 0.000 . 1 . . . . A 21 ALA HB2 . 30696 1 262 . 1 . 1 20 20 ALA HB3 H 1 1.371 0.000 . 1 . . . . A 21 ALA HB3 . 30696 1 263 . 1 . 1 20 20 ALA C C 13 178.415 0.000 . 1 . . . . A 21 ALA C . 30696 1 264 . 1 . 1 20 20 ALA CA C 13 55.028 0.000 . 1 . . . . A 21 ALA CA . 30696 1 265 . 1 . 1 20 20 ALA CB C 13 18.194 0.000 . 1 . . . . A 21 ALA CB . 30696 1 266 . 1 . 1 20 20 ALA N N 15 120.966 0.000 . 1 . . . . A 21 ALA N . 30696 1 267 . 1 . 1 21 21 CYS H H 1 7.790 0.000 . 1 . . . . A 22 CYS H . 30696 1 268 . 1 . 1 21 21 CYS HA H 1 4.173 0.000 . 1 . . . . A 22 CYS HA . 30696 1 269 . 1 . 1 21 21 CYS HB2 H 1 2.893 0.000 . 2 . . . . A 22 CYS HB2 . 30696 1 270 . 1 . 1 21 21 CYS HB3 H 1 2.893 0.000 . 2 . . . . A 22 CYS HB3 . 30696 1 271 . 1 . 1 21 21 CYS C C 13 173.729 0.000 . 1 . . . . A 22 CYS C . 30696 1 272 . 1 . 1 21 21 CYS CA C 13 62.499 0.000 . 1 . . . . A 22 CYS CA . 30696 1 273 . 1 . 1 21 21 CYS CB C 13 26.946 0.000 . 1 . . . . A 22 CYS CB . 30696 1 274 . 1 . 1 21 21 CYS N N 15 107.668 0.000 . 1 . . . . A 22 CYS N . 30696 1 275 . 1 . 1 22 22 MET H H 1 7.587 0.000 . 1 . . . . A 23 MET H . 30696 1 276 . 1 . 1 22 22 MET HA H 1 4.127 0.000 . 1 . . . . A 23 MET HA . 30696 1 277 . 1 . 1 22 22 MET HB2 H 1 2.203 0.000 . 2 . . . . A 23 MET HB2 . 30696 1 278 . 1 . 1 22 22 MET HB3 H 1 2.203 0.000 . 2 . . . . A 23 MET HB3 . 30696 1 279 . 1 . 1 22 22 MET HG2 H 1 2.675 0.000 . 2 . . . . A 23 MET HG2 . 30696 1 280 . 1 . 1 22 22 MET HG3 H 1 2.897 0.000 . 2 . . . . A 23 MET HG3 . 30696 1 281 . 1 . 1 22 22 MET HE1 H 1 2.180 0.000 . 1 . . . . A 23 MET HE1 . 30696 1 282 . 1 . 1 22 22 MET HE2 H 1 2.180 0.000 . 1 . . . . A 23 MET HE2 . 30696 1 283 . 1 . 1 22 22 MET HE3 H 1 2.180 0.000 . 1 . . . . A 23 MET HE3 . 30696 1 284 . 1 . 1 22 22 MET C C 13 177.182 0.000 . 1 . . . . A 23 MET C . 30696 1 285 . 1 . 1 22 22 MET CA C 13 58.808 0.000 . 1 . . . . A 23 MET CA . 30696 1 286 . 1 . 1 22 22 MET CB C 13 33.067 0.000 . 1 . . . . A 23 MET CB . 30696 1 287 . 1 . 1 22 22 MET CG C 13 32.789 0.000 . 1 . . . . A 23 MET CG . 30696 1 288 . 1 . 1 22 22 MET CE C 13 16.642 0.000 . 1 . . . . A 23 MET CE . 30696 1 289 . 1 . 1 22 22 MET N N 15 119.195 0.000 . 1 . . . . A 23 MET N . 30696 1 290 . 1 . 1 23 23 SER H H 1 7.505 0.000 . 1 . . . . A 24 SER H . 30696 1 291 . 1 . 1 23 23 SER HA H 1 4.551 0.000 . 1 . . . . A 24 SER HA . 30696 1 292 . 1 . 1 23 23 SER HB2 H 1 3.571 0.000 . 1 . . . . A 24 SER HB2 . 30696 1 293 . 1 . 1 23 23 SER HB3 H 1 4.262 0.000 . 1 . . . . A 24 SER HB3 . 30696 1 294 . 1 . 1 23 23 SER HG H 1 7.031 0.000 . 1 . . . . A 24 SER HG . 30696 1 295 . 1 . 1 23 23 SER C C 13 174.341 0.000 . 1 . . . . A 24 SER C . 30696 1 296 . 1 . 1 23 23 SER CA C 13 55.705 0.000 . 1 . . . . A 24 SER CA . 30696 1 297 . 1 . 1 23 23 SER CB C 13 62.691 0.000 . 1 . . . . A 24 SER CB . 30696 1 298 . 1 . 1 23 23 SER N N 15 110.290 0.000 . 1 . . . . A 24 SER N . 30696 1 299 . 1 . 1 24 24 VAL H H 1 7.982 0.000 . 1 . . . . A 25 VAL H . 30696 1 300 . 1 . 1 24 24 VAL HA H 1 3.643 0.000 . 1 . . . . A 25 VAL HA . 30696 1 301 . 1 . 1 24 24 VAL HB H 1 2.333 0.000 . 1 . . . . A 25 VAL HB . 30696 1 302 . 1 . 1 24 24 VAL HG11 H 1 1.016 0.000 . 1 . . . . A 25 VAL HG11 . 30696 1 303 . 1 . 1 24 24 VAL HG12 H 1 1.016 0.000 . 1 . . . . A 25 VAL HG12 . 30696 1 304 . 1 . 1 24 24 VAL HG13 H 1 1.016 0.000 . 1 . . . . A 25 VAL HG13 . 30696 1 305 . 1 . 1 24 24 VAL HG21 H 1 1.171 0.000 . 1 . . . . A 25 VAL HG21 . 30696 1 306 . 1 . 1 24 24 VAL HG22 H 1 1.171 0.000 . 1 . . . . A 25 VAL HG22 . 30696 1 307 . 1 . 1 24 24 VAL HG23 H 1 1.171 0.000 . 1 . . . . A 25 VAL HG23 . 30696 1 308 . 1 . 1 24 24 VAL C C 13 177.315 0.000 . 1 . . . . A 25 VAL C . 30696 1 309 . 1 . 1 24 24 VAL CA C 13 66.454 0.000 . 1 . . . . A 25 VAL CA . 30696 1 310 . 1 . 1 24 24 VAL CB C 13 31.728 0.000 . 1 . . . . A 25 VAL CB . 30696 1 311 . 1 . 1 24 24 VAL CG1 C 13 21.678 0.000 . 1 . . . . A 25 VAL CG1 . 30696 1 312 . 1 . 1 24 24 VAL CG2 C 13 23.091 0.000 . 1 . . . . A 25 VAL CG2 . 30696 1 313 . 1 . 1 24 24 VAL N N 15 131.654 0.000 . 1 . . . . A 25 VAL N . 30696 1 314 . 1 . 1 25 25 THR H H 1 7.227 0.000 . 1 . . . . A 26 THR H . 30696 1 315 . 1 . 1 25 25 THR HA H 1 3.857 0.000 . 1 . . . . A 26 THR HA . 30696 1 316 . 1 . 1 25 25 THR HB H 1 3.607 0.000 . 1 . . . . A 26 THR HB . 30696 1 317 . 1 . 1 25 25 THR HG21 H 1 0.932 0.000 . 1 . . . . A 26 THR HG21 . 30696 1 318 . 1 . 1 25 25 THR HG22 H 1 0.932 0.000 . 1 . . . . A 26 THR HG22 . 30696 1 319 . 1 . 1 25 25 THR HG23 H 1 0.932 0.000 . 1 . . . . A 26 THR HG23 . 30696 1 320 . 1 . 1 25 25 THR C C 13 176.083 0.000 . 1 . . . . A 26 THR C . 30696 1 321 . 1 . 1 25 25 THR CA C 13 65.677 0.000 . 1 . . . . A 26 THR CA . 30696 1 322 . 1 . 1 25 25 THR CB C 13 69.667 0.000 . 1 . . . . A 26 THR CB . 30696 1 323 . 1 . 1 25 25 THR CG2 C 13 21.191 0.000 . 1 . . . . A 26 THR CG2 . 30696 1 324 . 1 . 1 25 25 THR N N 15 114.474 0.000 . 1 . . . . A 26 THR N . 30696 1 325 . 1 . 1 26 26 ILE H H 1 8.207 0.000 . 1 . . . . A 27 ILE H . 30696 1 326 . 1 . 1 26 26 ILE HA H 1 3.525 0.000 . 1 . . . . A 27 ILE HA . 30696 1 327 . 1 . 1 26 26 ILE HB H 1 1.882 0.000 . 1 . . . . A 27 ILE HB . 30696 1 328 . 1 . 1 26 26 ILE HG12 H 1 0.809 0.000 . 2 . . . . A 27 ILE HG12 . 30696 1 329 . 1 . 1 26 26 ILE HG13 H 1 1.696 0.000 . 2 . . . . A 27 ILE HG13 . 30696 1 330 . 1 . 1 26 26 ILE HG21 H 1 0.796 0.000 . 1 . . . . A 27 ILE HG21 . 30696 1 331 . 1 . 1 26 26 ILE HG22 H 1 0.796 0.000 . 1 . . . . A 27 ILE HG22 . 30696 1 332 . 1 . 1 26 26 ILE HG23 H 1 0.796 0.000 . 1 . . . . A 27 ILE HG23 . 30696 1 333 . 1 . 1 26 26 ILE HD11 H 1 0.898 0.000 . 1 . . . . A 27 ILE HD11 . 30696 1 334 . 1 . 1 26 26 ILE HD12 H 1 0.898 0.000 . 1 . . . . A 27 ILE HD12 . 30696 1 335 . 1 . 1 26 26 ILE HD13 H 1 0.898 0.000 . 1 . . . . A 27 ILE HD13 . 30696 1 336 . 1 . 1 26 26 ILE C C 13 176.910 0.000 . 1 . . . . A 27 ILE C . 30696 1 337 . 1 . 1 26 26 ILE CA C 13 65.590 0.000 . 1 . . . . A 27 ILE CA . 30696 1 338 . 1 . 1 26 26 ILE CB C 13 36.850 0.000 . 1 . . . . A 27 ILE CB . 30696 1 339 . 1 . 1 26 26 ILE CG1 C 13 29.115 0.000 . 1 . . . . A 27 ILE CG1 . 30696 1 340 . 1 . 1 26 26 ILE CG2 C 13 18.363 0.000 . 1 . . . . A 27 ILE CG2 . 30696 1 341 . 1 . 1 26 26 ILE CD1 C 13 12.626 0.000 . 1 . . . . A 27 ILE CD1 . 30696 1 342 . 1 . 1 26 26 ILE N N 15 122.043 0.000 . 1 . . . . A 27 ILE N . 30696 1 343 . 1 . 1 27 27 LYS H H 1 8.584 0.000 . 1 . . . . A 28 LYS H . 30696 1 344 . 1 . 1 27 27 LYS HA H 1 4.030 0.000 . 1 . . . . A 28 LYS HA . 30696 1 345 . 1 . 1 27 27 LYS HB2 H 1 1.987 0.000 . 2 . . . . A 28 LYS HB2 . 30696 1 346 . 1 . 1 27 27 LYS HB3 H 1 2.079 0.000 . 2 . . . . A 28 LYS HB3 . 30696 1 347 . 1 . 1 27 27 LYS HG2 H 1 1.451 0.000 . 2 . . . . A 28 LYS HG2 . 30696 1 348 . 1 . 1 27 27 LYS HG3 H 1 1.524 0.000 . 2 . . . . A 28 LYS HG3 . 30696 1 349 . 1 . 1 27 27 LYS HD2 H 1 1.786 0.000 . 1 . . . . A 28 LYS HD2 . 30696 1 350 . 1 . 1 27 27 LYS HD3 H 1 1.707 0.000 . 1 . . . . A 28 LYS HD3 . 30696 1 351 . 1 . 1 27 27 LYS HE2 H 1 3.032 0.000 . 2 . . . . A 28 LYS HE2 . 30696 1 352 . 1 . 1 27 27 LYS HE3 H 1 3.032 0.000 . 2 . . . . A 28 LYS HE3 . 30696 1 353 . 1 . 1 27 27 LYS C C 13 178.795 0.000 . 1 . . . . A 28 LYS C . 30696 1 354 . 1 . 1 27 27 LYS CA C 13 60.547 0.000 . 1 . . . . A 28 LYS CA . 30696 1 355 . 1 . 1 27 27 LYS CB C 13 32.506 0.000 . 1 . . . . A 28 LYS CB . 30696 1 356 . 1 . 1 27 27 LYS CG C 13 24.506 0.000 . 1 . . . . A 28 LYS CG . 30696 1 357 . 1 . 1 27 27 LYS CD C 13 29.787 0.000 . 1 . . . . A 28 LYS CD . 30696 1 358 . 1 . 1 27 27 LYS CE C 13 42.149 0.000 . 1 . . . . A 28 LYS CE . 30696 1 359 . 1 . 1 27 27 LYS N N 15 121.462 0.000 . 1 . . . . A 28 LYS N . 30696 1 360 . 1 . 1 28 28 ASN H H 1 8.353 0.000 . 1 . . . . A 29 ASN H . 30696 1 361 . 1 . 1 28 28 ASN HA H 1 4.489 0.000 . 1 . . . . A 29 ASN HA . 30696 1 362 . 1 . 1 28 28 ASN HB2 H 1 2.857 0.000 . 2 . . . . A 29 ASN HB2 . 30696 1 363 . 1 . 1 28 28 ASN HB3 H 1 2.957 0.000 . 2 . . . . A 29 ASN HB3 . 30696 1 364 . 1 . 1 28 28 ASN HD21 H 1 6.791 0.000 . 2 . . . . A 29 ASN HD21 . 30696 1 365 . 1 . 1 28 28 ASN HD22 H 1 7.592 0.000 . 2 . . . . A 29 ASN HD22 . 30696 1 366 . 1 . 1 28 28 ASN C C 13 177.958 0.000 . 1 . . . . A 29 ASN C . 30696 1 367 . 1 . 1 28 28 ASN CA C 13 55.527 0.000 . 1 . . . . A 29 ASN CA . 30696 1 368 . 1 . 1 28 28 ASN CB C 13 37.616 0.000 . 1 . . . . A 29 ASN CB . 30696 1 369 . 1 . 1 28 28 ASN N N 15 116.044 0.000 . 1 . . . . A 29 ASN N . 30696 1 370 . 1 . 1 28 28 ASN ND2 N 15 111.260 0.000 . 1 . . . . A 29 ASN ND2 . 30696 1 371 . 1 . 1 29 29 MET H H 1 7.934 0.000 . 1 . . . . A 30 MET H . 30696 1 372 . 1 . 1 29 29 MET HA H 1 4.263 0.000 . 1 . . . . A 30 MET HA . 30696 1 373 . 1 . 1 29 29 MET HB2 H 1 2.085 0.000 . 2 . . . . A 30 MET HB2 . 30696 1 374 . 1 . 1 29 29 MET HB3 H 1 2.253 0.000 . 2 . . . . A 30 MET HB3 . 30696 1 375 . 1 . 1 29 29 MET HG2 H 1 2.529 0.000 . 2 . . . . A 30 MET HG2 . 30696 1 376 . 1 . 1 29 29 MET HG3 H 1 2.891 0.000 . 2 . . . . A 30 MET HG3 . 30696 1 377 . 1 . 1 29 29 MET HE1 H 1 2.057 0.000 . 1 . . . . A 30 MET HE1 . 30696 1 378 . 1 . 1 29 29 MET HE2 H 1 2.057 0.000 . 1 . . . . A 30 MET HE2 . 30696 1 379 . 1 . 1 29 29 MET HE3 H 1 2.057 0.000 . 1 . . . . A 30 MET HE3 . 30696 1 380 . 1 . 1 29 29 MET C C 13 178.560 0.000 . 1 . . . . A 30 MET C . 30696 1 381 . 1 . 1 29 29 MET CA C 13 59.537 0.000 . 1 . . . . A 30 MET CA . 30696 1 382 . 1 . 1 29 29 MET CB C 13 33.376 0.000 . 1 . . . . A 30 MET CB . 30696 1 383 . 1 . 1 29 29 MET CG C 13 32.678 0.000 . 1 . . . . A 30 MET CG . 30696 1 384 . 1 . 1 29 29 MET CE C 13 17.522 0.000 . 1 . . . . A 30 MET CE . 30696 1 385 . 1 . 1 29 29 MET N N 15 120.548 0.000 . 1 . . . . A 30 MET N . 30696 1 386 . 1 . 1 30 30 ILE H H 1 8.543 0.000 . 1 . . . . A 31 ILE H . 30696 1 387 . 1 . 1 30 30 ILE HA H 1 3.735 0.000 . 1 . . . . A 31 ILE HA . 30696 1 388 . 1 . 1 30 30 ILE HB H 1 1.944 0.000 . 1 . . . . A 31 ILE HB . 30696 1 389 . 1 . 1 30 30 ILE HG12 H 1 1.059 0.000 . 1 . . . . A 31 ILE HG12 . 30696 1 390 . 1 . 1 30 30 ILE HG13 H 1 1.734 0.000 . 1 . . . . A 31 ILE HG13 . 30696 1 391 . 1 . 1 30 30 ILE HG21 H 1 0.836 0.000 . 1 . . . . A 31 ILE HG21 . 30696 1 392 . 1 . 1 30 30 ILE HG22 H 1 0.836 0.000 . 1 . . . . A 31 ILE HG22 . 30696 1 393 . 1 . 1 30 30 ILE HG23 H 1 0.836 0.000 . 1 . . . . A 31 ILE HG23 . 30696 1 394 . 1 . 1 30 30 ILE HD11 H 1 0.734 0.000 . 1 . . . . A 31 ILE HD11 . 30696 1 395 . 1 . 1 30 30 ILE HD12 H 1 0.734 0.000 . 1 . . . . A 31 ILE HD12 . 30696 1 396 . 1 . 1 30 30 ILE HD13 H 1 0.734 0.000 . 1 . . . . A 31 ILE HD13 . 30696 1 397 . 1 . 1 30 30 ILE C C 13 178.713 0.000 . 1 . . . . A 31 ILE C . 30696 1 398 . 1 . 1 30 30 ILE CA C 13 64.938 0.000 . 1 . . . . A 31 ILE CA . 30696 1 399 . 1 . 1 30 30 ILE CB C 13 37.988 0.000 . 1 . . . . A 31 ILE CB . 30696 1 400 . 1 . 1 30 30 ILE CG1 C 13 29.069 0.000 . 1 . . . . A 31 ILE CG1 . 30696 1 401 . 1 . 1 30 30 ILE CG2 C 13 17.218 0.000 . 1 . . . . A 31 ILE CG2 . 30696 1 402 . 1 . 1 30 30 ILE CD1 C 13 15.291 0.000 . 1 . . . . A 31 ILE CD1 . 30696 1 403 . 1 . 1 30 30 ILE N N 15 118.782 0.000 . 1 . . . . A 31 ILE N . 30696 1 404 . 1 . 1 31 31 GLU H H 1 7.846 0.000 . 1 . . . . A 32 GLU H . 30696 1 405 . 1 . 1 31 31 GLU HA H 1 4.032 0.000 . 1 . . . . A 32 GLU HA . 30696 1 406 . 1 . 1 31 31 GLU HB2 H 1 2.124 0.000 . 2 . . . . A 32 GLU HB2 . 30696 1 407 . 1 . 1 31 31 GLU HB3 H 1 2.124 0.000 . 2 . . . . A 32 GLU HB3 . 30696 1 408 . 1 . 1 31 31 GLU HG2 H 1 2.348 0.000 . 2 . . . . A 32 GLU HG2 . 30696 1 409 . 1 . 1 31 31 GLU HG3 H 1 2.484 0.000 . 2 . . . . A 32 GLU HG3 . 30696 1 410 . 1 . 1 31 31 GLU C C 13 177.910 0.000 . 1 . . . . A 32 GLU C . 30696 1 411 . 1 . 1 31 31 GLU CA C 13 58.884 0.000 . 1 . . . . A 32 GLU CA . 30696 1 412 . 1 . 1 31 31 GLU CB C 13 29.204 0.000 . 1 . . . . A 32 GLU CB . 30696 1 413 . 1 . 1 31 31 GLU CG C 13 36.105 0.000 . 1 . . . . A 32 GLU CG . 30696 1 414 . 1 . 1 31 31 GLU N N 15 119.776 0.000 . 1 . . . . A 32 GLU N . 30696 1 415 . 1 . 1 32 32 ASP H H 1 7.766 0.000 . 1 . . . . A 33 ASP H . 30696 1 416 . 1 . 1 32 32 ASP HA H 1 4.579 0.000 . 1 . . . . A 33 ASP HA . 30696 1 417 . 1 . 1 32 32 ASP HB2 H 1 2.787 0.000 . 2 . . . . A 33 ASP HB2 . 30696 1 418 . 1 . 1 32 32 ASP HB3 H 1 2.787 0.000 . 2 . . . . A 33 ASP HB3 . 30696 1 419 . 1 . 1 32 32 ASP C C 13 177.530 0.000 . 1 . . . . A 33 ASP C . 30696 1 420 . 1 . 1 32 32 ASP CA C 13 56.173 0.000 . 1 . . . . A 33 ASP CA . 30696 1 421 . 1 . 1 32 32 ASP CB C 13 41.596 0.000 . 1 . . . . A 33 ASP CB . 30696 1 422 . 1 . 1 32 32 ASP N N 15 117.962 0.000 . 1 . . . . A 33 ASP N . 30696 1 423 . 1 . 1 33 33 ILE H H 1 8.051 0.000 . 1 . . . . A 34 ILE H . 30696 1 424 . 1 . 1 33 33 ILE HA H 1 4.094 0.000 . 1 . . . . A 34 ILE HA . 30696 1 425 . 1 . 1 33 33 ILE HB H 1 1.951 0.000 . 1 . . . . A 34 ILE HB . 30696 1 426 . 1 . 1 33 33 ILE HG12 H 1 1.278 0.000 . 2 . . . . A 34 ILE HG12 . 30696 1 427 . 1 . 1 33 33 ILE HG13 H 1 1.679 0.000 . 2 . . . . A 34 ILE HG13 . 30696 1 428 . 1 . 1 33 33 ILE HG21 H 1 0.979 0.000 . 1 . . . . A 34 ILE HG21 . 30696 1 429 . 1 . 1 33 33 ILE HG22 H 1 0.979 0.000 . 1 . . . . A 34 ILE HG22 . 30696 1 430 . 1 . 1 33 33 ILE HG23 H 1 0.979 0.000 . 1 . . . . A 34 ILE HG23 . 30696 1 431 . 1 . 1 33 33 ILE HD11 H 1 0.903 0.000 . 1 . . . . A 34 ILE HD11 . 30696 1 432 . 1 . 1 33 33 ILE HD12 H 1 0.903 0.000 . 1 . . . . A 34 ILE HD12 . 30696 1 433 . 1 . 1 33 33 ILE HD13 H 1 0.903 0.000 . 1 . . . . A 34 ILE HD13 . 30696 1 434 . 1 . 1 33 33 ILE C C 13 177.522 0.000 . 1 . . . . A 34 ILE C . 30696 1 435 . 1 . 1 33 33 ILE CA C 13 62.695 0.000 . 1 . . . . A 34 ILE CA . 30696 1 436 . 1 . 1 33 33 ILE CB C 13 39.347 0.000 . 1 . . . . A 34 ILE CB . 30696 1 437 . 1 . 1 33 33 ILE CG1 C 13 27.979 0.000 . 1 . . . . A 34 ILE CG1 . 30696 1 438 . 1 . 1 33 33 ILE CG2 C 13 17.448 0.000 . 1 . . . . A 34 ILE CG2 . 30696 1 439 . 1 . 1 33 33 ILE CD1 C 13 13.936 0.000 . 1 . . . . A 34 ILE CD1 . 30696 1 440 . 1 . 1 33 33 ILE N N 15 117.133 0.000 . 1 . . . . A 34 ILE N . 30696 1 441 . 1 . 1 34 34 GLY H H 1 7.996 0.000 . 1 . . . . A 35 GLY H . 30696 1 442 . 1 . 1 34 34 GLY HA2 H 1 4.111 0.000 . 2 . . . . A 35 GLY HA2 . 30696 1 443 . 1 . 1 34 34 GLY HA3 H 1 3.827 0.000 . 2 . . . . A 35 GLY HA3 . 30696 1 444 . 1 . 1 34 34 GLY C C 13 173.772 0.000 . 1 . . . . A 35 GLY C . 30696 1 445 . 1 . 1 34 34 GLY CA C 13 45.155 0.000 . 1 . . . . A 35 GLY CA . 30696 1 446 . 1 . 1 34 34 GLY N N 15 109.761 0.000 . 1 . . . . A 35 GLY N . 30696 1 447 . 1 . 1 35 35 GLU H H 1 8.307 0.000 . 1 . . . . A 36 GLU H . 30696 1 448 . 1 . 1 35 35 GLU HA H 1 4.323 0.000 . 1 . . . . A 36 GLU HA . 30696 1 449 . 1 . 1 35 35 GLU HB2 H 1 1.920 0.000 . 1 . . . . A 36 GLU HB2 . 30696 1 450 . 1 . 1 35 35 GLU HB3 H 1 2.066 0.000 . 1 . . . . A 36 GLU HB3 . 30696 1 451 . 1 . 1 35 35 GLU HG2 H 1 2.218 0.000 . 2 . . . . A 36 GLU HG2 . 30696 1 452 . 1 . 1 35 35 GLU HG3 H 1 2.269 0.000 . 2 . . . . A 36 GLU HG3 . 30696 1 453 . 1 . 1 35 35 GLU C C 13 176.292 0.000 . 1 . . . . A 36 GLU C . 30696 1 454 . 1 . 1 35 35 GLU CA C 13 56.443 0.000 . 1 . . . . A 36 GLU CA . 30696 1 455 . 1 . 1 35 35 GLU CB C 13 29.663 0.000 . 1 . . . . A 36 GLU CB . 30696 1 456 . 1 . 1 35 35 GLU CG C 13 36.068 0.000 . 1 . . . . A 36 GLU CG . 30696 1 457 . 1 . 1 35 35 GLU N N 15 121.251 0.000 . 1 . . . . A 36 GLU N . 30696 1 458 . 1 . 1 36 36 SER H H 1 8.227 0.000 . 1 . . . . A 37 SER H . 30696 1 459 . 1 . 1 36 36 SER HA H 1 4.581 0.000 . 1 . . . . A 37 SER HA . 30696 1 460 . 1 . 1 36 36 SER HB2 H 1 3.776 0.000 . 2 . . . . A 37 SER HB2 . 30696 1 461 . 1 . 1 36 36 SER HB3 H 1 3.961 0.000 . 2 . . . . A 37 SER HB3 . 30696 1 462 . 1 . 1 36 36 SER C C 13 174.134 0.000 . 1 . . . . A 37 SER C . 30696 1 463 . 1 . 1 36 36 SER CA C 13 57.755 0.000 . 1 . . . . A 37 SER CA . 30696 1 464 . 1 . 1 36 36 SER CB C 13 64.577 0.000 . 1 . . . . A 37 SER CB . 30696 1 465 . 1 . 1 36 36 SER N N 15 117.815 0.000 . 1 . . . . A 37 SER N . 30696 1 466 . 1 . 1 37 37 ASP H H 1 8.573 0.000 . 1 . . . . A 38 ASP H . 30696 1 467 . 1 . 1 37 37 ASP HA H 1 4.774 0.000 . 1 . . . . A 38 ASP HA . 30696 1 468 . 1 . 1 37 37 ASP HB2 H 1 2.716 0.000 . 2 . . . . A 38 ASP HB2 . 30696 1 469 . 1 . 1 37 37 ASP HB3 H 1 2.716 0.000 . 2 . . . . A 38 ASP HB3 . 30696 1 470 . 1 . 1 37 37 ASP C C 13 176.199 0.000 . 1 . . . . A 38 ASP C . 30696 1 471 . 1 . 1 37 37 ASP CA C 13 54.161 0.000 . 1 . . . . A 38 ASP CA . 30696 1 472 . 1 . 1 37 37 ASP CB C 13 40.997 0.000 . 1 . . . . A 38 ASP CB . 30696 1 473 . 1 . 1 37 37 ASP N N 15 123.168 0.000 . 1 . . . . A 38 ASP N . 30696 1 474 . 1 . 1 38 38 SER H H 1 8.084 0.000 . 1 . . . . A 39 SER H . 30696 1 475 . 1 . 1 38 38 SER HA H 1 4.770 0.000 . 1 . . . . A 39 SER HA . 30696 1 476 . 1 . 1 38 38 SER HB2 H 1 3.719 0.000 . 2 . . . . A 39 SER HB2 . 30696 1 477 . 1 . 1 38 38 SER HB3 H 1 3.876 0.000 . 2 . . . . A 39 SER HB3 . 30696 1 478 . 1 . 1 38 38 SER C C 13 172.157 0.000 . 1 . . . . A 39 SER C . 30696 1 479 . 1 . 1 38 38 SER CA C 13 56.841 0.000 . 1 . . . . A 39 SER CA . 30696 1 480 . 1 . 1 38 38 SER CB C 13 63.192 0.000 . 1 . . . . A 39 SER CB . 30696 1 481 . 1 . 1 38 38 SER N N 15 116.610 0.000 . 1 . . . . A 39 SER N . 30696 1 482 . 1 . 1 39 39 PRO HA H 1 4.433 0.000 . 1 . . . . A 40 PRO HA . 30696 1 483 . 1 . 1 39 39 PRO HB2 H 1 1.687 0.000 . 2 . . . . A 40 PRO HB2 . 30696 1 484 . 1 . 1 39 39 PRO HB3 H 1 1.781 0.000 . 2 . . . . A 40 PRO HB3 . 30696 1 485 . 1 . 1 39 39 PRO HG2 H 1 1.756 0.000 . 2 . . . . A 40 PRO HG2 . 30696 1 486 . 1 . 1 39 39 PRO HG3 H 1 2.093 0.000 . 2 . . . . A 40 PRO HG3 . 30696 1 487 . 1 . 1 39 39 PRO HD2 H 1 3.634 0.000 . 2 . . . . A 40 PRO HD2 . 30696 1 488 . 1 . 1 39 39 PRO HD3 H 1 3.954 0.000 . 2 . . . . A 40 PRO HD3 . 30696 1 489 . 1 . 1 39 39 PRO C C 13 176.065 0.000 . 1 . . . . A 40 PRO C . 30696 1 490 . 1 . 1 39 39 PRO CA C 13 62.293 0.000 . 1 . . . . A 40 PRO CA . 30696 1 491 . 1 . 1 39 39 PRO CB C 13 32.726 0.000 . 1 . . . . A 40 PRO CB . 30696 1 492 . 1 . 1 39 39 PRO CG C 13 27.786 0.000 . 1 . . . . A 40 PRO CG . 30696 1 493 . 1 . 1 39 39 PRO CD C 13 50.586 0.000 . 1 . . . . A 40 PRO CD . 30696 1 494 . 1 . 1 40 40 ILE H H 1 8.889 0.000 . 1 . . . . A 41 ILE H . 30696 1 495 . 1 . 1 40 40 ILE HA H 1 4.317 0.000 . 1 . . . . A 41 ILE HA . 30696 1 496 . 1 . 1 40 40 ILE HB H 1 2.019 0.000 . 1 . . . . A 41 ILE HB . 30696 1 497 . 1 . 1 40 40 ILE HG12 H 1 1.188 0.000 . 2 . . . . A 41 ILE HG12 . 30696 1 498 . 1 . 1 40 40 ILE HG13 H 1 1.752 0.000 . 2 . . . . A 41 ILE HG13 . 30696 1 499 . 1 . 1 40 40 ILE HG21 H 1 0.870 0.000 . 1 . . . . A 41 ILE HG21 . 30696 1 500 . 1 . 1 40 40 ILE HG22 H 1 0.870 0.000 . 1 . . . . A 41 ILE HG22 . 30696 1 501 . 1 . 1 40 40 ILE HG23 H 1 0.870 0.000 . 1 . . . . A 41 ILE HG23 . 30696 1 502 . 1 . 1 40 40 ILE HD11 H 1 0.812 0.000 . 1 . . . . A 41 ILE HD11 . 30696 1 503 . 1 . 1 40 40 ILE HD12 H 1 0.812 0.000 . 1 . . . . A 41 ILE HD12 . 30696 1 504 . 1 . 1 40 40 ILE HD13 H 1 0.812 0.000 . 1 . . . . A 41 ILE HD13 . 30696 1 505 . 1 . 1 40 40 ILE C C 13 173.803 0.000 . 1 . . . . A 41 ILE C . 30696 1 506 . 1 . 1 40 40 ILE CA C 13 58.710 0.000 . 1 . . . . A 41 ILE CA . 30696 1 507 . 1 . 1 40 40 ILE CB C 13 39.064 0.000 . 1 . . . . A 41 ILE CB . 30696 1 508 . 1 . 1 40 40 ILE CG1 C 13 27.646 0.000 . 1 . . . . A 41 ILE CG1 . 30696 1 509 . 1 . 1 40 40 ILE CG2 C 13 17.620 0.000 . 1 . . . . A 41 ILE CG2 . 30696 1 510 . 1 . 1 40 40 ILE CD1 C 13 13.431 0.000 . 1 . . . . A 41 ILE CD1 . 30696 1 511 . 1 . 1 40 40 ILE N N 15 126.451 0.000 . 1 . . . . A 41 ILE N . 30696 1 512 . 1 . 1 41 41 PRO HA H 1 4.754 0.000 . 1 . . . . A 42 PRO HA . 30696 1 513 . 1 . 1 41 41 PRO HB2 H 1 1.849 0.000 . 2 . . . . A 42 PRO HB2 . 30696 1 514 . 1 . 1 41 41 PRO HB3 H 1 2.209 0.000 . 2 . . . . A 42 PRO HB3 . 30696 1 515 . 1 . 1 41 41 PRO HG2 H 1 1.946 0.000 . 2 . . . . A 42 PRO HG2 . 30696 1 516 . 1 . 1 41 41 PRO HG3 H 1 2.189 0.000 . 2 . . . . A 42 PRO HG3 . 30696 1 517 . 1 . 1 41 41 PRO HD2 H 1 3.718 0.000 . 1 . . . . A 42 PRO HD2 . 30696 1 518 . 1 . 1 41 41 PRO HD3 H 1 4.188 0.000 . 1 . . . . A 42 PRO HD3 . 30696 1 519 . 1 . 1 41 41 PRO C C 13 176.283 0.000 . 1 . . . . A 42 PRO C . 30696 1 520 . 1 . 1 41 41 PRO CA C 13 62.664 0.000 . 1 . . . . A 42 PRO CA . 30696 1 521 . 1 . 1 41 41 PRO CB C 13 32.269 0.000 . 1 . . . . A 42 PRO CB . 30696 1 522 . 1 . 1 41 41 PRO CG C 13 27.188 0.000 . 1 . . . . A 42 PRO CG . 30696 1 523 . 1 . 1 41 41 PRO CD C 13 51.008 0.000 . 1 . . . . A 42 PRO CD . 30696 1 524 . 1 . 1 42 42 LEU H H 1 8.618 0.000 . 1 . . . . A 43 LEU H . 30696 1 525 . 1 . 1 42 42 LEU HA H 1 5.125 0.000 . 1 . . . . A 43 LEU HA . 30696 1 526 . 1 . 1 42 42 LEU HB2 H 1 1.293 0.000 . 2 . . . . A 43 LEU HB2 . 30696 1 527 . 1 . 1 42 42 LEU HB3 H 1 2.071 0.000 . 2 . . . . A 43 LEU HB3 . 30696 1 528 . 1 . 1 42 42 LEU HG H 1 1.762 0.000 . 1 . . . . A 43 LEU HG . 30696 1 529 . 1 . 1 42 42 LEU HD11 H 1 0.872 0.000 . 2 . . . . A 43 LEU HD11 . 30696 1 530 . 1 . 1 42 42 LEU HD12 H 1 0.872 0.000 . 2 . . . . A 43 LEU HD12 . 30696 1 531 . 1 . 1 42 42 LEU HD13 H 1 0.872 0.000 . 2 . . . . A 43 LEU HD13 . 30696 1 532 . 1 . 1 42 42 LEU HD21 H 1 0.811 0.000 . 2 . . . . A 43 LEU HD21 . 30696 1 533 . 1 . 1 42 42 LEU HD22 H 1 0.811 0.000 . 2 . . . . A 43 LEU HD22 . 30696 1 534 . 1 . 1 42 42 LEU HD23 H 1 0.811 0.000 . 2 . . . . A 43 LEU HD23 . 30696 1 535 . 1 . 1 42 42 LEU C C 13 174.424 0.000 . 1 . . . . A 43 LEU C . 30696 1 536 . 1 . 1 42 42 LEU CA C 13 50.881 0.000 . 1 . . . . A 43 LEU CA . 30696 1 537 . 1 . 1 42 42 LEU CB C 13 42.653 0.000 . 1 . . . . A 43 LEU CB . 30696 1 538 . 1 . 1 42 42 LEU CG C 13 25.666 0.000 . 1 . . . . A 43 LEU CG . 30696 1 539 . 1 . 1 42 42 LEU CD1 C 13 28.363 0.000 . 1 . . . . A 43 LEU CD1 . 30696 1 540 . 1 . 1 42 42 LEU CD2 C 13 23.431 0.000 . 1 . . . . A 43 LEU CD2 . 30696 1 541 . 1 . 1 42 42 LEU N N 15 122.272 0.000 . 1 . . . . A 43 LEU N . 30696 1 542 . 1 . 1 43 43 PRO HA H 1 4.113 0.000 . 1 . . . . A 44 PRO HA . 30696 1 543 . 1 . 1 43 43 PRO HB2 H 1 1.874 0.000 . 2 . . . . A 44 PRO HB2 . 30696 1 544 . 1 . 1 43 43 PRO HB3 H 1 2.310 0.000 . 2 . . . . A 44 PRO HB3 . 30696 1 545 . 1 . 1 43 43 PRO HG2 H 1 1.832 0.000 . 2 . . . . A 44 PRO HG2 . 30696 1 546 . 1 . 1 43 43 PRO HG3 H 1 1.932 0.000 . 2 . . . . A 44 PRO HG3 . 30696 1 547 . 1 . 1 43 43 PRO HD2 H 1 3.440 0.000 . 2 . . . . A 44 PRO HD2 . 30696 1 548 . 1 . 1 43 43 PRO HD3 H 1 3.814 0.000 . 2 . . . . A 44 PRO HD3 . 30696 1 549 . 1 . 1 43 43 PRO C C 13 176.679 0.000 . 1 . . . . A 44 PRO C . 30696 1 550 . 1 . 1 43 43 PRO CA C 13 64.060 0.000 . 1 . . . . A 44 PRO CA . 30696 1 551 . 1 . 1 43 43 PRO CB C 13 31.993 0.000 . 1 . . . . A 44 PRO CB . 30696 1 552 . 1 . 1 43 43 PRO CG C 13 27.060 0.000 . 1 . . . . A 44 PRO CG . 30696 1 553 . 1 . 1 43 43 PRO CD C 13 50.625 0.000 . 1 . . . . A 44 PRO CD . 30696 1 554 . 1 . 1 44 44 ASN H H 1 6.918 0.000 . 1 . . . . A 45 ASN H . 30696 1 555 . 1 . 1 44 44 ASN HA H 1 4.787 0.000 . 1 . . . . A 45 ASN HA . 30696 1 556 . 1 . 1 44 44 ASN HB2 H 1 2.439 0.000 . 1 . . . . A 45 ASN HB2 . 30696 1 557 . 1 . 1 44 44 ASN HB3 H 1 1.186 0.000 . 1 . . . . A 45 ASN HB3 . 30696 1 558 . 1 . 1 44 44 ASN HD21 H 1 6.498 0.000 . 2 . . . . A 45 ASN HD21 . 30696 1 559 . 1 . 1 44 44 ASN HD22 H 1 6.498 0.000 . 2 . . . . A 45 ASN HD22 . 30696 1 560 . 1 . 1 44 44 ASN C C 13 174.038 0.000 . 1 . . . . A 45 ASN C . 30696 1 561 . 1 . 1 44 44 ASN CA C 13 52.404 0.000 . 1 . . . . A 45 ASN CA . 30696 1 562 . 1 . 1 44 44 ASN CB C 13 37.622 0.000 . 1 . . . . A 45 ASN CB . 30696 1 563 . 1 . 1 44 44 ASN N N 15 112.162 0.000 . 1 . . . . A 45 ASN N . 30696 1 564 . 1 . 1 44 44 ASN ND2 N 15 111.129 0.000 . 1 . . . . A 45 ASN ND2 . 30696 1 565 . 1 . 1 45 45 VAL H H 1 7.582 0.000 . 1 . . . . A 46 VAL H . 30696 1 566 . 1 . 1 45 45 VAL HA H 1 4.786 0.000 . 1 . . . . A 46 VAL HA . 30696 1 567 . 1 . 1 45 45 VAL HB H 1 2.037 0.000 . 1 . . . . A 46 VAL HB . 30696 1 568 . 1 . 1 45 45 VAL HG11 H 1 1.083 0.000 . 1 . . . . A 46 VAL HG11 . 30696 1 569 . 1 . 1 45 45 VAL HG12 H 1 1.083 0.000 . 1 . . . . A 46 VAL HG12 . 30696 1 570 . 1 . 1 45 45 VAL HG13 H 1 1.083 0.000 . 1 . . . . A 46 VAL HG13 . 30696 1 571 . 1 . 1 45 45 VAL HG21 H 1 1.053 0.000 . 1 . . . . A 46 VAL HG21 . 30696 1 572 . 1 . 1 45 45 VAL HG22 H 1 1.053 0.000 . 1 . . . . A 46 VAL HG22 . 30696 1 573 . 1 . 1 45 45 VAL HG23 H 1 1.053 0.000 . 1 . . . . A 46 VAL HG23 . 30696 1 574 . 1 . 1 45 45 VAL C C 13 173.660 0.000 . 1 . . . . A 46 VAL C . 30696 1 575 . 1 . 1 45 45 VAL CA C 13 60.369 0.000 . 1 . . . . A 46 VAL CA . 30696 1 576 . 1 . 1 45 45 VAL CB C 13 34.745 0.000 . 1 . . . . A 46 VAL CB . 30696 1 577 . 1 . 1 45 45 VAL CG1 C 13 22.440 0.000 . 1 . . . . A 46 VAL CG1 . 30696 1 578 . 1 . 1 45 45 VAL CG2 C 13 21.604 0.000 . 1 . . . . A 46 VAL CG2 . 30696 1 579 . 1 . 1 45 45 VAL N N 15 117.317 0.000 . 1 . . . . A 46 VAL N . 30696 1 580 . 1 . 1 46 46 THR H H 1 8.327 0.000 . 1 . . . . A 47 THR H . 30696 1 581 . 1 . 1 46 46 THR HA H 1 4.676 0.000 . 1 . . . . A 47 THR HA . 30696 1 582 . 1 . 1 46 46 THR HB H 1 4.517 0.000 . 1 . . . . A 47 THR HB . 30696 1 583 . 1 . 1 46 46 THR HG21 H 1 1.293 0.000 . 1 . . . . A 47 THR HG21 . 30696 1 584 . 1 . 1 46 46 THR HG22 H 1 1.293 0.000 . 1 . . . . A 47 THR HG22 . 30696 1 585 . 1 . 1 46 46 THR HG23 H 1 1.293 0.000 . 1 . . . . A 47 THR HG23 . 30696 1 586 . 1 . 1 46 46 THR C C 13 176.389 0.000 . 1 . . . . A 47 THR C . 30696 1 587 . 1 . 1 46 46 THR CA C 13 61.405 0.000 . 1 . . . . A 47 THR CA . 30696 1 588 . 1 . 1 46 46 THR CB C 13 71.294 0.000 . 1 . . . . A 47 THR CB . 30696 1 589 . 1 . 1 46 46 THR CG2 C 13 22.018 0.000 . 1 . . . . A 47 THR CG2 . 30696 1 590 . 1 . 1 46 46 THR N N 15 117.921 0.000 . 1 . . . . A 47 THR N . 30696 1 591 . 1 . 1 47 47 SER H H 1 9.817 0.000 . 1 . . . . A 48 SER H . 30696 1 592 . 1 . 1 47 47 SER HA H 1 4.034 0.000 . 1 . . . . A 48 SER HA . 30696 1 593 . 1 . 1 47 47 SER HB2 H 1 4.075 0.000 . 2 . . . . A 48 SER HB2 . 30696 1 594 . 1 . 1 47 47 SER HB3 H 1 4.602 0.000 . 2 . . . . A 48 SER HB3 . 30696 1 595 . 1 . 1 47 47 SER C C 13 176.500 0.000 . 1 . . . . A 48 SER C . 30696 1 596 . 1 . 1 47 47 SER CA C 13 62.208 0.000 . 1 . . . . A 48 SER CA . 30696 1 597 . 1 . 1 47 47 SER CB C 13 61.189 0.000 . 1 . . . . A 48 SER CB . 30696 1 598 . 1 . 1 47 47 SER N N 15 118.376 0.000 . 1 . . . . A 48 SER N . 30696 1 599 . 1 . 1 48 48 THR H H 1 7.801 0.000 . 1 . . . . A 49 THR H . 30696 1 600 . 1 . 1 48 48 THR HA H 1 4.078 0.000 . 1 . . . . A 49 THR HA . 30696 1 601 . 1 . 1 48 48 THR HB H 1 4.052 0.000 . 1 . . . . A 49 THR HB . 30696 1 602 . 1 . 1 48 48 THR HG21 H 1 1.282 0.000 . 1 . . . . A 49 THR HG21 . 30696 1 603 . 1 . 1 48 48 THR HG22 H 1 1.282 0.000 . 1 . . . . A 49 THR HG22 . 30696 1 604 . 1 . 1 48 48 THR HG23 H 1 1.282 0.000 . 1 . . . . A 49 THR HG23 . 30696 1 605 . 1 . 1 48 48 THR C C 13 176.385 0.000 . 1 . . . . A 49 THR C . 30696 1 606 . 1 . 1 48 48 THR CA C 13 65.666 0.000 . 1 . . . . A 49 THR CA . 30696 1 607 . 1 . 1 48 48 THR CB C 13 68.737 0.000 . 1 . . . . A 49 THR CB . 30696 1 608 . 1 . 1 48 48 THR CG2 C 13 21.960 0.000 . 1 . . . . A 49 THR CG2 . 30696 1 609 . 1 . 1 48 48 THR N N 15 115.688 0.000 . 1 . . . . A 49 THR N . 30696 1 610 . 1 . 1 49 49 ILE H H 1 6.926 0.000 . 1 . . . . A 50 ILE H . 30696 1 611 . 1 . 1 49 49 ILE HA H 1 3.948 0.000 . 1 . . . . A 50 ILE HA . 30696 1 612 . 1 . 1 49 49 ILE HB H 1 2.204 0.000 . 1 . . . . A 50 ILE HB . 30696 1 613 . 1 . 1 49 49 ILE HG12 H 1 1.417 0.000 . 2 . . . . A 50 ILE HG12 . 30696 1 614 . 1 . 1 49 49 ILE HG13 H 1 1.590 0.000 . 2 . . . . A 50 ILE HG13 . 30696 1 615 . 1 . 1 49 49 ILE HG21 H 1 0.795 0.000 . 1 . . . . A 50 ILE HG21 . 30696 1 616 . 1 . 1 49 49 ILE HG22 H 1 0.795 0.000 . 1 . . . . A 50 ILE HG22 . 30696 1 617 . 1 . 1 49 49 ILE HG23 H 1 0.795 0.000 . 1 . . . . A 50 ILE HG23 . 30696 1 618 . 1 . 1 49 49 ILE HD11 H 1 0.691 0.000 . 1 . . . . A 50 ILE HD11 . 30696 1 619 . 1 . 1 49 49 ILE HD12 H 1 0.691 0.000 . 1 . . . . A 50 ILE HD12 . 30696 1 620 . 1 . 1 49 49 ILE HD13 H 1 0.691 0.000 . 1 . . . . A 50 ILE HD13 . 30696 1 621 . 1 . 1 49 49 ILE C C 13 177.632 0.000 . 1 . . . . A 50 ILE C . 30696 1 622 . 1 . 1 49 49 ILE CA C 13 60.235 0.000 . 1 . . . . A 50 ILE CA . 30696 1 623 . 1 . 1 49 49 ILE CB C 13 35.160 0.000 . 1 . . . . A 50 ILE CB . 30696 1 624 . 1 . 1 49 49 ILE CG1 C 13 26.867 0.000 . 1 . . . . A 50 ILE CG1 . 30696 1 625 . 1 . 1 49 49 ILE CG2 C 13 17.832 0.000 . 1 . . . . A 50 ILE CG2 . 30696 1 626 . 1 . 1 49 49 ILE CD1 C 13 8.632 0.000 . 1 . . . . A 50 ILE CD1 . 30696 1 627 . 1 . 1 49 49 ILE N N 15 120.415 0.000 . 1 . . . . A 50 ILE N . 30696 1 628 . 1 . 1 50 50 LEU H H 1 9.109 0.000 . 1 . . . . A 51 LEU H . 30696 1 629 . 1 . 1 50 50 LEU HA H 1 3.742 0.000 . 1 . . . . A 51 LEU HA . 30696 1 630 . 1 . 1 50 50 LEU HB2 H 1 1.241 0.000 . 2 . . . . A 51 LEU HB2 . 30696 1 631 . 1 . 1 50 50 LEU HB3 H 1 1.502 0.000 . 2 . . . . A 51 LEU HB3 . 30696 1 632 . 1 . 1 50 50 LEU HG H 1 0.901 0.000 . 1 . . . . A 51 LEU HG . 30696 1 633 . 1 . 1 50 50 LEU HD11 H 1 0.648 0.000 . 2 . . . . A 51 LEU HD11 . 30696 1 634 . 1 . 1 50 50 LEU HD12 H 1 0.648 0.000 . 2 . . . . A 51 LEU HD12 . 30696 1 635 . 1 . 1 50 50 LEU HD13 H 1 0.648 0.000 . 2 . . . . A 51 LEU HD13 . 30696 1 636 . 1 . 1 50 50 LEU HD21 H 1 0.510 0.000 . 2 . . . . A 51 LEU HD21 . 30696 1 637 . 1 . 1 50 50 LEU HD22 H 1 0.510 0.000 . 2 . . . . A 51 LEU HD22 . 30696 1 638 . 1 . 1 50 50 LEU HD23 H 1 0.510 0.000 . 2 . . . . A 51 LEU HD23 . 30696 1 639 . 1 . 1 50 50 LEU C C 13 177.558 0.000 . 1 . . . . A 51 LEU C . 30696 1 640 . 1 . 1 50 50 LEU CA C 13 57.644 0.000 . 1 . . . . A 51 LEU CA . 30696 1 641 . 1 . 1 50 50 LEU CB C 13 40.911 0.000 . 1 . . . . A 51 LEU CB . 30696 1 642 . 1 . 1 50 50 LEU CG C 13 26.270 0.000 . 1 . . . . A 51 LEU CG . 30696 1 643 . 1 . 1 50 50 LEU CD1 C 13 21.578 0.000 . 1 . . . . A 51 LEU CD1 . 30696 1 644 . 1 . 1 50 50 LEU CD2 C 13 26.291 0.000 . 1 . . . . A 51 LEU CD2 . 30696 1 645 . 1 . 1 50 50 LEU N N 15 122.676 0.000 . 1 . . . . A 51 LEU N . 30696 1 646 . 1 . 1 51 51 GLU H H 1 8.494 0.000 . 1 . . . . A 52 GLU H . 30696 1 647 . 1 . 1 51 51 GLU HA H 1 3.635 0.000 . 1 . . . . A 52 GLU HA . 30696 1 648 . 1 . 1 51 51 GLU HB2 H 1 2.324 0.000 . 1 . . . . A 52 GLU HB2 . 30696 1 649 . 1 . 1 51 51 GLU HB3 H 1 2.124 0.000 . 1 . . . . A 52 GLU HB3 . 30696 1 650 . 1 . 1 51 51 GLU HG2 H 1 2.362 0.000 . 2 . . . . A 52 GLU HG2 . 30696 1 651 . 1 . 1 51 51 GLU HG3 H 1 2.439 0.000 . 2 . . . . A 52 GLU HG3 . 30696 1 652 . 1 . 1 51 51 GLU C C 13 178.647 0.000 . 1 . . . . A 52 GLU C . 30696 1 653 . 1 . 1 51 51 GLU CA C 13 60.041 0.000 . 1 . . . . A 52 GLU CA . 30696 1 654 . 1 . 1 51 51 GLU CB C 13 29.738 0.000 . 1 . . . . A 52 GLU CB . 30696 1 655 . 1 . 1 51 51 GLU CG C 13 36.092 0.000 . 1 . . . . A 52 GLU CG . 30696 1 656 . 1 . 1 51 51 GLU N N 15 117.151 0.000 . 1 . . . . A 52 GLU N . 30696 1 657 . 1 . 1 52 52 LYS H H 1 6.896 0.000 . 1 . . . . A 53 LYS H . 30696 1 658 . 1 . 1 52 52 LYS HA H 1 4.407 0.000 . 1 . . . . A 53 LYS HA . 30696 1 659 . 1 . 1 52 52 LYS HB2 H 1 2.008 0.000 . 2 . . . . A 53 LYS HB2 . 30696 1 660 . 1 . 1 52 52 LYS HB3 H 1 2.113 0.000 . 2 . . . . A 53 LYS HB3 . 30696 1 661 . 1 . 1 52 52 LYS HG2 H 1 1.562 0.000 . 2 . . . . A 53 LYS HG2 . 30696 1 662 . 1 . 1 52 52 LYS HG3 H 1 1.763 0.000 . 2 . . . . A 53 LYS HG3 . 30696 1 663 . 1 . 1 52 52 LYS HD2 H 1 1.557 0.000 . 2 . . . . A 53 LYS HD2 . 30696 1 664 . 1 . 1 52 52 LYS HD3 H 1 1.557 0.000 . 2 . . . . A 53 LYS HD3 . 30696 1 665 . 1 . 1 52 52 LYS HE2 H 1 2.510 0.000 . 2 . . . . A 53 LYS HE2 . 30696 1 666 . 1 . 1 52 52 LYS HE3 H 1 2.703 0.000 . 2 . . . . A 53 LYS HE3 . 30696 1 667 . 1 . 1 52 52 LYS C C 13 178.734 0.000 . 1 . . . . A 53 LYS C . 30696 1 668 . 1 . 1 52 52 LYS CA C 13 59.211 0.000 . 1 . . . . A 53 LYS CA . 30696 1 669 . 1 . 1 52 52 LYS CB C 13 32.906 0.000 . 1 . . . . A 53 LYS CB . 30696 1 670 . 1 . 1 52 52 LYS CG C 13 25.185 0.000 . 1 . . . . A 53 LYS CG . 30696 1 671 . 1 . 1 52 52 LYS CD C 13 28.767 0.000 . 1 . . . . A 53 LYS CD . 30696 1 672 . 1 . 1 52 52 LYS CE C 13 41.682 0.000 . 1 . . . . A 53 LYS CE . 30696 1 673 . 1 . 1 52 52 LYS N N 15 117.947 0.000 . 1 . . . . A 53 LYS N . 30696 1 674 . 1 . 1 53 53 VAL H H 1 8.491 0.000 . 1 . . . . A 54 VAL H . 30696 1 675 . 1 . 1 53 53 VAL HA H 1 3.496 0.000 . 1 . . . . A 54 VAL HA . 30696 1 676 . 1 . 1 53 53 VAL HB H 1 2.222 0.000 . 1 . . . . A 54 VAL HB . 30696 1 677 . 1 . 1 53 53 VAL HG11 H 1 0.724 0.000 . 1 . . . . A 54 VAL HG11 . 30696 1 678 . 1 . 1 53 53 VAL HG12 H 1 0.724 0.000 . 1 . . . . A 54 VAL HG12 . 30696 1 679 . 1 . 1 53 53 VAL HG13 H 1 0.724 0.000 . 1 . . . . A 54 VAL HG13 . 30696 1 680 . 1 . 1 53 53 VAL HG21 H 1 0.904 0.000 . 1 . . . . A 54 VAL HG21 . 30696 1 681 . 1 . 1 53 53 VAL HG22 H 1 0.904 0.000 . 1 . . . . A 54 VAL HG22 . 30696 1 682 . 1 . 1 53 53 VAL HG23 H 1 0.904 0.000 . 1 . . . . A 54 VAL HG23 . 30696 1 683 . 1 . 1 53 53 VAL C C 13 178.471 0.000 . 1 . . . . A 54 VAL C . 30696 1 684 . 1 . 1 53 53 VAL CA C 13 67.083 0.000 . 1 . . . . A 54 VAL CA . 30696 1 685 . 1 . 1 53 53 VAL CB C 13 31.622 0.000 . 1 . . . . A 54 VAL CB . 30696 1 686 . 1 . 1 53 53 VAL CG1 C 13 21.583 0.000 . 1 . . . . A 54 VAL CG1 . 30696 1 687 . 1 . 1 53 53 VAL CG2 C 13 22.892 0.000 . 1 . . . . A 54 VAL CG2 . 30696 1 688 . 1 . 1 53 53 VAL N N 15 119.383 0.000 . 1 . . . . A 54 VAL N . 30696 1 689 . 1 . 1 54 54 LEU H H 1 8.886 0.000 . 1 . . . . A 55 LEU H . 30696 1 690 . 1 . 1 54 54 LEU HA H 1 3.926 0.000 . 1 . . . . A 55 LEU HA . 30696 1 691 . 1 . 1 54 54 LEU HB2 H 1 1.924 0.000 . 1 . . . . A 55 LEU HB2 . 30696 1 692 . 1 . 1 54 54 LEU HB3 H 1 1.310 0.000 . 1 . . . . A 55 LEU HB3 . 30696 1 693 . 1 . 1 54 54 LEU HG H 1 1.732 0.000 . 1 . . . . A 55 LEU HG . 30696 1 694 . 1 . 1 54 54 LEU HD11 H 1 0.564 0.000 . 1 . . . . A 55 LEU HD11 . 30696 1 695 . 1 . 1 54 54 LEU HD12 H 1 0.564 0.000 . 1 . . . . A 55 LEU HD12 . 30696 1 696 . 1 . 1 54 54 LEU HD13 H 1 0.564 0.000 . 1 . . . . A 55 LEU HD13 . 30696 1 697 . 1 . 1 54 54 LEU HD21 H 1 0.619 0.000 . 1 . . . . A 55 LEU HD21 . 30696 1 698 . 1 . 1 54 54 LEU HD22 H 1 0.619 0.000 . 1 . . . . A 55 LEU HD22 . 30696 1 699 . 1 . 1 54 54 LEU HD23 H 1 0.619 0.000 . 1 . . . . A 55 LEU HD23 . 30696 1 700 . 1 . 1 54 54 LEU C C 13 178.895 0.000 . 1 . . . . A 55 LEU C . 30696 1 701 . 1 . 1 54 54 LEU CA C 13 58.156 0.000 . 1 . . . . A 55 LEU CA . 30696 1 702 . 1 . 1 54 54 LEU CB C 13 40.251 0.000 . 1 . . . . A 55 LEU CB . 30696 1 703 . 1 . 1 54 54 LEU CG C 13 25.956 0.000 . 1 . . . . A 55 LEU CG . 30696 1 704 . 1 . 1 54 54 LEU CD1 C 13 25.540 0.000 . 1 . . . . A 55 LEU CD1 . 30696 1 705 . 1 . 1 54 54 LEU CD2 C 13 20.279 0.000 . 1 . . . . A 55 LEU CD2 . 30696 1 706 . 1 . 1 54 54 LEU N N 15 118.786 0.000 . 1 . . . . A 55 LEU N . 30696 1 707 . 1 . 1 55 55 ASP H H 1 8.066 0.000 . 1 . . . . A 56 ASP H . 30696 1 708 . 1 . 1 55 55 ASP HA H 1 4.547 0.000 . 1 . . . . A 56 ASP HA . 30696 1 709 . 1 . 1 55 55 ASP HB2 H 1 3.109 0.000 . 2 . . . . A 56 ASP HB2 . 30696 1 710 . 1 . 1 55 55 ASP HB3 H 1 3.109 0.000 . 2 . . . . A 56 ASP HB3 . 30696 1 711 . 1 . 1 55 55 ASP C C 13 178.816 0.000 . 1 . . . . A 56 ASP C . 30696 1 712 . 1 . 1 55 55 ASP CA C 13 58.336 0.000 . 1 . . . . A 56 ASP CA . 30696 1 713 . 1 . 1 55 55 ASP CB C 13 41.443 0.000 . 1 . . . . A 56 ASP CB . 30696 1 714 . 1 . 1 55 55 ASP N N 15 121.317 0.000 . 1 . . . . A 56 ASP N . 30696 1 715 . 1 . 1 56 56 TYR H H 1 8.312 0.000 . 1 . . . . A 57 TYR H . 30696 1 716 . 1 . 1 56 56 TYR HA H 1 4.202 0.000 . 1 . . . . A 57 TYR HA . 30696 1 717 . 1 . 1 56 56 TYR HB2 H 1 2.773 0.000 . 1 . . . . A 57 TYR HB2 . 30696 1 718 . 1 . 1 56 56 TYR HB3 H 1 3.342 0.000 . 1 . . . . A 57 TYR HB3 . 30696 1 719 . 1 . 1 56 56 TYR HD1 H 1 6.492 0.000 . 1 . . . . A 57 TYR HD1 . 30696 1 720 . 1 . 1 56 56 TYR HD2 H 1 6.492 0.000 . 1 . . . . A 57 TYR HD2 . 30696 1 721 . 1 . 1 56 56 TYR HE1 H 1 6.304 0.000 . 1 . . . . A 57 TYR HE1 . 30696 1 722 . 1 . 1 56 56 TYR HE2 H 1 6.304 0.000 . 1 . . . . A 57 TYR HE2 . 30696 1 723 . 1 . 1 56 56 TYR C C 13 178.647 0.000 . 1 . . . . A 57 TYR C . 30696 1 724 . 1 . 1 56 56 TYR CA C 13 62.225 0.000 . 1 . . . . A 57 TYR CA . 30696 1 725 . 1 . 1 56 56 TYR CB C 13 37.506 0.000 . 1 . . . . A 57 TYR CB . 30696 1 726 . 1 . 1 56 56 TYR CD1 C 13 133.059 0.000 . 1 . . . . A 57 TYR CD1 . 30696 1 727 . 1 . 1 56 56 TYR CD2 C 13 133.059 0.000 . 1 . . . . A 57 TYR CD2 . 30696 1 728 . 1 . 1 56 56 TYR CE1 C 13 118.006 0.000 . 1 . . . . A 57 TYR CE1 . 30696 1 729 . 1 . 1 56 56 TYR CE2 C 13 118.006 0.000 . 1 . . . . A 57 TYR CE2 . 30696 1 730 . 1 . 1 56 56 TYR N N 15 122.487 0.000 . 1 . . . . A 57 TYR N . 30696 1 731 . 1 . 1 57 57 CYS H H 1 8.586 0.000 . 1 . . . . A 58 CYS H . 30696 1 732 . 1 . 1 57 57 CYS HA H 1 3.982 0.000 . 1 . . . . A 58 CYS HA . 30696 1 733 . 1 . 1 57 57 CYS HB2 H 1 2.972 0.000 . 2 . . . . A 58 CYS HB2 . 30696 1 734 . 1 . 1 57 57 CYS HB3 H 1 3.199 0.000 . 2 . . . . A 58 CYS HB3 . 30696 1 735 . 1 . 1 57 57 CYS HG H 1 2.884 0.000 . 1 . . . . A 58 CYS HG . 30696 1 736 . 1 . 1 57 57 CYS C C 13 176.492 0.000 . 1 . . . . A 58 CYS C . 30696 1 737 . 1 . 1 57 57 CYS CA C 13 64.488 0.000 . 1 . . . . A 58 CYS CA . 30696 1 738 . 1 . 1 57 57 CYS CB C 13 26.996 0.000 . 1 . . . . A 58 CYS CB . 30696 1 739 . 1 . 1 57 57 CYS N N 15 118.494 0.000 . 1 . . . . A 58 CYS N . 30696 1 740 . 1 . 1 58 58 ARG H H 1 8.782 0.000 . 1 . . . . A 59 ARG H . 30696 1 741 . 1 . 1 58 58 ARG HA H 1 3.803 0.000 . 1 . . . . A 59 ARG HA . 30696 1 742 . 1 . 1 58 58 ARG HB2 H 1 1.941 0.000 . 2 . . . . A 59 ARG HB2 . 30696 1 743 . 1 . 1 58 58 ARG HB3 H 1 1.941 0.000 . 2 . . . . A 59 ARG HB3 . 30696 1 744 . 1 . 1 58 58 ARG HG2 H 1 1.516 0.000 . 2 . . . . A 59 ARG HG2 . 30696 1 745 . 1 . 1 58 58 ARG HG3 H 1 1.786 0.000 . 2 . . . . A 59 ARG HG3 . 30696 1 746 . 1 . 1 58 58 ARG HD2 H 1 3.270 0.000 . 2 . . . . A 59 ARG HD2 . 30696 1 747 . 1 . 1 58 58 ARG HD3 H 1 3.270 0.000 . 2 . . . . A 59 ARG HD3 . 30696 1 748 . 1 . 1 58 58 ARG HE H 1 7.432 0.000 . 1 . . . . A 59 ARG HE . 30696 1 749 . 1 . 1 58 58 ARG C C 13 178.509 0.000 . 1 . . . . A 59 ARG C . 30696 1 750 . 1 . 1 58 58 ARG CA C 13 60.391 0.000 . 1 . . . . A 59 ARG CA . 30696 1 751 . 1 . 1 58 58 ARG CB C 13 30.198 0.000 . 1 . . . . A 59 ARG CB . 30696 1 752 . 1 . 1 58 58 ARG CG C 13 28.246 0.000 . 1 . . . . A 59 ARG CG . 30696 1 753 . 1 . 1 58 58 ARG CD C 13 43.285 0.000 . 1 . . . . A 59 ARG CD . 30696 1 754 . 1 . 1 58 58 ARG N N 15 119.602 0.000 . 1 . . . . A 59 ARG N . 30696 1 755 . 1 . 1 58 58 ARG NE N 15 83.918 0.000 . 1 . . . . A 59 ARG NE . 30696 1 756 . 1 . 1 59 59 HIS H H 1 8.014 0.000 . 1 . . . . A 60 HIS H . 30696 1 757 . 1 . 1 59 59 HIS HA H 1 3.980 0.000 . 1 . . . . A 60 HIS HA . 30696 1 758 . 1 . 1 59 59 HIS HB2 H 1 2.418 0.000 . 2 . . . . A 60 HIS HB2 . 30696 1 759 . 1 . 1 59 59 HIS HB3 H 1 2.592 0.000 . 2 . . . . A 60 HIS HB3 . 30696 1 760 . 1 . 1 59 59 HIS HD2 H 1 6.152 0.000 . 1 . . . . A 60 HIS HD2 . 30696 1 761 . 1 . 1 59 59 HIS HE1 H 1 8.167 0.000 . 1 . . . . A 60 HIS HE1 . 30696 1 762 . 1 . 1 59 59 HIS C C 13 176.845 0.000 . 1 . . . . A 60 HIS C . 30696 1 763 . 1 . 1 59 59 HIS CA C 13 59.849 0.000 . 1 . . . . A 60 HIS CA . 30696 1 764 . 1 . 1 59 59 HIS CB C 13 28.210 0.000 . 1 . . . . A 60 HIS CB . 30696 1 765 . 1 . 1 59 59 HIS CD2 C 13 119.833 0.000 . 1 . . . . A 60 HIS CD2 . 30696 1 766 . 1 . 1 59 59 HIS CE1 C 13 136.303 0.000 . 1 . . . . A 60 HIS CE1 . 30696 1 767 . 1 . 1 59 59 HIS N N 15 116.271 0.000 . 1 . . . . A 60 HIS N . 30696 1 768 . 1 . 1 59 59 HIS ND1 N 15 179.556 0.000 . 1 . . . . A 60 HIS ND1 . 30696 1 769 . 1 . 1 59 59 HIS NE2 N 15 188.261 0.000 . 1 . . . . A 60 HIS NE2 . 30696 1 770 . 1 . 1 60 60 HIS H H 1 8.105 0.000 . 1 . . . . A 61 HIS H . 30696 1 771 . 1 . 1 60 60 HIS HA H 1 4.009 0.000 . 1 . . . . A 61 HIS HA . 30696 1 772 . 1 . 1 60 60 HIS HB2 H 1 2.560 0.000 . 2 . . . . A 61 HIS HB2 . 30696 1 773 . 1 . 1 60 60 HIS HB3 H 1 3.073 0.000 . 2 . . . . A 61 HIS HB3 . 30696 1 774 . 1 . 1 60 60 HIS HD2 H 1 6.103 0.000 . 1 . . . . A 61 HIS HD2 . 30696 1 775 . 1 . 1 60 60 HIS HE1 H 1 8.440 0.000 . 1 . . . . A 61 HIS HE1 . 30696 1 776 . 1 . 1 60 60 HIS C C 13 175.176 0.000 . 1 . . . . A 61 HIS C . 30696 1 777 . 1 . 1 60 60 HIS CA C 13 58.351 0.000 . 1 . . . . A 61 HIS CA . 30696 1 778 . 1 . 1 60 60 HIS CB C 13 28.284 0.000 . 1 . . . . A 61 HIS CB . 30696 1 779 . 1 . 1 60 60 HIS CD2 C 13 119.515 0.000 . 1 . . . . A 61 HIS CD2 . 30696 1 780 . 1 . 1 60 60 HIS CE1 C 13 137.242 0.000 . 1 . . . . A 61 HIS CE1 . 30696 1 781 . 1 . 1 60 60 HIS N N 15 115.948 0.000 . 1 . . . . A 61 HIS N . 30696 1 782 . 1 . 1 60 60 HIS ND1 N 15 183.073 0.000 . 1 . . . . A 61 HIS ND1 . 30696 1 783 . 1 . 1 60 60 HIS NE2 N 15 179.600 0.000 . 1 . . . . A 61 HIS NE2 . 30696 1 784 . 1 . 1 61 61 HIS H H 1 8.230 0.000 . 1 . . . . A 62 HIS H . 30696 1 785 . 1 . 1 61 61 HIS HA H 1 4.338 0.000 . 1 . . . . A 62 HIS HA . 30696 1 786 . 1 . 1 61 61 HIS HB2 H 1 3.092 0.000 . 2 . . . . A 62 HIS HB2 . 30696 1 787 . 1 . 1 61 61 HIS HB3 H 1 3.370 0.000 . 2 . . . . A 62 HIS HB3 . 30696 1 788 . 1 . 1 61 61 HIS HD2 H 1 7.145 0.000 . 1 . . . . A 62 HIS HD2 . 30696 1 789 . 1 . 1 61 61 HIS HE1 H 1 8.206 0.000 . 1 . . . . A 62 HIS HE1 . 30696 1 790 . 1 . 1 61 61 HIS C C 13 175.386 0.000 . 1 . . . . A 62 HIS C . 30696 1 791 . 1 . 1 61 61 HIS CA C 13 58.393 0.000 . 1 . . . . A 62 HIS CA . 30696 1 792 . 1 . 1 61 61 HIS CB C 13 29.637 0.000 . 1 . . . . A 62 HIS CB . 30696 1 793 . 1 . 1 61 61 HIS CD2 C 13 120.272 0.000 . 1 . . . . A 62 HIS CD2 . 30696 1 794 . 1 . 1 61 61 HIS CE1 C 13 137.304 0.000 . 1 . . . . A 62 HIS CE1 . 30696 1 795 . 1 . 1 61 61 HIS N N 15 119.416 0.000 . 1 . . . . A 62 HIS N . 30696 1 796 . 1 . 1 61 61 HIS ND1 N 15 198.720 0.000 . 1 . . . . A 62 HIS ND1 . 30696 1 797 . 1 . 1 61 61 HIS NE2 N 15 178.696 0.000 . 1 . . . . A 62 HIS NE2 . 30696 1 798 . 1 . 1 62 62 GLN H H 1 7.621 0.000 . 1 . . . . A 63 GLN H . 30696 1 799 . 1 . 1 62 62 GLN HA H 1 3.924 0.000 . 1 . . . . A 63 GLN HA . 30696 1 800 . 1 . 1 62 62 GLN HB2 H 1 1.704 0.000 . 2 . . . . A 63 GLN HB2 . 30696 1 801 . 1 . 1 62 62 GLN HB3 H 1 1.804 0.000 . 2 . . . . A 63 GLN HB3 . 30696 1 802 . 1 . 1 62 62 GLN HG2 H 1 2.134 0.000 . 2 . . . . A 63 GLN HG2 . 30696 1 803 . 1 . 1 62 62 GLN HG3 H 1 2.249 0.000 . 2 . . . . A 63 GLN HG3 . 30696 1 804 . 1 . 1 62 62 GLN HE21 H 1 7.363 0.000 . 1 . . . . A 63 GLN HE21 . 30696 1 805 . 1 . 1 62 62 GLN HE22 H 1 6.761 0.000 . 1 . . . . A 63 GLN HE22 . 30696 1 806 . 1 . 1 62 62 GLN C C 13 175.292 0.000 . 1 . . . . A 63 GLN C . 30696 1 807 . 1 . 1 62 62 GLN CA C 13 56.384 0.000 . 1 . . . . A 63 GLN CA . 30696 1 808 . 1 . 1 62 62 GLN CB C 13 29.191 0.000 . 1 . . . . A 63 GLN CB . 30696 1 809 . 1 . 1 62 62 GLN CG C 13 33.845 0.000 . 1 . . . . A 63 GLN CG . 30696 1 810 . 1 . 1 62 62 GLN N N 15 116.761 0.000 . 1 . . . . A 63 GLN N . 30696 1 811 . 1 . 1 62 62 GLN NE2 N 15 111.140 0.000 . 1 . . . . A 63 GLN NE2 . 30696 1 812 . 1 . 1 63 63 HIS H H 1 7.675 0.000 . 1 . . . . A 64 HIS H . 30696 1 813 . 1 . 1 63 63 HIS HA H 1 4.846 0.000 . 1 . . . . A 64 HIS HA . 30696 1 814 . 1 . 1 63 63 HIS HB2 H 1 2.695 0.000 . 2 . . . . A 64 HIS HB2 . 30696 1 815 . 1 . 1 63 63 HIS HB3 H 1 2.966 0.000 . 2 . . . . A 64 HIS HB3 . 30696 1 816 . 1 . 1 63 63 HIS HD2 H 1 6.850 0.000 . 1 . . . . A 64 HIS HD2 . 30696 1 817 . 1 . 1 63 63 HIS HE1 H 1 8.355 0.000 . 1 . . . . A 64 HIS HE1 . 30696 1 818 . 1 . 1 63 63 HIS C C 13 171.685 0.000 . 1 . . . . A 64 HIS C . 30696 1 819 . 1 . 1 63 63 HIS CA C 13 52.879 0.000 . 1 . . . . A 64 HIS CA . 30696 1 820 . 1 . 1 63 63 HIS CB C 13 28.555 0.000 . 1 . . . . A 64 HIS CB . 30696 1 821 . 1 . 1 63 63 HIS CD2 C 13 120.583 0.000 . 1 . . . . A 64 HIS CD2 . 30696 1 822 . 1 . 1 63 63 HIS CE1 C 13 136.715 0.000 . 1 . . . . A 64 HIS CE1 . 30696 1 823 . 1 . 1 63 63 HIS N N 15 116.875 0.000 . 1 . . . . A 64 HIS N . 30696 1 824 . 1 . 1 63 63 HIS ND1 N 15 176.481 0.000 . 1 . . . . A 64 HIS ND1 . 30696 1 825 . 1 . 1 63 63 HIS NE2 N 15 186.003 0.000 . 1 . . . . A 64 HIS NE2 . 30696 1 826 . 1 . 1 64 64 PRO HA H 1 4.424 0.000 . 1 . . . . A 65 PRO HA . 30696 1 827 . 1 . 1 64 64 PRO HB2 H 1 1.943 0.000 . 2 . . . . A 65 PRO HB2 . 30696 1 828 . 1 . 1 64 64 PRO HB3 H 1 2.234 0.000 . 2 . . . . A 65 PRO HB3 . 30696 1 829 . 1 . 1 64 64 PRO HG2 H 1 1.914 0.000 . 2 . . . . A 65 PRO HG2 . 30696 1 830 . 1 . 1 64 64 PRO HG3 H 1 1.914 0.000 . 2 . . . . A 65 PRO HG3 . 30696 1 831 . 1 . 1 64 64 PRO HD2 H 1 3.371 0.000 . 2 . . . . A 65 PRO HD2 . 30696 1 832 . 1 . 1 64 64 PRO HD3 H 1 3.461 0.000 . 2 . . . . A 65 PRO HD3 . 30696 1 833 . 1 . 1 64 64 PRO C C 13 177.678 0.000 . 1 . . . . A 65 PRO C . 30696 1 834 . 1 . 1 64 64 PRO CA C 13 63.666 0.000 . 1 . . . . A 65 PRO CA . 30696 1 835 . 1 . 1 64 64 PRO CB C 13 32.101 0.000 . 1 . . . . A 65 PRO CB . 30696 1 836 . 1 . 1 64 64 PRO CG C 13 27.007 0.000 . 1 . . . . A 65 PRO CG . 30696 1 837 . 1 . 1 64 64 PRO CD C 13 50.248 0.000 . 1 . . . . A 65 PRO CD . 30696 1 838 . 1 . 1 65 65 GLY H H 1 8.467 0.000 . 1 . . . . A 66 GLY H . 30696 1 839 . 1 . 1 65 65 GLY HA2 H 1 3.994 0.000 . 2 . . . . A 66 GLY HA2 . 30696 1 840 . 1 . 1 65 65 GLY HA3 H 1 4.045 0.000 . 2 . . . . A 66 GLY HA3 . 30696 1 841 . 1 . 1 65 65 GLY C C 13 174.585 0.000 . 1 . . . . A 66 GLY C . 30696 1 842 . 1 . 1 65 65 GLY CA C 13 45.150 0.000 . 1 . . . . A 66 GLY CA . 30696 1 843 . 1 . 1 65 65 GLY N N 15 109.175 0.000 . 1 . . . . A 66 GLY N . 30696 1 844 . 1 . 1 66 66 GLY H H 1 8.289 0.000 . 1 . . . . A 67 GLY H . 30696 1 845 . 1 . 1 66 66 GLY HA2 H 1 4.039 0.000 . 2 . . . . A 67 GLY HA2 . 30696 1 846 . 1 . 1 66 66 GLY HA3 H 1 4.079 0.000 . 2 . . . . A 67 GLY HA3 . 30696 1 847 . 1 . 1 66 66 GLY C C 13 174.262 0.000 . 1 . . . . A 67 GLY C . 30696 1 848 . 1 . 1 66 66 GLY CA C 13 45.160 0.000 . 1 . . . . A 67 GLY CA . 30696 1 849 . 1 . 1 66 66 GLY N N 15 108.804 0.000 . 1 . . . . A 67 GLY N . 30696 1 850 . 1 . 1 67 67 SER H H 1 8.414 0.000 . 1 . . . . A 68 SER H . 30696 1 851 . 1 . 1 67 67 SER HA H 1 4.526 0.000 . 1 . . . . A 68 SER HA . 30696 1 852 . 1 . 1 67 67 SER HB2 H 1 3.880 0.000 . 2 . . . . A 68 SER HB2 . 30696 1 853 . 1 . 1 67 67 SER HB3 H 1 3.917 0.000 . 2 . . . . A 68 SER HB3 . 30696 1 854 . 1 . 1 67 67 SER C C 13 175.038 0.000 . 1 . . . . A 68 SER C . 30696 1 855 . 1 . 1 67 67 SER CA C 13 58.346 0.000 . 1 . . . . A 68 SER CA . 30696 1 856 . 1 . 1 67 67 SER CB C 13 64.099 0.000 . 1 . . . . A 68 SER CB . 30696 1 857 . 1 . 1 67 67 SER N N 15 115.726 0.000 . 1 . . . . A 68 SER N . 30696 1 858 . 1 . 1 68 68 GLY H H 1 8.566 0.000 . 1 . . . . A 69 GLY H . 30696 1 859 . 1 . 1 68 68 GLY HA2 H 1 3.994 0.000 . 2 . . . . A 69 GLY HA2 . 30696 1 860 . 1 . 1 68 68 GLY HA3 H 1 3.994 0.000 . 2 . . . . A 69 GLY HA3 . 30696 1 861 . 1 . 1 68 68 GLY C C 13 174.316 0.000 . 1 . . . . A 69 GLY C . 30696 1 862 . 1 . 1 68 68 GLY CA C 13 45.427 0.000 . 1 . . . . A 69 GLY CA . 30696 1 863 . 1 . 1 68 68 GLY N N 15 110.987 0.000 . 1 . . . . A 69 GLY N . 30696 1 864 . 1 . 1 69 69 LEU H H 1 8.144 0.000 . 1 . . . . A 70 LEU H . 30696 1 865 . 1 . 1 69 69 LEU HA H 1 4.323 0.000 . 1 . . . . A 70 LEU HA . 30696 1 866 . 1 . 1 69 69 LEU HB2 H 1 1.614 0.000 . 2 . . . . A 70 LEU HB2 . 30696 1 867 . 1 . 1 69 69 LEU HB3 H 1 1.614 0.000 . 2 . . . . A 70 LEU HB3 . 30696 1 868 . 1 . 1 69 69 LEU HG H 1 1.591 0.000 . 1 . . . . A 70 LEU HG . 30696 1 869 . 1 . 1 69 69 LEU HD11 H 1 0.844 0.000 . 2 . . . . A 70 LEU HD11 . 30696 1 870 . 1 . 1 69 69 LEU HD12 H 1 0.844 0.000 . 2 . . . . A 70 LEU HD12 . 30696 1 871 . 1 . 1 69 69 LEU HD13 H 1 0.844 0.000 . 2 . . . . A 70 LEU HD13 . 30696 1 872 . 1 . 1 69 69 LEU HD21 H 1 0.901 0.000 . 2 . . . . A 70 LEU HD21 . 30696 1 873 . 1 . 1 69 69 LEU HD22 H 1 0.901 0.000 . 2 . . . . A 70 LEU HD22 . 30696 1 874 . 1 . 1 69 69 LEU HD23 H 1 0.901 0.000 . 2 . . . . A 70 LEU HD23 . 30696 1 875 . 1 . 1 69 69 LEU C C 13 177.272 0.000 . 1 . . . . A 70 LEU C . 30696 1 876 . 1 . 1 69 69 LEU CA C 13 55.363 0.000 . 1 . . . . A 70 LEU CA . 30696 1 877 . 1 . 1 69 69 LEU CB C 13 42.220 0.000 . 1 . . . . A 70 LEU CB . 30696 1 878 . 1 . 1 69 69 LEU CG C 13 26.915 0.000 . 1 . . . . A 70 LEU CG . 30696 1 879 . 1 . 1 69 69 LEU CD1 C 13 23.274 0.000 . 1 . . . . A 70 LEU CD1 . 30696 1 880 . 1 . 1 69 69 LEU CD2 C 13 25.000 0.000 . 1 . . . . A 70 LEU CD2 . 30696 1 881 . 1 . 1 69 69 LEU N N 15 121.207 0.000 . 1 . . . . A 70 LEU N . 30696 1 882 . 1 . 1 70 70 ASP H H 1 8.228 0.000 . 1 . . . . A 71 ASP H . 30696 1 883 . 1 . 1 70 70 ASP HA H 1 4.577 0.000 . 1 . . . . A 71 ASP HA . 30696 1 884 . 1 . 1 70 70 ASP HB2 H 1 2.584 0.000 . 2 . . . . A 71 ASP HB2 . 30696 1 885 . 1 . 1 70 70 ASP HB3 H 1 2.704 0.000 . 2 . . . . A 71 ASP HB3 . 30696 1 886 . 1 . 1 70 70 ASP C C 13 175.646 0.000 . 1 . . . . A 71 ASP C . 30696 1 887 . 1 . 1 70 70 ASP CA C 13 54.551 0.000 . 1 . . . . A 71 ASP CA . 30696 1 888 . 1 . 1 70 70 ASP CB C 13 41.127 0.000 . 1 . . . . A 71 ASP CB . 30696 1 889 . 1 . 1 70 70 ASP N N 15 119.084 0.000 . 1 . . . . A 71 ASP N . 30696 1 890 . 1 . 1 71 71 ASP H H 1 7.992 0.000 . 1 . . . . A 72 ASP H . 30696 1 891 . 1 . 1 71 71 ASP HA H 1 4.582 0.000 . 1 . . . . A 72 ASP HA . 30696 1 892 . 1 . 1 71 71 ASP HB2 H 1 2.580 0.000 . 2 . . . . A 72 ASP HB2 . 30696 1 893 . 1 . 1 71 71 ASP HB3 H 1 2.638 0.000 . 2 . . . . A 72 ASP HB3 . 30696 1 894 . 1 . 1 71 71 ASP C C 13 175.670 0.000 . 1 . . . . A 72 ASP C . 30696 1 895 . 1 . 1 71 71 ASP CA C 13 54.085 0.000 . 1 . . . . A 72 ASP CA . 30696 1 896 . 1 . 1 71 71 ASP CB C 13 41.321 0.000 . 1 . . . . A 72 ASP CB . 30696 1 897 . 1 . 1 71 71 ASP N N 15 119.551 0.000 . 1 . . . . A 72 ASP N . 30696 1 898 . 1 . 1 72 72 ILE H H 1 8.056 0.000 . 1 . . . . A 73 ILE H . 30696 1 899 . 1 . 1 72 72 ILE HA H 1 4.382 0.000 . 1 . . . . A 73 ILE HA . 30696 1 900 . 1 . 1 72 72 ILE HB H 1 1.828 0.000 . 1 . . . . A 73 ILE HB . 30696 1 901 . 1 . 1 72 72 ILE HG12 H 1 1.069 0.000 . 2 . . . . A 73 ILE HG12 . 30696 1 902 . 1 . 1 72 72 ILE HG13 H 1 1.533 0.000 . 2 . . . . A 73 ILE HG13 . 30696 1 903 . 1 . 1 72 72 ILE HG21 H 1 0.915 0.000 . 1 . . . . A 73 ILE HG21 . 30696 1 904 . 1 . 1 72 72 ILE HG22 H 1 0.915 0.000 . 1 . . . . A 73 ILE HG22 . 30696 1 905 . 1 . 1 72 72 ILE HG23 H 1 0.915 0.000 . 1 . . . . A 73 ILE HG23 . 30696 1 906 . 1 . 1 72 72 ILE HD11 H 1 0.746 0.000 . 1 . . . . A 73 ILE HD11 . 30696 1 907 . 1 . 1 72 72 ILE HD12 H 1 0.746 0.000 . 1 . . . . A 73 ILE HD12 . 30696 1 908 . 1 . 1 72 72 ILE HD13 H 1 0.746 0.000 . 1 . . . . A 73 ILE HD13 . 30696 1 909 . 1 . 1 72 72 ILE C C 13 174.016 0.000 . 1 . . . . A 73 ILE C . 30696 1 910 . 1 . 1 72 72 ILE CA C 13 59.490 0.000 . 1 . . . . A 73 ILE CA . 30696 1 911 . 1 . 1 72 72 ILE CB C 13 38.416 0.000 . 1 . . . . A 73 ILE CB . 30696 1 912 . 1 . 1 72 72 ILE CG1 C 13 27.240 0.000 . 1 . . . . A 73 ILE CG1 . 30696 1 913 . 1 . 1 72 72 ILE CG2 C 13 17.605 0.000 . 1 . . . . A 73 ILE CG2 . 30696 1 914 . 1 . 1 72 72 ILE CD1 C 13 12.717 0.000 . 1 . . . . A 73 ILE CD1 . 30696 1 915 . 1 . 1 72 72 ILE N N 15 121.659 0.000 . 1 . . . . A 73 ILE N . 30696 1 916 . 1 . 1 73 73 PRO HA H 1 4.700 0.000 . 1 . . . . A 74 PRO HA . 30696 1 917 . 1 . 1 73 73 PRO HB2 H 1 1.978 0.000 . 2 . . . . A 74 PRO HB2 . 30696 1 918 . 1 . 1 73 73 PRO HB3 H 1 2.424 0.000 . 2 . . . . A 74 PRO HB3 . 30696 1 919 . 1 . 1 73 73 PRO HG2 H 1 2.073 0.000 . 2 . . . . A 74 PRO HG2 . 30696 1 920 . 1 . 1 73 73 PRO HG3 H 1 2.073 0.000 . 2 . . . . A 74 PRO HG3 . 30696 1 921 . 1 . 1 73 73 PRO HD2 H 1 3.767 0.000 . 2 . . . . A 74 PRO HD2 . 30696 1 922 . 1 . 1 73 73 PRO HD3 H 1 3.967 0.000 . 2 . . . . A 74 PRO HD3 . 30696 1 923 . 1 . 1 73 73 PRO CA C 13 62.619 0.000 . 1 . . . . A 74 PRO CA . 30696 1 924 . 1 . 1 73 73 PRO CB C 13 30.689 0.000 . 1 . . . . A 74 PRO CB . 30696 1 925 . 1 . 1 73 73 PRO CG C 13 27.912 0.000 . 1 . . . . A 74 PRO CG . 30696 1 926 . 1 . 1 73 73 PRO CD C 13 50.921 0.000 . 1 . . . . A 74 PRO CD . 30696 1 927 . 1 . 1 74 74 PRO HA H 1 4.148 0.000 . 1 . . . . A 75 PRO HA . 30696 1 928 . 1 . 1 74 74 PRO HB2 H 1 1.982 0.000 . 2 . . . . A 75 PRO HB2 . 30696 1 929 . 1 . 1 74 74 PRO HB3 H 1 2.329 0.000 . 2 . . . . A 75 PRO HB3 . 30696 1 930 . 1 . 1 74 74 PRO HG2 H 1 2.035 0.000 . 2 . . . . A 75 PRO HG2 . 30696 1 931 . 1 . 1 74 74 PRO HG3 H 1 2.151 0.000 . 2 . . . . A 75 PRO HG3 . 30696 1 932 . 1 . 1 74 74 PRO HD2 H 1 3.718 0.000 . 2 . . . . A 75 PRO HD2 . 30696 1 933 . 1 . 1 74 74 PRO HD3 H 1 3.838 0.000 . 2 . . . . A 75 PRO HD3 . 30696 1 934 . 1 . 1 74 74 PRO C C 13 177.961 0.000 . 1 . . . . A 75 PRO C . 30696 1 935 . 1 . 1 74 74 PRO CA C 13 65.605 0.000 . 1 . . . . A 75 PRO CA . 30696 1 936 . 1 . 1 74 74 PRO CB C 13 31.608 0.000 . 1 . . . . A 75 PRO CB . 30696 1 937 . 1 . 1 74 74 PRO CG C 13 27.608 0.000 . 1 . . . . A 75 PRO CG . 30696 1 938 . 1 . 1 74 74 PRO CD C 13 50.416 0.000 . 1 . . . . A 75 PRO CD . 30696 1 939 . 1 . 1 75 75 TYR H H 1 8.167 0.000 . 1 . . . . A 76 TYR H . 30696 1 940 . 1 . 1 75 75 TYR HA H 1 4.032 0.000 . 1 . . . . A 76 TYR HA . 30696 1 941 . 1 . 1 75 75 TYR HB2 H 1 2.530 0.000 . 2 . . . . A 76 TYR HB2 . 30696 1 942 . 1 . 1 75 75 TYR HB3 H 1 2.886 0.000 . 2 . . . . A 76 TYR HB3 . 30696 1 943 . 1 . 1 75 75 TYR HD1 H 1 6.889 0.000 . 1 . . . . A 76 TYR HD1 . 30696 1 944 . 1 . 1 75 75 TYR HD2 H 1 6.889 0.000 . 1 . . . . A 76 TYR HD2 . 30696 1 945 . 1 . 1 75 75 TYR HE1 H 1 6.403 0.000 . 1 . . . . A 76 TYR HE1 . 30696 1 946 . 1 . 1 75 75 TYR HE2 H 1 6.403 0.000 . 1 . . . . A 76 TYR HE2 . 30696 1 947 . 1 . 1 75 75 TYR C C 13 177.268 0.000 . 1 . . . . A 76 TYR C . 30696 1 948 . 1 . 1 75 75 TYR CA C 13 61.476 0.000 . 1 . . . . A 76 TYR CA . 30696 1 949 . 1 . 1 75 75 TYR CB C 13 38.462 0.000 . 1 . . . . A 76 TYR CB . 30696 1 950 . 1 . 1 75 75 TYR CD1 C 13 133.315 0.000 . 1 . . . . A 76 TYR CD1 . 30696 1 951 . 1 . 1 75 75 TYR CD2 C 13 133.315 0.000 . 1 . . . . A 76 TYR CD2 . 30696 1 952 . 1 . 1 75 75 TYR CE1 C 13 117.297 0.000 . 1 . . . . A 76 TYR CE1 . 30696 1 953 . 1 . 1 75 75 TYR CE2 C 13 117.297 0.000 . 1 . . . . A 76 TYR CE2 . 30696 1 954 . 1 . 1 75 75 TYR N N 15 117.318 0.000 . 1 . . . . A 76 TYR N . 30696 1 955 . 1 . 1 76 76 ASP H H 1 7.643 0.000 . 1 . . . . A 77 ASP H . 30696 1 956 . 1 . 1 76 76 ASP HA H 1 4.354 0.000 . 1 . . . . A 77 ASP HA . 30696 1 957 . 1 . 1 76 76 ASP HB2 H 1 2.639 0.000 . 2 . . . . A 77 ASP HB2 . 30696 1 958 . 1 . 1 76 76 ASP HB3 H 1 2.813 0.000 . 2 . . . . A 77 ASP HB3 . 30696 1 959 . 1 . 1 76 76 ASP C C 13 177.771 0.000 . 1 . . . . A 77 ASP C . 30696 1 960 . 1 . 1 76 76 ASP CA C 13 56.839 0.000 . 1 . . . . A 77 ASP CA . 30696 1 961 . 1 . 1 76 76 ASP CB C 13 40.744 0.000 . 1 . . . . A 77 ASP CB . 30696 1 962 . 1 . 1 76 76 ASP N N 15 119.905 0.000 . 1 . . . . A 77 ASP N . 30696 1 963 . 1 . 1 77 77 ARG H H 1 7.878 0.000 . 1 . . . . A 78 ARG H . 30696 1 964 . 1 . 1 77 77 ARG HA H 1 3.940 0.000 . 1 . . . . A 78 ARG HA . 30696 1 965 . 1 . 1 77 77 ARG HB2 H 1 1.821 0.000 . 2 . . . . A 78 ARG HB2 . 30696 1 966 . 1 . 1 77 77 ARG HB3 H 1 1.871 0.000 . 2 . . . . A 78 ARG HB3 . 30696 1 967 . 1 . 1 77 77 ARG HG2 H 1 1.452 0.000 . 1 . . . . A 78 ARG HG2 . 30696 1 968 . 1 . 1 77 77 ARG HG3 H 1 1.705 0.000 . 1 . . . . A 78 ARG HG3 . 30696 1 969 . 1 . 1 77 77 ARG HD2 H 1 3.160 0.000 . 2 . . . . A 78 ARG HD2 . 30696 1 970 . 1 . 1 77 77 ARG HD3 H 1 3.200 0.000 . 2 . . . . A 78 ARG HD3 . 30696 1 971 . 1 . 1 77 77 ARG HE H 1 7.152 0.000 . 1 . . . . A 78 ARG HE . 30696 1 972 . 1 . 1 77 77 ARG C C 13 178.847 0.000 . 1 . . . . A 78 ARG C . 30696 1 973 . 1 . 1 77 77 ARG CA C 13 58.907 0.000 . 1 . . . . A 78 ARG CA . 30696 1 974 . 1 . 1 77 77 ARG CB C 13 29.891 0.000 . 1 . . . . A 78 ARG CB . 30696 1 975 . 1 . 1 77 77 ARG CG C 13 27.220 0.000 . 1 . . . . A 78 ARG CG . 30696 1 976 . 1 . 1 77 77 ARG CD C 13 43.422 0.000 . 1 . . . . A 78 ARG CD . 30696 1 977 . 1 . 1 77 77 ARG N N 15 119.628 0.000 . 1 . . . . A 78 ARG N . 30696 1 978 . 1 . 1 77 77 ARG NE N 15 84.670 0.000 . 1 . . . . A 78 ARG NE . 30696 1 979 . 1 . 1 78 78 ASP H H 1 7.822 0.000 . 1 . . . . A 79 ASP H . 30696 1 980 . 1 . 1 78 78 ASP HA H 1 4.335 0.000 . 1 . . . . A 79 ASP HA . 30696 1 981 . 1 . 1 78 78 ASP HB2 H 1 2.539 0.000 . 2 . . . . A 79 ASP HB2 . 30696 1 982 . 1 . 1 78 78 ASP HB3 H 1 2.539 0.000 . 2 . . . . A 79 ASP HB3 . 30696 1 983 . 1 . 1 78 78 ASP C C 13 178.729 0.000 . 1 . . . . A 79 ASP C . 30696 1 984 . 1 . 1 78 78 ASP CA C 13 56.678 0.000 . 1 . . . . A 79 ASP CA . 30696 1 985 . 1 . 1 78 78 ASP CB C 13 40.046 0.000 . 1 . . . . A 79 ASP CB . 30696 1 986 . 1 . 1 78 78 ASP N N 15 119.164 0.000 . 1 . . . . A 79 ASP N . 30696 1 987 . 1 . 1 79 79 PHE H H 1 8.439 0.000 . 1 . . . . A 80 PHE H . 30696 1 988 . 1 . 1 79 79 PHE HA H 1 3.863 0.000 . 1 . . . . A 80 PHE HA . 30696 1 989 . 1 . 1 79 79 PHE HB2 H 1 2.819 0.000 . 2 . . . . A 80 PHE HB2 . 30696 1 990 . 1 . 1 79 79 PHE HB3 H 1 3.146 0.000 . 2 . . . . A 80 PHE HB3 . 30696 1 991 . 1 . 1 79 79 PHE HD1 H 1 7.306 0.000 . 1 . . . . A 80 PHE HD1 . 30696 1 992 . 1 . 1 79 79 PHE HD2 H 1 7.306 0.000 . 1 . . . . A 80 PHE HD2 . 30696 1 993 . 1 . 1 79 79 PHE HE1 H 1 7.332 0.000 . 1 . . . . A 80 PHE HE1 . 30696 1 994 . 1 . 1 79 79 PHE HE2 H 1 7.332 0.000 . 1 . . . . A 80 PHE HE2 . 30696 1 995 . 1 . 1 79 79 PHE HZ H 1 6.963 0.000 . 1 . . . . A 80 PHE HZ . 30696 1 996 . 1 . 1 79 79 PHE C C 13 175.913 0.000 . 1 . . . . A 80 PHE C . 30696 1 997 . 1 . 1 79 79 PHE CA C 13 61.045 0.000 . 1 . . . . A 80 PHE CA . 30696 1 998 . 1 . 1 79 79 PHE CB C 13 39.587 0.000 . 1 . . . . A 80 PHE CB . 30696 1 999 . 1 . 1 79 79 PHE CD1 C 13 132.713 0.000 . 1 . . . . A 80 PHE CD1 . 30696 1 1000 . 1 . 1 79 79 PHE CD2 C 13 132.713 0.000 . 1 . . . . A 80 PHE CD2 . 30696 1 1001 . 1 . 1 79 79 PHE CE1 C 13 131.526 0.000 . 1 . . . . A 80 PHE CE1 . 30696 1 1002 . 1 . 1 79 79 PHE CE2 C 13 131.526 0.000 . 1 . . . . A 80 PHE CE2 . 30696 1 1003 . 1 . 1 79 79 PHE CZ C 13 129.171 0.000 . 1 . . . . A 80 PHE CZ . 30696 1 1004 . 1 . 1 79 79 PHE N N 15 122.891 0.000 . 1 . . . . A 80 PHE N . 30696 1 1005 . 1 . 1 80 80 CYS H H 1 7.252 0.000 . 1 . . . . A 81 CYS H . 30696 1 1006 . 1 . 1 80 80 CYS HA H 1 4.062 0.000 . 1 . . . . A 81 CYS HA . 30696 1 1007 . 1 . 1 80 80 CYS HB2 H 1 2.927 0.000 . 2 . . . . A 81 CYS HB2 . 30696 1 1008 . 1 . 1 80 80 CYS HB3 H 1 3.209 0.000 . 2 . . . . A 81 CYS HB3 . 30696 1 1009 . 1 . 1 80 80 CYS C C 13 173.998 0.000 . 1 . . . . A 81 CYS C . 30696 1 1010 . 1 . 1 80 80 CYS CA C 13 60.249 0.000 . 1 . . . . A 81 CYS CA . 30696 1 1011 . 1 . 1 80 80 CYS CB C 13 27.974 0.000 . 1 . . . . A 81 CYS CB . 30696 1 1012 . 1 . 1 80 80 CYS N N 15 110.315 0.000 . 1 . . . . A 81 CYS N . 30696 1 1013 . 1 . 1 81 81 LYS H H 1 7.294 0.000 . 1 . . . . A 82 LYS H . 30696 1 1014 . 1 . 1 81 81 LYS HA H 1 4.400 0.000 . 1 . . . . A 82 LYS HA . 30696 1 1015 . 1 . 1 81 81 LYS HB2 H 1 1.755 0.000 . 2 . . . . A 82 LYS HB2 . 30696 1 1016 . 1 . 1 81 81 LYS HB3 H 1 1.927 0.000 . 2 . . . . A 82 LYS HB3 . 30696 1 1017 . 1 . 1 81 81 LYS HG2 H 1 1.328 0.000 . 2 . . . . A 82 LYS HG2 . 30696 1 1018 . 1 . 1 81 81 LYS HG3 H 1 1.587 0.000 . 2 . . . . A 82 LYS HG3 . 30696 1 1019 . 1 . 1 81 81 LYS HD2 H 1 1.667 0.000 . 2 . . . . A 82 LYS HD2 . 30696 1 1020 . 1 . 1 81 81 LYS HD3 H 1 1.667 0.000 . 2 . . . . A 82 LYS HD3 . 30696 1 1021 . 1 . 1 81 81 LYS HE2 H 1 2.910 0.000 . 2 . . . . A 82 LYS HE2 . 30696 1 1022 . 1 . 1 81 81 LYS HE3 H 1 2.948 0.000 . 2 . . . . A 82 LYS HE3 . 30696 1 1023 . 1 . 1 81 81 LYS C C 13 175.253 0.000 . 1 . . . . A 82 LYS C . 30696 1 1024 . 1 . 1 81 81 LYS CA C 13 55.690 0.000 . 1 . . . . A 82 LYS CA . 30696 1 1025 . 1 . 1 81 81 LYS CB C 13 30.095 0.000 . 1 . . . . A 82 LYS CB . 30696 1 1026 . 1 . 1 81 81 LYS CG C 13 24.784 0.000 . 1 . . . . A 82 LYS CG . 30696 1 1027 . 1 . 1 81 81 LYS CD C 13 29.481 0.000 . 1 . . . . A 82 LYS CD . 30696 1 1028 . 1 . 1 81 81 LYS CE C 13 42.134 0.000 . 1 . . . . A 82 LYS CE . 30696 1 1029 . 1 . 1 81 81 LYS N N 15 123.557 0.000 . 1 . . . . A 82 LYS N . 30696 1 1030 . 1 . 1 82 82 VAL H H 1 7.372 0.000 . 1 . . . . A 83 VAL H . 30696 1 1031 . 1 . 1 82 82 VAL HA H 1 4.462 0.000 . 1 . . . . A 83 VAL HA . 30696 1 1032 . 1 . 1 82 82 VAL HB H 1 2.083 0.000 . 1 . . . . A 83 VAL HB . 30696 1 1033 . 1 . 1 82 82 VAL HG11 H 1 0.720 0.000 . 1 . . . . A 83 VAL HG11 . 30696 1 1034 . 1 . 1 82 82 VAL HG12 H 1 0.720 0.000 . 1 . . . . A 83 VAL HG12 . 30696 1 1035 . 1 . 1 82 82 VAL HG13 H 1 0.720 0.000 . 1 . . . . A 83 VAL HG13 . 30696 1 1036 . 1 . 1 82 82 VAL HG21 H 1 0.616 0.000 . 1 . . . . A 83 VAL HG21 . 30696 1 1037 . 1 . 1 82 82 VAL HG22 H 1 0.616 0.000 . 1 . . . . A 83 VAL HG22 . 30696 1 1038 . 1 . 1 82 82 VAL HG23 H 1 0.616 0.000 . 1 . . . . A 83 VAL HG23 . 30696 1 1039 . 1 . 1 82 82 VAL C C 13 174.372 0.000 . 1 . . . . A 83 VAL C . 30696 1 1040 . 1 . 1 82 82 VAL CA C 13 58.940 0.000 . 1 . . . . A 83 VAL CA . 30696 1 1041 . 1 . 1 82 82 VAL CB C 13 34.596 0.000 . 1 . . . . A 83 VAL CB . 30696 1 1042 . 1 . 1 82 82 VAL CG1 C 13 21.814 0.000 . 1 . . . . A 83 VAL CG1 . 30696 1 1043 . 1 . 1 82 82 VAL CG2 C 13 18.444 0.000 . 1 . . . . A 83 VAL CG2 . 30696 1 1044 . 1 . 1 82 82 VAL N N 15 115.843 0.000 . 1 . . . . A 83 VAL N . 30696 1 1045 . 1 . 1 83 83 ASP H H 1 8.061 0.000 . 1 . . . . A 84 ASP H . 30696 1 1046 . 1 . 1 83 83 ASP HA H 1 4.444 0.000 . 1 . . . . A 84 ASP HA . 30696 1 1047 . 1 . 1 83 83 ASP HB2 H 1 2.748 0.000 . 2 . . . . A 84 ASP HB2 . 30696 1 1048 . 1 . 1 83 83 ASP HB3 H 1 2.931 0.000 . 2 . . . . A 84 ASP HB3 . 30696 1 1049 . 1 . 1 83 83 ASP C C 13 175.151 0.000 . 1 . . . . A 84 ASP C . 30696 1 1050 . 1 . 1 83 83 ASP CA C 13 53.278 0.000 . 1 . . . . A 84 ASP CA . 30696 1 1051 . 1 . 1 83 83 ASP CB C 13 41.095 0.000 . 1 . . . . A 84 ASP CB . 30696 1 1052 . 1 . 1 83 83 ASP N N 15 118.829 0.000 . 1 . . . . A 84 ASP N . 30696 1 1053 . 1 . 1 84 84 GLN H H 1 8.698 0.000 . 1 . . . . A 85 GLN H . 30696 1 1054 . 1 . 1 84 84 GLN HA H 1 3.940 0.000 . 1 . . . . A 85 GLN HA . 30696 1 1055 . 1 . 1 84 84 GLN HB2 H 1 2.083 0.000 . 2 . . . . A 85 GLN HB2 . 30696 1 1056 . 1 . 1 84 84 GLN HB3 H 1 2.141 0.000 . 2 . . . . A 85 GLN HB3 . 30696 1 1057 . 1 . 1 84 84 GLN HG2 H 1 2.021 0.000 . 2 . . . . A 85 GLN HG2 . 30696 1 1058 . 1 . 1 84 84 GLN HG3 H 1 2.296 0.000 . 2 . . . . A 85 GLN HG3 . 30696 1 1059 . 1 . 1 84 84 GLN HE21 H 1 7.020 0.000 . 1 . . . . A 85 GLN HE21 . 30696 1 1060 . 1 . 1 84 84 GLN HE22 H 1 6.779 0.000 . 1 . . . . A 85 GLN HE22 . 30696 1 1061 . 1 . 1 84 84 GLN C C 13 174.132 0.000 . 1 . . . . A 85 GLN C . 30696 1 1062 . 1 . 1 84 84 GLN CA C 13 61.253 0.000 . 1 . . . . A 85 GLN CA . 30696 1 1063 . 1 . 1 84 84 GLN CB C 13 26.864 0.000 . 1 . . . . A 85 GLN CB . 30696 1 1064 . 1 . 1 84 84 GLN CG C 13 35.207 0.000 . 1 . . . . A 85 GLN CG . 30696 1 1065 . 1 . 1 84 84 GLN N N 15 118.384 0.000 . 1 . . . . A 85 GLN N . 30696 1 1066 . 1 . 1 84 84 GLN NE2 N 15 109.753 0.000 . 1 . . . . A 85 GLN NE2 . 30696 1 1067 . 1 . 1 85 85 PRO HA H 1 4.212 0.000 . 1 . . . . A 86 PRO HA . 30696 1 1068 . 1 . 1 85 85 PRO HB2 H 1 1.908 0.000 . 2 . . . . A 86 PRO HB2 . 30696 1 1069 . 1 . 1 85 85 PRO HB3 H 1 2.357 0.000 . 2 . . . . A 86 PRO HB3 . 30696 1 1070 . 1 . 1 85 85 PRO HG2 H 1 1.923 0.000 . 2 . . . . A 86 PRO HG2 . 30696 1 1071 . 1 . 1 85 85 PRO HG3 H 1 2.183 0.000 . 2 . . . . A 86 PRO HG3 . 30696 1 1072 . 1 . 1 85 85 PRO HD2 H 1 3.701 0.000 . 2 . . . . A 86 PRO HD2 . 30696 1 1073 . 1 . 1 85 85 PRO HD3 H 1 3.866 0.000 . 2 . . . . A 86 PRO HD3 . 30696 1 1074 . 1 . 1 85 85 PRO C C 13 178.966 0.000 . 1 . . . . A 86 PRO C . 30696 1 1075 . 1 . 1 85 85 PRO CA C 13 66.776 0.000 . 1 . . . . A 86 PRO CA . 30696 1 1076 . 1 . 1 85 85 PRO CB C 13 30.798 0.000 . 1 . . . . A 86 PRO CB . 30696 1 1077 . 1 . 1 85 85 PRO CG C 13 28.520 0.000 . 1 . . . . A 86 PRO CG . 30696 1 1078 . 1 . 1 85 85 PRO CD C 13 49.581 0.000 . 1 . . . . A 86 PRO CD . 30696 1 1079 . 1 . 1 86 86 THR H H 1 7.544 0.000 . 1 . . . . A 87 THR H . 30696 1 1080 . 1 . 1 86 86 THR HA H 1 4.112 0.000 . 1 . . . . A 87 THR HA . 30696 1 1081 . 1 . 1 86 86 THR HB H 1 3.811 0.000 . 1 . . . . A 87 THR HB . 30696 1 1082 . 1 . 1 86 86 THR HG21 H 1 1.016 0.000 . 1 . . . . A 87 THR HG21 . 30696 1 1083 . 1 . 1 86 86 THR HG22 H 1 1.016 0.000 . 1 . . . . A 87 THR HG22 . 30696 1 1084 . 1 . 1 86 86 THR HG23 H 1 1.016 0.000 . 1 . . . . A 87 THR HG23 . 30696 1 1085 . 1 . 1 86 86 THR C C 13 175.896 0.000 . 1 . . . . A 87 THR C . 30696 1 1086 . 1 . 1 86 86 THR CA C 13 67.216 0.000 . 1 . . . . A 87 THR CA . 30696 1 1087 . 1 . 1 86 86 THR CB C 13 67.032 0.000 . 1 . . . . A 87 THR CB . 30696 1 1088 . 1 . 1 86 86 THR CG2 C 13 20.593 0.000 . 1 . . . . A 87 THR CG2 . 30696 1 1089 . 1 . 1 86 86 THR N N 15 114.147 0.000 . 1 . . . . A 87 THR N . 30696 1 1090 . 1 . 1 87 87 LEU H H 1 8.200 0.000 . 1 . . . . A 88 LEU H . 30696 1 1091 . 1 . 1 87 87 LEU HA H 1 3.820 0.000 . 1 . . . . A 88 LEU HA . 30696 1 1092 . 1 . 1 87 87 LEU HB2 H 1 1.541 0.000 . 2 . . . . A 88 LEU HB2 . 30696 1 1093 . 1 . 1 87 87 LEU HB3 H 1 1.541 0.000 . 2 . . . . A 88 LEU HB3 . 30696 1 1094 . 1 . 1 87 87 LEU HG H 1 1.306 0.000 . 1 . . . . A 88 LEU HG . 30696 1 1095 . 1 . 1 87 87 LEU HD11 H 1 0.812 0.000 . 1 . . . . A 88 LEU HD11 . 30696 1 1096 . 1 . 1 87 87 LEU HD12 H 1 0.812 0.000 . 1 . . . . A 88 LEU HD12 . 30696 1 1097 . 1 . 1 87 87 LEU HD13 H 1 0.812 0.000 . 1 . . . . A 88 LEU HD13 . 30696 1 1098 . 1 . 1 87 87 LEU HD21 H 1 0.745 0.000 . 1 . . . . A 88 LEU HD21 . 30696 1 1099 . 1 . 1 87 87 LEU HD22 H 1 0.745 0.000 . 1 . . . . A 88 LEU HD22 . 30696 1 1100 . 1 . 1 87 87 LEU HD23 H 1 0.745 0.000 . 1 . . . . A 88 LEU HD23 . 30696 1 1101 . 1 . 1 87 87 LEU C C 13 178.706 0.000 . 1 . . . . A 88 LEU C . 30696 1 1102 . 1 . 1 87 87 LEU CA C 13 58.549 0.000 . 1 . . . . A 88 LEU CA . 30696 1 1103 . 1 . 1 87 87 LEU CB C 13 41.068 0.000 . 1 . . . . A 88 LEU CB . 30696 1 1104 . 1 . 1 87 87 LEU CG C 13 26.798 0.000 . 1 . . . . A 88 LEU CG . 30696 1 1105 . 1 . 1 87 87 LEU CD1 C 13 23.938 0.000 . 1 . . . . A 88 LEU CD1 . 30696 1 1106 . 1 . 1 87 87 LEU CD2 C 13 24.901 0.000 . 1 . . . . A 88 LEU CD2 . 30696 1 1107 . 1 . 1 87 87 LEU N N 15 123.520 0.000 . 1 . . . . A 88 LEU N . 30696 1 1108 . 1 . 1 88 88 PHE H H 1 8.161 0.000 . 1 . . . . A 89 PHE H . 30696 1 1109 . 1 . 1 88 88 PHE HA H 1 4.285 0.000 . 1 . . . . A 89 PHE HA . 30696 1 1110 . 1 . 1 88 88 PHE HB2 H 1 3.021 0.000 . 2 . . . . A 89 PHE HB2 . 30696 1 1111 . 1 . 1 88 88 PHE HB3 H 1 3.181 0.000 . 2 . . . . A 89 PHE HB3 . 30696 1 1112 . 1 . 1 88 88 PHE HD1 H 1 7.225 0.000 . 1 . . . . A 89 PHE HD1 . 30696 1 1113 . 1 . 1 88 88 PHE HD2 H 1 7.225 0.000 . 1 . . . . A 89 PHE HD2 . 30696 1 1114 . 1 . 1 88 88 PHE HE1 H 1 7.128 0.000 . 1 . . . . A 89 PHE HE1 . 30696 1 1115 . 1 . 1 88 88 PHE HE2 H 1 7.128 0.000 . 1 . . . . A 89 PHE HE2 . 30696 1 1116 . 1 . 1 88 88 PHE HZ H 1 6.961 0.000 . 1 . . . . A 89 PHE HZ . 30696 1 1117 . 1 . 1 88 88 PHE C C 13 178.184 0.000 . 1 . . . . A 89 PHE C . 30696 1 1118 . 1 . 1 88 88 PHE CA C 13 61.033 0.000 . 1 . . . . A 89 PHE CA . 30696 1 1119 . 1 . 1 88 88 PHE CB C 13 37.837 0.000 . 1 . . . . A 89 PHE CB . 30696 1 1120 . 1 . 1 88 88 PHE CD1 C 13 130.834 0.000 . 1 . . . . A 89 PHE CD1 . 30696 1 1121 . 1 . 1 88 88 PHE CD2 C 13 130.834 0.000 . 1 . . . . A 89 PHE CD2 . 30696 1 1122 . 1 . 1 88 88 PHE CE1 C 13 130.882 0.000 . 1 . . . . A 89 PHE CE1 . 30696 1 1123 . 1 . 1 88 88 PHE CE2 C 13 130.882 0.000 . 1 . . . . A 89 PHE CE2 . 30696 1 1124 . 1 . 1 88 88 PHE CZ C 13 129.539 0.000 . 1 . . . . A 89 PHE CZ . 30696 1 1125 . 1 . 1 88 88 PHE N N 15 115.781 0.000 . 1 . . . . A 89 PHE N . 30696 1 1126 . 1 . 1 89 89 GLU H H 1 8.072 0.000 . 1 . . . . A 90 GLU H . 30696 1 1127 . 1 . 1 89 89 GLU HA H 1 4.181 0.000 . 1 . . . . A 90 GLU HA . 30696 1 1128 . 1 . 1 89 89 GLU HB2 H 1 2.342 0.000 . 1 . . . . A 90 GLU HB2 . 30696 1 1129 . 1 . 1 89 89 GLU HB3 H 1 2.125 0.000 . 1 . . . . A 90 GLU HB3 . 30696 1 1130 . 1 . 1 89 89 GLU HG2 H 1 2.414 0.000 . 1 . . . . A 90 GLU HG2 . 30696 1 1131 . 1 . 1 89 89 GLU HG3 H 1 2.567 0.000 . 1 . . . . A 90 GLU HG3 . 30696 1 1132 . 1 . 1 89 89 GLU C C 13 180.621 0.000 . 1 . . . . A 90 GLU C . 30696 1 1133 . 1 . 1 89 89 GLU CA C 13 59.667 0.000 . 1 . . . . A 90 GLU CA . 30696 1 1134 . 1 . 1 89 89 GLU CB C 13 28.872 0.000 . 1 . . . . A 90 GLU CB . 30696 1 1135 . 1 . 1 89 89 GLU CG C 13 35.972 0.000 . 1 . . . . A 90 GLU CG . 30696 1 1136 . 1 . 1 89 89 GLU N N 15 118.241 0.000 . 1 . . . . A 90 GLU N . 30696 1 1137 . 1 . 1 90 90 LEU H H 1 8.691 0.000 . 1 . . . . A 91 LEU H . 30696 1 1138 . 1 . 1 90 90 LEU HA H 1 4.012 0.000 . 1 . . . . A 91 LEU HA . 30696 1 1139 . 1 . 1 90 90 LEU HB2 H 1 1.289 0.000 . 2 . . . . A 91 LEU HB2 . 30696 1 1140 . 1 . 1 90 90 LEU HB3 H 1 2.338 0.000 . 2 . . . . A 91 LEU HB3 . 30696 1 1141 . 1 . 1 90 90 LEU HG H 1 1.809 0.000 . 1 . . . . A 91 LEU HG . 30696 1 1142 . 1 . 1 90 90 LEU HD11 H 1 0.725 0.000 . 1 . . . . A 91 LEU HD11 . 30696 1 1143 . 1 . 1 90 90 LEU HD12 H 1 0.725 0.000 . 1 . . . . A 91 LEU HD12 . 30696 1 1144 . 1 . 1 90 90 LEU HD13 H 1 0.725 0.000 . 1 . . . . A 91 LEU HD13 . 30696 1 1145 . 1 . 1 90 90 LEU HD21 H 1 0.884 0.000 . 1 . . . . A 91 LEU HD21 . 30696 1 1146 . 1 . 1 90 90 LEU HD22 H 1 0.884 0.000 . 1 . . . . A 91 LEU HD22 . 30696 1 1147 . 1 . 1 90 90 LEU HD23 H 1 0.884 0.000 . 1 . . . . A 91 LEU HD23 . 30696 1 1148 . 1 . 1 90 90 LEU C C 13 178.244 0.000 . 1 . . . . A 91 LEU C . 30696 1 1149 . 1 . 1 90 90 LEU CA C 13 58.385 0.000 . 1 . . . . A 91 LEU CA . 30696 1 1150 . 1 . 1 90 90 LEU CB C 13 42.707 0.000 . 1 . . . . A 91 LEU CB . 30696 1 1151 . 1 . 1 90 90 LEU CG C 13 26.955 0.000 . 1 . . . . A 91 LEU CG . 30696 1 1152 . 1 . 1 90 90 LEU CD1 C 13 25.899 0.000 . 1 . . . . A 91 LEU CD1 . 30696 1 1153 . 1 . 1 90 90 LEU CD2 C 13 24.221 0.000 . 1 . . . . A 91 LEU CD2 . 30696 1 1154 . 1 . 1 90 90 LEU N N 15 123.168 0.000 . 1 . . . . A 91 LEU N . 30696 1 1155 . 1 . 1 91 91 ILE H H 1 8.169 0.000 . 1 . . . . A 92 ILE H . 30696 1 1156 . 1 . 1 91 91 ILE HA H 1 3.505 0.000 . 1 . . . . A 92 ILE HA . 30696 1 1157 . 1 . 1 91 91 ILE HB H 1 2.126 0.000 . 1 . . . . A 92 ILE HB . 30696 1 1158 . 1 . 1 91 91 ILE HG12 H 1 1.218 0.000 . 1 . . . . A 92 ILE HG12 . 30696 1 1159 . 1 . 1 91 91 ILE HG13 H 1 1.886 0.000 . 1 . . . . A 92 ILE HG13 . 30696 1 1160 . 1 . 1 91 91 ILE HG21 H 1 0.814 0.000 . 1 . . . . A 92 ILE HG21 . 30696 1 1161 . 1 . 1 91 91 ILE HG22 H 1 0.814 0.000 . 1 . . . . A 92 ILE HG22 . 30696 1 1162 . 1 . 1 91 91 ILE HG23 H 1 0.814 0.000 . 1 . . . . A 92 ILE HG23 . 30696 1 1163 . 1 . 1 91 91 ILE HD11 H 1 0.720 0.000 . 1 . . . . A 92 ILE HD11 . 30696 1 1164 . 1 . 1 91 91 ILE HD12 H 1 0.720 0.000 . 1 . . . . A 92 ILE HD12 . 30696 1 1165 . 1 . 1 91 91 ILE HD13 H 1 0.720 0.000 . 1 . . . . A 92 ILE HD13 . 30696 1 1166 . 1 . 1 91 91 ILE C C 13 178.041 0.000 . 1 . . . . A 92 ILE C . 30696 1 1167 . 1 . 1 91 91 ILE CA C 13 66.351 0.000 . 1 . . . . A 92 ILE CA . 30696 1 1168 . 1 . 1 91 91 ILE CB C 13 37.972 0.000 . 1 . . . . A 92 ILE CB . 30696 1 1169 . 1 . 1 91 91 ILE CG1 C 13 28.542 0.000 . 1 . . . . A 92 ILE CG1 . 30696 1 1170 . 1 . 1 91 91 ILE CG2 C 13 17.244 0.000 . 1 . . . . A 92 ILE CG2 . 30696 1 1171 . 1 . 1 91 91 ILE CD1 C 13 14.715 0.000 . 1 . . . . A 92 ILE CD1 . 30696 1 1172 . 1 . 1 91 91 ILE N N 15 121.944 0.000 . 1 . . . . A 92 ILE N . 30696 1 1173 . 1 . 1 92 92 LEU H H 1 7.915 0.000 . 1 . . . . A 93 LEU H . 30696 1 1174 . 1 . 1 92 92 LEU HA H 1 3.993 0.000 . 1 . . . . A 93 LEU HA . 30696 1 1175 . 1 . 1 92 92 LEU HB2 H 1 1.616 0.000 . 2 . . . . A 93 LEU HB2 . 30696 1 1176 . 1 . 1 92 92 LEU HB3 H 1 1.985 0.000 . 2 . . . . A 93 LEU HB3 . 30696 1 1177 . 1 . 1 92 92 LEU HG H 1 1.975 0.000 . 1 . . . . A 93 LEU HG . 30696 1 1178 . 1 . 1 92 92 LEU HD11 H 1 0.909 0.000 . 1 . . . . A 93 LEU HD11 . 30696 1 1179 . 1 . 1 92 92 LEU HD12 H 1 0.909 0.000 . 1 . . . . A 93 LEU HD12 . 30696 1 1180 . 1 . 1 92 92 LEU HD13 H 1 0.909 0.000 . 1 . . . . A 93 LEU HD13 . 30696 1 1181 . 1 . 1 92 92 LEU HD21 H 1 0.991 0.000 . 1 . . . . A 93 LEU HD21 . 30696 1 1182 . 1 . 1 92 92 LEU HD22 H 1 0.991 0.000 . 1 . . . . A 93 LEU HD22 . 30696 1 1183 . 1 . 1 92 92 LEU HD23 H 1 0.991 0.000 . 1 . . . . A 93 LEU HD23 . 30696 1 1184 . 1 . 1 92 92 LEU C C 13 180.664 0.000 . 1 . . . . A 93 LEU C . 30696 1 1185 . 1 . 1 92 92 LEU CA C 13 58.080 0.000 . 1 . . . . A 93 LEU CA . 30696 1 1186 . 1 . 1 92 92 LEU CB C 13 41.281 0.000 . 1 . . . . A 93 LEU CB . 30696 1 1187 . 1 . 1 92 92 LEU CG C 13 27.036 0.000 . 1 . . . . A 93 LEU CG . 30696 1 1188 . 1 . 1 92 92 LEU CD1 C 13 25.416 0.000 . 1 . . . . A 93 LEU CD1 . 30696 1 1189 . 1 . 1 92 92 LEU CD2 C 13 24.051 0.000 . 1 . . . . A 93 LEU CD2 . 30696 1 1190 . 1 . 1 92 92 LEU N N 15 117.919 0.000 . 1 . . . . A 93 LEU N . 30696 1 1191 . 1 . 1 93 93 ALA H H 1 8.361 0.000 . 1 . . . . A 94 ALA H . 30696 1 1192 . 1 . 1 93 93 ALA HA H 1 4.336 0.000 . 1 . . . . A 94 ALA HA . 30696 1 1193 . 1 . 1 93 93 ALA HB1 H 1 1.473 0.000 . 1 . . . . A 94 ALA HB1 . 30696 1 1194 . 1 . 1 93 93 ALA HB2 H 1 1.473 0.000 . 1 . . . . A 94 ALA HB2 . 30696 1 1195 . 1 . 1 93 93 ALA HB3 H 1 1.473 0.000 . 1 . . . . A 94 ALA HB3 . 30696 1 1196 . 1 . 1 93 93 ALA C C 13 179.274 0.000 . 1 . . . . A 94 ALA C . 30696 1 1197 . 1 . 1 93 93 ALA CA C 13 55.060 0.000 . 1 . . . . A 94 ALA CA . 30696 1 1198 . 1 . 1 93 93 ALA CB C 13 18.919 0.000 . 1 . . . . A 94 ALA CB . 30696 1 1199 . 1 . 1 93 93 ALA N N 15 121.924 0.000 . 1 . . . . A 94 ALA N . 30696 1 1200 . 1 . 1 94 94 ALA H H 1 9.036 0.000 . 1 . . . . A 95 ALA H . 30696 1 1201 . 1 . 1 94 94 ALA HA H 1 3.805 0.000 . 1 . . . . A 95 ALA HA . 30696 1 1202 . 1 . 1 94 94 ALA HB1 H 1 1.425 0.000 . 1 . . . . A 95 ALA HB1 . 30696 1 1203 . 1 . 1 94 94 ALA HB2 H 1 1.425 0.000 . 1 . . . . A 95 ALA HB2 . 30696 1 1204 . 1 . 1 94 94 ALA HB3 H 1 1.425 0.000 . 1 . . . . A 95 ALA HB3 . 30696 1 1205 . 1 . 1 94 94 ALA C C 13 179.232 0.000 . 1 . . . . A 95 ALA C . 30696 1 1206 . 1 . 1 94 94 ALA CA C 13 55.613 0.000 . 1 . . . . A 95 ALA CA . 30696 1 1207 . 1 . 1 94 94 ALA CB C 13 17.755 0.000 . 1 . . . . A 95 ALA CB . 30696 1 1208 . 1 . 1 94 94 ALA N N 15 121.387 0.000 . 1 . . . . A 95 ALA N . 30696 1 1209 . 1 . 1 95 95 ASN H H 1 8.356 0.000 . 1 . . . . A 96 ASN H . 30696 1 1210 . 1 . 1 95 95 ASN HA H 1 4.642 0.000 . 1 . . . . A 96 ASN HA . 30696 1 1211 . 1 . 1 95 95 ASN HB2 H 1 2.732 0.000 . 1 . . . . A 96 ASN HB2 . 30696 1 1212 . 1 . 1 95 95 ASN HB3 H 1 2.942 0.000 . 1 . . . . A 96 ASN HB3 . 30696 1 1213 . 1 . 1 95 95 ASN HD21 H 1 7.674 0.000 . 1 . . . . A 96 ASN HD21 . 30696 1 1214 . 1 . 1 95 95 ASN HD22 H 1 6.830 0.000 . 1 . . . . A 96 ASN HD22 . 30696 1 1215 . 1 . 1 95 95 ASN C C 13 177.500 0.000 . 1 . . . . A 96 ASN C . 30696 1 1216 . 1 . 1 95 95 ASN CA C 13 56.331 0.000 . 1 . . . . A 96 ASN CA . 30696 1 1217 . 1 . 1 95 95 ASN CB C 13 40.095 0.000 . 1 . . . . A 96 ASN CB . 30696 1 1218 . 1 . 1 95 95 ASN N N 15 115.696 0.000 . 1 . . . . A 96 ASN N . 30696 1 1219 . 1 . 1 95 95 ASN ND2 N 15 112.413 0.000 . 1 . . . . A 96 ASN ND2 . 30696 1 1220 . 1 . 1 96 96 TYR H H 1 8.432 0.000 . 1 . . . . A 97 TYR H . 30696 1 1221 . 1 . 1 96 96 TYR HA H 1 4.391 0.000 . 1 . . . . A 97 TYR HA . 30696 1 1222 . 1 . 1 96 96 TYR HB2 H 1 2.974 0.000 . 2 . . . . A 97 TYR HB2 . 30696 1 1223 . 1 . 1 96 96 TYR HB3 H 1 3.517 0.000 . 2 . . . . A 97 TYR HB3 . 30696 1 1224 . 1 . 1 96 96 TYR HD1 H 1 7.023 0.000 . 1 . . . . A 97 TYR HD1 . 30696 1 1225 . 1 . 1 96 96 TYR HD2 H 1 7.023 0.000 . 1 . . . . A 97 TYR HD2 . 30696 1 1226 . 1 . 1 96 96 TYR HE1 H 1 6.676 0.000 . 1 . . . . A 97 TYR HE1 . 30696 1 1227 . 1 . 1 96 96 TYR HE2 H 1 6.676 0.000 . 1 . . . . A 97 TYR HE2 . 30696 1 1228 . 1 . 1 96 96 TYR C C 13 178.163 0.000 . 1 . . . . A 97 TYR C . 30696 1 1229 . 1 . 1 96 96 TYR CA C 13 59.888 0.000 . 1 . . . . A 97 TYR CA . 30696 1 1230 . 1 . 1 96 96 TYR CB C 13 38.535 0.000 . 1 . . . . A 97 TYR CB . 30696 1 1231 . 1 . 1 96 96 TYR CD1 C 13 133.392 0.000 . 1 . . . . A 97 TYR CD1 . 30696 1 1232 . 1 . 1 96 96 TYR CD2 C 13 133.392 0.000 . 1 . . . . A 97 TYR CD2 . 30696 1 1233 . 1 . 1 96 96 TYR CE1 C 13 117.667 0.000 . 1 . . . . A 97 TYR CE1 . 30696 1 1234 . 1 . 1 96 96 TYR CE2 C 13 117.667 0.000 . 1 . . . . A 97 TYR CE2 . 30696 1 1235 . 1 . 1 96 96 TYR N N 15 121.179 0.000 . 1 . . . . A 97 TYR N . 30696 1 1236 . 1 . 1 97 97 LEU H H 1 8.966 0.000 . 1 . . . . A 98 LEU H . 30696 1 1237 . 1 . 1 97 97 LEU HA H 1 3.637 0.000 . 1 . . . . A 98 LEU HA . 30696 1 1238 . 1 . 1 97 97 LEU HB2 H 1 1.405 0.000 . 2 . . . . A 98 LEU HB2 . 30696 1 1239 . 1 . 1 97 97 LEU HB3 H 1 1.808 0.000 . 2 . . . . A 98 LEU HB3 . 30696 1 1240 . 1 . 1 97 97 LEU HG H 1 1.944 0.000 . 1 . . . . A 98 LEU HG . 30696 1 1241 . 1 . 1 97 97 LEU HD11 H 1 0.811 0.000 . 1 . . . . A 98 LEU HD11 . 30696 1 1242 . 1 . 1 97 97 LEU HD12 H 1 0.811 0.000 . 1 . . . . A 98 LEU HD12 . 30696 1 1243 . 1 . 1 97 97 LEU HD13 H 1 0.811 0.000 . 1 . . . . A 98 LEU HD13 . 30696 1 1244 . 1 . 1 97 97 LEU HD21 H 1 0.654 0.000 . 1 . . . . A 98 LEU HD21 . 30696 1 1245 . 1 . 1 97 97 LEU HD22 H 1 0.654 0.000 . 1 . . . . A 98 LEU HD22 . 30696 1 1246 . 1 . 1 97 97 LEU HD23 H 1 0.654 0.000 . 1 . . . . A 98 LEU HD23 . 30696 1 1247 . 1 . 1 97 97 LEU C C 13 176.526 0.000 . 1 . . . . A 98 LEU C . 30696 1 1248 . 1 . 1 97 97 LEU CA C 13 54.553 0.000 . 1 . . . . A 98 LEU CA . 30696 1 1249 . 1 . 1 97 97 LEU CB C 13 41.396 0.000 . 1 . . . . A 98 LEU CB . 30696 1 1250 . 1 . 1 97 97 LEU CG C 13 27.021 0.000 . 1 . . . . A 98 LEU CG . 30696 1 1251 . 1 . 1 97 97 LEU CD1 C 13 26.129 0.000 . 1 . . . . A 98 LEU CD1 . 30696 1 1252 . 1 . 1 97 97 LEU CD2 C 13 22.339 0.000 . 1 . . . . A 98 LEU CD2 . 30696 1 1253 . 1 . 1 97 97 LEU N N 15 114.980 0.000 . 1 . . . . A 98 LEU N . 30696 1 1254 . 1 . 1 98 98 ASP H H 1 7.841 0.000 . 1 . . . . A 99 ASP H . 30696 1 1255 . 1 . 1 98 98 ASP HA H 1 4.348 0.000 . 1 . . . . A 99 ASP HA . 30696 1 1256 . 1 . 1 98 98 ASP HB2 H 1 2.237 0.000 . 2 . . . . A 99 ASP HB2 . 30696 1 1257 . 1 . 1 98 98 ASP HB3 H 1 3.317 0.000 . 2 . . . . A 99 ASP HB3 . 30696 1 1258 . 1 . 1 98 98 ASP C C 13 174.047 0.000 . 1 . . . . A 99 ASP C . 30696 1 1259 . 1 . 1 98 98 ASP CA C 13 54.842 0.000 . 1 . . . . A 99 ASP CA . 30696 1 1260 . 1 . 1 98 98 ASP CB C 13 38.926 0.000 . 1 . . . . A 99 ASP CB . 30696 1 1261 . 1 . 1 98 98 ASP N N 15 125.562 0.000 . 1 . . . . A 99 ASP N . 30696 1 1262 . 1 . 1 99 99 ILE H H 1 7.950 0.000 . 1 . . . . A 100 ILE H . 30696 1 1263 . 1 . 1 99 99 ILE HA H 1 4.660 0.000 . 1 . . . . A 100 ILE HA . 30696 1 1264 . 1 . 1 99 99 ILE HB H 1 1.699 0.000 . 1 . . . . A 100 ILE HB . 30696 1 1265 . 1 . 1 99 99 ILE HG12 H 1 1.508 0.000 . 1 . . . . A 100 ILE HG12 . 30696 1 1266 . 1 . 1 99 99 ILE HG13 H 1 0.839 0.000 . 1 . . . . A 100 ILE HG13 . 30696 1 1267 . 1 . 1 99 99 ILE HG21 H 1 0.901 0.000 . 1 . . . . A 100 ILE HG21 . 30696 1 1268 . 1 . 1 99 99 ILE HG22 H 1 0.901 0.000 . 1 . . . . A 100 ILE HG22 . 30696 1 1269 . 1 . 1 99 99 ILE HG23 H 1 0.901 0.000 . 1 . . . . A 100 ILE HG23 . 30696 1 1270 . 1 . 1 99 99 ILE HD11 H 1 0.691 0.000 . 1 . . . . A 100 ILE HD11 . 30696 1 1271 . 1 . 1 99 99 ILE HD12 H 1 0.691 0.000 . 1 . . . . A 100 ILE HD12 . 30696 1 1272 . 1 . 1 99 99 ILE HD13 H 1 0.691 0.000 . 1 . . . . A 100 ILE HD13 . 30696 1 1273 . 1 . 1 99 99 ILE C C 13 175.756 0.000 . 1 . . . . A 100 ILE C . 30696 1 1274 . 1 . 1 99 99 ILE CA C 13 59.378 0.000 . 1 . . . . A 100 ILE CA . 30696 1 1275 . 1 . 1 99 99 ILE CB C 13 38.169 0.000 . 1 . . . . A 100 ILE CB . 30696 1 1276 . 1 . 1 99 99 ILE CG1 C 13 26.671 0.000 . 1 . . . . A 100 ILE CG1 . 30696 1 1277 . 1 . 1 99 99 ILE CG2 C 13 19.741 0.000 . 1 . . . . A 100 ILE CG2 . 30696 1 1278 . 1 . 1 99 99 ILE CD1 C 13 16.111 0.000 . 1 . . . . A 100 ILE CD1 . 30696 1 1279 . 1 . 1 99 99 ILE N N 15 121.353 0.000 . 1 . . . . A 100 ILE N . 30696 1 1280 . 1 . 1 100 100 LYS H H 1 9.196 0.000 . 1 . . . . A 101 LYS H . 30696 1 1281 . 1 . 1 100 100 LYS HA H 1 4.208 0.000 . 1 . . . . A 101 LYS HA . 30696 1 1282 . 1 . 1 100 100 LYS HB2 H 1 1.956 0.000 . 2 . . . . A 101 LYS HB2 . 30696 1 1283 . 1 . 1 100 100 LYS HB3 H 1 2.021 0.000 . 2 . . . . A 101 LYS HB3 . 30696 1 1284 . 1 . 1 100 100 LYS HG2 H 1 1.513 0.000 . 2 . . . . A 101 LYS HG2 . 30696 1 1285 . 1 . 1 100 100 LYS HG3 H 1 1.601 0.000 . 2 . . . . A 101 LYS HG3 . 30696 1 1286 . 1 . 1 100 100 LYS HD2 H 1 1.696 0.000 . 2 . . . . A 101 LYS HD2 . 30696 1 1287 . 1 . 1 100 100 LYS HD3 H 1 1.744 0.000 . 2 . . . . A 101 LYS HD3 . 30696 1 1288 . 1 . 1 100 100 LYS HE2 H 1 3.033 0.000 . 2 . . . . A 101 LYS HE2 . 30696 1 1289 . 1 . 1 100 100 LYS HE3 H 1 3.033 0.000 . 2 . . . . A 101 LYS HE3 . 30696 1 1290 . 1 . 1 100 100 LYS C C 13 175.727 0.000 . 1 . . . . A 101 LYS C . 30696 1 1291 . 1 . 1 100 100 LYS CA C 13 61.662 0.000 . 1 . . . . A 101 LYS CA . 30696 1 1292 . 1 . 1 100 100 LYS CB C 13 29.869 0.000 . 1 . . . . A 101 LYS CB . 30696 1 1293 . 1 . 1 100 100 LYS CG C 13 25.120 0.000 . 1 . . . . A 101 LYS CG . 30696 1 1294 . 1 . 1 100 100 LYS CD C 13 28.786 0.000 . 1 . . . . A 101 LYS CD . 30696 1 1295 . 1 . 1 100 100 LYS CE C 13 42.238 0.000 . 1 . . . . A 101 LYS CE . 30696 1 1296 . 1 . 1 100 100 LYS N N 15 128.101 0.000 . 1 . . . . A 101 LYS N . 30696 1 1297 . 1 . 1 101 101 PRO HA H 1 4.458 0.000 . 1 . . . . A 102 PRO HA . 30696 1 1298 . 1 . 1 101 101 PRO HB2 H 1 1.981 0.000 . 1 . . . . A 102 PRO HB2 . 30696 1 1299 . 1 . 1 101 101 PRO HB3 H 1 2.290 0.000 . 1 . . . . A 102 PRO HB3 . 30696 1 1300 . 1 . 1 101 101 PRO HG2 H 1 1.951 0.000 . 2 . . . . A 102 PRO HG2 . 30696 1 1301 . 1 . 1 101 101 PRO HG3 H 1 2.084 0.000 . 2 . . . . A 102 PRO HG3 . 30696 1 1302 . 1 . 1 101 101 PRO HD2 H 1 3.765 0.000 . 2 . . . . A 102 PRO HD2 . 30696 1 1303 . 1 . 1 101 101 PRO HD3 H 1 3.889 0.000 . 2 . . . . A 102 PRO HD3 . 30696 1 1304 . 1 . 1 101 101 PRO C C 13 178.557 0.000 . 1 . . . . A 102 PRO C . 30696 1 1305 . 1 . 1 101 101 PRO CA C 13 65.913 0.000 . 1 . . . . A 102 PRO CA . 30696 1 1306 . 1 . 1 101 101 PRO CB C 13 30.440 0.000 . 1 . . . . A 102 PRO CB . 30696 1 1307 . 1 . 1 101 101 PRO CG C 13 28.379 0.000 . 1 . . . . A 102 PRO CG . 30696 1 1308 . 1 . 1 101 101 PRO CD C 13 50.126 0.000 . 1 . . . . A 102 PRO CD . 30696 1 1309 . 1 . 1 102 102 LEU H H 1 6.434 0.000 . 1 . . . . A 103 LEU H . 30696 1 1310 . 1 . 1 102 102 LEU HA H 1 3.803 0.000 . 1 . . . . A 103 LEU HA . 30696 1 1311 . 1 . 1 102 102 LEU HB2 H 1 0.807 0.000 . 2 . . . . A 103 LEU HB2 . 30696 1 1312 . 1 . 1 102 102 LEU HB3 H 1 1.597 0.000 . 2 . . . . A 103 LEU HB3 . 30696 1 1313 . 1 . 1 102 102 LEU HG H 1 1.145 0.000 . 1 . . . . A 103 LEU HG . 30696 1 1314 . 1 . 1 102 102 LEU HD11 H 1 0.121 0.000 . 2 . . . . A 103 LEU HD11 . 30696 1 1315 . 1 . 1 102 102 LEU HD12 H 1 0.121 0.000 . 2 . . . . A 103 LEU HD12 . 30696 1 1316 . 1 . 1 102 102 LEU HD13 H 1 0.121 0.000 . 2 . . . . A 103 LEU HD13 . 30696 1 1317 . 1 . 1 102 102 LEU HD21 H 1 0.641 0.000 . 2 . . . . A 103 LEU HD21 . 30696 1 1318 . 1 . 1 102 102 LEU HD22 H 1 0.641 0.000 . 2 . . . . A 103 LEU HD22 . 30696 1 1319 . 1 . 1 102 102 LEU HD23 H 1 0.641 0.000 . 2 . . . . A 103 LEU HD23 . 30696 1 1320 . 1 . 1 102 102 LEU C C 13 178.681 0.000 . 1 . . . . A 103 LEU C . 30696 1 1321 . 1 . 1 102 102 LEU CA C 13 55.861 0.000 . 1 . . . . A 103 LEU CA . 30696 1 1322 . 1 . 1 102 102 LEU CB C 13 40.782 0.000 . 1 . . . . A 103 LEU CB . 30696 1 1323 . 1 . 1 102 102 LEU CG C 13 26.482 0.000 . 1 . . . . A 103 LEU CG . 30696 1 1324 . 1 . 1 102 102 LEU CD1 C 13 22.406 0.000 . 1 . . . . A 103 LEU CD1 . 30696 1 1325 . 1 . 1 102 102 LEU CD2 C 13 26.486 0.000 . 1 . . . . A 103 LEU CD2 . 30696 1 1326 . 1 . 1 102 102 LEU N N 15 116.343 0.000 . 1 . . . . A 103 LEU N . 30696 1 1327 . 1 . 1 103 103 LEU H H 1 7.786 0.000 . 1 . . . . A 104 LEU H . 30696 1 1328 . 1 . 1 103 103 LEU HA H 1 3.768 0.000 . 1 . . . . A 104 LEU HA . 30696 1 1329 . 1 . 1 103 103 LEU HB2 H 1 1.503 0.000 . 1 . . . . A 104 LEU HB2 . 30696 1 1330 . 1 . 1 103 103 LEU HB3 H 1 1.897 0.000 . 1 . . . . A 104 LEU HB3 . 30696 1 1331 . 1 . 1 103 103 LEU HG H 1 1.547 0.000 . 1 . . . . A 104 LEU HG . 30696 1 1332 . 1 . 1 103 103 LEU HD11 H 1 0.908 0.000 . 1 . . . . A 104 LEU HD11 . 30696 1 1333 . 1 . 1 103 103 LEU HD12 H 1 0.908 0.000 . 1 . . . . A 104 LEU HD12 . 30696 1 1334 . 1 . 1 103 103 LEU HD13 H 1 0.908 0.000 . 1 . . . . A 104 LEU HD13 . 30696 1 1335 . 1 . 1 103 103 LEU HD21 H 1 0.830 0.000 . 1 . . . . A 104 LEU HD21 . 30696 1 1336 . 1 . 1 103 103 LEU HD22 H 1 0.830 0.000 . 1 . . . . A 104 LEU HD22 . 30696 1 1337 . 1 . 1 103 103 LEU HD23 H 1 0.830 0.000 . 1 . . . . A 104 LEU HD23 . 30696 1 1338 . 1 . 1 103 103 LEU C C 13 177.585 0.000 . 1 . . . . A 104 LEU C . 30696 1 1339 . 1 . 1 103 103 LEU CA C 13 58.138 0.000 . 1 . . . . A 104 LEU CA . 30696 1 1340 . 1 . 1 103 103 LEU CB C 13 41.893 0.000 . 1 . . . . A 104 LEU CB . 30696 1 1341 . 1 . 1 103 103 LEU CG C 13 27.375 0.000 . 1 . . . . A 104 LEU CG . 30696 1 1342 . 1 . 1 103 103 LEU CD1 C 13 25.648 0.000 . 1 . . . . A 104 LEU CD1 . 30696 1 1343 . 1 . 1 103 103 LEU CD2 C 13 25.888 0.000 . 1 . . . . A 104 LEU CD2 . 30696 1 1344 . 1 . 1 103 103 LEU N N 15 124.262 0.000 . 1 . . . . A 104 LEU N . 30696 1 1345 . 1 . 1 104 104 ASP H H 1 8.136 0.000 . 1 . . . . A 105 ASP H . 30696 1 1346 . 1 . 1 104 104 ASP HA H 1 4.342 0.000 . 1 . . . . A 105 ASP HA . 30696 1 1347 . 1 . 1 104 104 ASP HB2 H 1 2.636 0.000 . 2 . . . . A 105 ASP HB2 . 30696 1 1348 . 1 . 1 104 104 ASP HB3 H 1 2.636 0.000 . 2 . . . . A 105 ASP HB3 . 30696 1 1349 . 1 . 1 104 104 ASP C C 13 178.591 0.000 . 1 . . . . A 105 ASP C . 30696 1 1350 . 1 . 1 104 104 ASP CA C 13 57.826 0.000 . 1 . . . . A 105 ASP CA . 30696 1 1351 . 1 . 1 104 104 ASP CB C 13 41.029 0.000 . 1 . . . . A 105 ASP CB . 30696 1 1352 . 1 . 1 104 104 ASP N N 15 116.898 0.000 . 1 . . . . A 105 ASP N . 30696 1 1353 . 1 . 1 105 105 VAL H H 1 7.666 0.000 . 1 . . . . A 106 VAL H . 30696 1 1354 . 1 . 1 105 105 VAL HA H 1 4.049 0.000 . 1 . . . . A 106 VAL HA . 30696 1 1355 . 1 . 1 105 105 VAL HB H 1 2.274 0.000 . 1 . . . . A 106 VAL HB . 30696 1 1356 . 1 . 1 105 105 VAL HG11 H 1 1.108 0.000 . 1 . . . . A 106 VAL HG11 . 30696 1 1357 . 1 . 1 105 105 VAL HG12 H 1 1.108 0.000 . 1 . . . . A 106 VAL HG12 . 30696 1 1358 . 1 . 1 105 105 VAL HG13 H 1 1.108 0.000 . 1 . . . . A 106 VAL HG13 . 30696 1 1359 . 1 . 1 105 105 VAL HG21 H 1 1.139 0.000 . 1 . . . . A 106 VAL HG21 . 30696 1 1360 . 1 . 1 105 105 VAL HG22 H 1 1.139 0.000 . 1 . . . . A 106 VAL HG22 . 30696 1 1361 . 1 . 1 105 105 VAL HG23 H 1 1.139 0.000 . 1 . . . . A 106 VAL HG23 . 30696 1 1362 . 1 . 1 105 105 VAL C C 13 178.599 0.000 . 1 . . . . A 106 VAL C . 30696 1 1363 . 1 . 1 105 105 VAL CA C 13 65.690 0.000 . 1 . . . . A 106 VAL CA . 30696 1 1364 . 1 . 1 105 105 VAL CB C 13 31.557 0.000 . 1 . . . . A 106 VAL CB . 30696 1 1365 . 1 . 1 105 105 VAL CG1 C 13 20.695 0.000 . 1 . . . . A 106 VAL CG1 . 30696 1 1366 . 1 . 1 105 105 VAL CG2 C 13 22.490 0.000 . 1 . . . . A 106 VAL CG2 . 30696 1 1367 . 1 . 1 105 105 VAL N N 15 115.925 0.000 . 1 . . . . A 106 VAL N . 30696 1 1368 . 1 . 1 106 106 THR H H 1 7.881 0.000 . 1 . . . . A 107 THR H . 30696 1 1369 . 1 . 1 106 106 THR HA H 1 3.993 0.000 . 1 . . . . A 107 THR HA . 30696 1 1370 . 1 . 1 106 106 THR HB H 1 3.894 0.000 . 1 . . . . A 107 THR HB . 30696 1 1371 . 1 . 1 106 106 THR HG1 H 1 4.075 0.000 . 1 . . . . A 107 THR HG1 . 30696 1 1372 . 1 . 1 106 106 THR HG21 H 1 1.208 0.000 . 1 . . . . A 107 THR HG21 . 30696 1 1373 . 1 . 1 106 106 THR HG22 H 1 1.208 0.000 . 1 . . . . A 107 THR HG22 . 30696 1 1374 . 1 . 1 106 106 THR HG23 H 1 1.208 0.000 . 1 . . . . A 107 THR HG23 . 30696 1 1375 . 1 . 1 106 106 THR C C 13 177.670 0.000 . 1 . . . . A 107 THR C . 30696 1 1376 . 1 . 1 106 106 THR CA C 13 65.865 0.000 . 1 . . . . A 107 THR CA . 30696 1 1377 . 1 . 1 106 106 THR CB C 13 67.595 0.000 . 1 . . . . A 107 THR CB . 30696 1 1378 . 1 . 1 106 106 THR CG2 C 13 23.945 0.000 . 1 . . . . A 107 THR CG2 . 30696 1 1379 . 1 . 1 106 106 THR N N 15 115.968 0.000 . 1 . . . . A 107 THR N . 30696 1 1380 . 1 . 1 107 107 CYS H H 1 8.306 0.000 . 1 . . . . A 108 CYS H . 30696 1 1381 . 1 . 1 107 107 CYS HA H 1 4.124 0.000 . 1 . . . . A 108 CYS HA . 30696 1 1382 . 1 . 1 107 107 CYS HB2 H 1 2.741 0.000 . 2 . . . . A 108 CYS HB2 . 30696 1 1383 . 1 . 1 107 107 CYS HB3 H 1 3.110 0.000 . 2 . . . . A 108 CYS HB3 . 30696 1 1384 . 1 . 1 107 107 CYS HG H 1 2.531 0.000 . 1 . . . . A 108 CYS HG . 30696 1 1385 . 1 . 1 107 107 CYS C C 13 177.057 0.000 . 1 . . . . A 108 CYS C . 30696 1 1386 . 1 . 1 107 107 CYS CA C 13 64.975 0.000 . 1 . . . . A 108 CYS CA . 30696 1 1387 . 1 . 1 107 107 CYS CB C 13 26.960 0.000 . 1 . . . . A 108 CYS CB . 30696 1 1388 . 1 . 1 107 107 CYS N N 15 120.558 0.000 . 1 . . . . A 108 CYS N . 30696 1 1389 . 1 . 1 108 108 LYS H H 1 8.220 0.000 . 1 . . . . A 109 LYS H . 30696 1 1390 . 1 . 1 108 108 LYS HA H 1 3.965 0.000 . 1 . . . . A 109 LYS HA . 30696 1 1391 . 1 . 1 108 108 LYS HB2 H 1 1.874 0.000 . 2 . . . . A 109 LYS HB2 . 30696 1 1392 . 1 . 1 108 108 LYS HB3 H 1 1.922 0.000 . 2 . . . . A 109 LYS HB3 . 30696 1 1393 . 1 . 1 108 108 LYS HG2 H 1 1.434 0.000 . 2 . . . . A 109 LYS HG2 . 30696 1 1394 . 1 . 1 108 108 LYS HG3 H 1 1.645 0.000 . 2 . . . . A 109 LYS HG3 . 30696 1 1395 . 1 . 1 108 108 LYS HD2 H 1 1.617 0.000 . 2 . . . . A 109 LYS HD2 . 30696 1 1396 . 1 . 1 108 108 LYS HD3 H 1 1.617 0.000 . 2 . . . . A 109 LYS HD3 . 30696 1 1397 . 1 . 1 108 108 LYS HE2 H 1 2.946 0.000 . 2 . . . . A 109 LYS HE2 . 30696 1 1398 . 1 . 1 108 108 LYS HE3 H 1 2.946 0.000 . 2 . . . . A 109 LYS HE3 . 30696 1 1399 . 1 . 1 108 108 LYS C C 13 178.725 0.000 . 1 . . . . A 109 LYS C . 30696 1 1400 . 1 . 1 108 108 LYS CA C 13 59.763 0.000 . 1 . . . . A 109 LYS CA . 30696 1 1401 . 1 . 1 108 108 LYS CB C 13 32.335 0.000 . 1 . . . . A 109 LYS CB . 30696 1 1402 . 1 . 1 108 108 LYS CG C 13 26.102 0.000 . 1 . . . . A 109 LYS CG . 30696 1 1403 . 1 . 1 108 108 LYS CD C 13 29.304 0.000 . 1 . . . . A 109 LYS CD . 30696 1 1404 . 1 . 1 108 108 LYS CE C 13 42.069 0.000 . 1 . . . . A 109 LYS CE . 30696 1 1405 . 1 . 1 108 108 LYS N N 15 119.486 0.000 . 1 . . . . A 109 LYS N . 30696 1 1406 . 1 . 1 109 109 THR H H 1 7.616 0.000 . 1 . . . . A 110 THR H . 30696 1 1407 . 1 . 1 109 109 THR HA H 1 3.920 0.000 . 1 . . . . A 110 THR HA . 30696 1 1408 . 1 . 1 109 109 THR HB H 1 4.487 0.000 . 1 . . . . A 110 THR HB . 30696 1 1409 . 1 . 1 109 109 THR HG21 H 1 1.259 0.000 . 1 . . . . A 110 THR HG21 . 30696 1 1410 . 1 . 1 109 109 THR HG22 H 1 1.259 0.000 . 1 . . . . A 110 THR HG22 . 30696 1 1411 . 1 . 1 109 109 THR HG23 H 1 1.259 0.000 . 1 . . . . A 110 THR HG23 . 30696 1 1412 . 1 . 1 109 109 THR C C 13 176.809 0.000 . 1 . . . . A 110 THR C . 30696 1 1413 . 1 . 1 109 109 THR CA C 13 67.388 0.000 . 1 . . . . A 110 THR CA . 30696 1 1414 . 1 . 1 109 109 THR CB C 13 68.275 0.000 . 1 . . . . A 110 THR CB . 30696 1 1415 . 1 . 1 109 109 THR CG2 C 13 21.723 0.000 . 1 . . . . A 110 THR CG2 . 30696 1 1416 . 1 . 1 109 109 THR N N 15 115.908 0.000 . 1 . . . . A 110 THR N . 30696 1 1417 . 1 . 1 110 110 VAL H H 1 7.751 0.000 . 1 . . . . A 111 VAL H . 30696 1 1418 . 1 . 1 110 110 VAL HA H 1 3.593 0.000 . 1 . . . . A 111 VAL HA . 30696 1 1419 . 1 . 1 110 110 VAL HB H 1 2.009 0.000 . 1 . . . . A 111 VAL HB . 30696 1 1420 . 1 . 1 110 110 VAL HG11 H 1 0.538 0.000 . 2 . . . . A 111 VAL HG11 . 30696 1 1421 . 1 . 1 110 110 VAL HG12 H 1 0.538 0.000 . 2 . . . . A 111 VAL HG12 . 30696 1 1422 . 1 . 1 110 110 VAL HG13 H 1 0.538 0.000 . 2 . . . . A 111 VAL HG13 . 30696 1 1423 . 1 . 1 110 110 VAL HG21 H 1 0.814 0.000 . 2 . . . . A 111 VAL HG21 . 30696 1 1424 . 1 . 1 110 110 VAL HG22 H 1 0.814 0.000 . 2 . . . . A 111 VAL HG22 . 30696 1 1425 . 1 . 1 110 110 VAL HG23 H 1 0.814 0.000 . 2 . . . . A 111 VAL HG23 . 30696 1 1426 . 1 . 1 110 110 VAL C C 13 177.362 0.000 . 1 . . . . A 111 VAL C . 30696 1 1427 . 1 . 1 110 110 VAL CA C 13 66.258 0.000 . 1 . . . . A 111 VAL CA . 30696 1 1428 . 1 . 1 110 110 VAL CB C 13 31.316 0.000 . 1 . . . . A 111 VAL CB . 30696 1 1429 . 1 . 1 110 110 VAL CG1 C 13 21.226 0.000 . 1 . . . . A 111 VAL CG1 . 30696 1 1430 . 1 . 1 110 110 VAL CG2 C 13 24.056 0.000 . 1 . . . . A 111 VAL CG2 . 30696 1 1431 . 1 . 1 110 110 VAL N N 15 122.000 0.000 . 1 . . . . A 111 VAL N . 30696 1 1432 . 1 . 1 111 111 ALA H H 1 8.155 0.000 . 1 . . . . A 112 ALA H . 30696 1 1433 . 1 . 1 111 111 ALA HA H 1 3.914 0.000 . 1 . . . . A 112 ALA HA . 30696 1 1434 . 1 . 1 111 111 ALA HB1 H 1 1.486 0.000 . 1 . . . . A 112 ALA HB1 . 30696 1 1435 . 1 . 1 111 111 ALA HB2 H 1 1.486 0.000 . 1 . . . . A 112 ALA HB2 . 30696 1 1436 . 1 . 1 111 111 ALA HB3 H 1 1.486 0.000 . 1 . . . . A 112 ALA HB3 . 30696 1 1437 . 1 . 1 111 111 ALA C C 13 179.341 0.000 . 1 . . . . A 112 ALA C . 30696 1 1438 . 1 . 1 111 111 ALA CA C 13 55.126 0.000 . 1 . . . . A 112 ALA CA . 30696 1 1439 . 1 . 1 111 111 ALA CB C 13 17.979 0.000 . 1 . . . . A 112 ALA CB . 30696 1 1440 . 1 . 1 111 111 ALA N N 15 121.376 0.000 . 1 . . . . A 112 ALA N . 30696 1 1441 . 1 . 1 112 112 ASN H H 1 7.714 0.000 . 1 . . . . A 113 ASN H . 30696 1 1442 . 1 . 1 112 112 ASN HA H 1 4.566 0.000 . 1 . . . . A 113 ASN HA . 30696 1 1443 . 1 . 1 112 112 ASN HB2 H 1 2.895 0.000 . 2 . . . . A 113 ASN HB2 . 30696 1 1444 . 1 . 1 112 112 ASN HB3 H 1 2.895 0.000 . 2 . . . . A 113 ASN HB3 . 30696 1 1445 . 1 . 1 112 112 ASN HD21 H 1 6.860 0.000 . 2 . . . . A 113 ASN HD21 . 30696 1 1446 . 1 . 1 112 112 ASN HD22 H 1 7.607 0.000 . 2 . . . . A 113 ASN HD22 . 30696 1 1447 . 1 . 1 112 112 ASN C C 13 176.922 0.000 . 1 . . . . A 113 ASN C . 30696 1 1448 . 1 . 1 112 112 ASN CA C 13 54.862 0.000 . 1 . . . . A 113 ASN CA . 30696 1 1449 . 1 . 1 112 112 ASN CB C 13 38.532 0.000 . 1 . . . . A 113 ASN CB . 30696 1 1450 . 1 . 1 112 112 ASN N N 15 114.139 0.000 . 1 . . . . A 113 ASN N . 30696 1 1451 . 1 . 1 112 112 ASN ND2 N 15 111.820 0.000 . 1 . . . . A 113 ASN ND2 . 30696 1 1452 . 1 . 1 113 113 MET H H 1 7.937 0.000 . 1 . . . . A 114 MET H . 30696 1 1453 . 1 . 1 113 113 MET HA H 1 4.287 0.000 . 1 . . . . A 114 MET HA . 30696 1 1454 . 1 . 1 113 113 MET HB2 H 1 2.205 0.000 . 2 . . . . A 114 MET HB2 . 30696 1 1455 . 1 . 1 113 113 MET HB3 H 1 2.205 0.000 . 2 . . . . A 114 MET HB3 . 30696 1 1456 . 1 . 1 113 113 MET HG2 H 1 2.593 0.000 . 1 . . . . A 114 MET HG2 . 30696 1 1457 . 1 . 1 113 113 MET HG3 H 1 2.713 0.000 . 1 . . . . A 114 MET HG3 . 30696 1 1458 . 1 . 1 113 113 MET HE1 H 1 2.036 0.000 . 1 . . . . A 114 MET HE1 . 30696 1 1459 . 1 . 1 113 113 MET HE2 H 1 2.036 0.000 . 1 . . . . A 114 MET HE2 . 30696 1 1460 . 1 . 1 113 113 MET HE3 H 1 2.036 0.000 . 1 . . . . A 114 MET HE3 . 30696 1 1461 . 1 . 1 113 113 MET C C 13 177.454 0.000 . 1 . . . . A 114 MET C . 30696 1 1462 . 1 . 1 113 113 MET CA C 13 57.781 0.000 . 1 . . . . A 114 MET CA . 30696 1 1463 . 1 . 1 113 113 MET CB C 13 33.454 0.000 . 1 . . . . A 114 MET CB . 30696 1 1464 . 1 . 1 113 113 MET CG C 13 31.947 0.000 . 1 . . . . A 114 MET CG . 30696 1 1465 . 1 . 1 113 113 MET CE C 13 17.073 0.000 . 1 . . . . A 114 MET CE . 30696 1 1466 . 1 . 1 113 113 MET N N 15 118.929 0.000 . 1 . . . . A 114 MET N . 30696 1 1467 . 1 . 1 114 114 ILE H H 1 7.653 0.000 . 1 . . . . A 115 ILE H . 30696 1 1468 . 1 . 1 114 114 ILE HA H 1 4.203 0.000 . 1 . . . . A 115 ILE HA . 30696 1 1469 . 1 . 1 114 114 ILE HB H 1 2.020 0.000 . 1 . . . . A 115 ILE HB . 30696 1 1470 . 1 . 1 114 114 ILE HG12 H 1 1.320 0.000 . 2 . . . . A 115 ILE HG12 . 30696 1 1471 . 1 . 1 114 114 ILE HG13 H 1 1.572 0.000 . 2 . . . . A 115 ILE HG13 . 30696 1 1472 . 1 . 1 114 114 ILE HG21 H 1 0.948 0.000 . 1 . . . . A 115 ILE HG21 . 30696 1 1473 . 1 . 1 114 114 ILE HG22 H 1 0.948 0.000 . 1 . . . . A 115 ILE HG22 . 30696 1 1474 . 1 . 1 114 114 ILE HG23 H 1 0.948 0.000 . 1 . . . . A 115 ILE HG23 . 30696 1 1475 . 1 . 1 114 114 ILE HD11 H 1 0.875 0.000 . 1 . . . . A 115 ILE HD11 . 30696 1 1476 . 1 . 1 114 114 ILE HD12 H 1 0.875 0.000 . 1 . . . . A 115 ILE HD12 . 30696 1 1477 . 1 . 1 114 114 ILE HD13 H 1 0.875 0.000 . 1 . . . . A 115 ILE HD13 . 30696 1 1478 . 1 . 1 114 114 ILE C C 13 176.309 0.000 . 1 . . . . A 115 ILE C . 30696 1 1479 . 1 . 1 114 114 ILE CA C 13 62.310 0.000 . 1 . . . . A 115 ILE CA . 30696 1 1480 . 1 . 1 114 114 ILE CB C 13 38.496 0.000 . 1 . . . . A 115 ILE CB . 30696 1 1481 . 1 . 1 114 114 ILE CG1 C 13 27.292 0.000 . 1 . . . . A 115 ILE CG1 . 30696 1 1482 . 1 . 1 114 114 ILE CG2 C 13 17.691 0.000 . 1 . . . . A 115 ILE CG2 . 30696 1 1483 . 1 . 1 114 114 ILE CD1 C 13 14.027 0.000 . 1 . . . . A 115 ILE CD1 . 30696 1 1484 . 1 . 1 114 114 ILE N N 15 116.221 0.000 . 1 . . . . A 115 ILE N . 30696 1 1485 . 1 . 1 115 115 ARG H H 1 7.843 0.000 . 1 . . . . A 116 ARG H . 30696 1 1486 . 1 . 1 115 115 ARG HA H 1 4.344 0.000 . 1 . . . . A 116 ARG HA . 30696 1 1487 . 1 . 1 115 115 ARG HB2 H 1 1.875 0.000 . 2 . . . . A 116 ARG HB2 . 30696 1 1488 . 1 . 1 115 115 ARG HB3 H 1 1.944 0.000 . 2 . . . . A 116 ARG HB3 . 30696 1 1489 . 1 . 1 115 115 ARG HG2 H 1 1.689 0.000 . 2 . . . . A 116 ARG HG2 . 30696 1 1490 . 1 . 1 115 115 ARG HG3 H 1 1.750 0.000 . 2 . . . . A 116 ARG HG3 . 30696 1 1491 . 1 . 1 115 115 ARG HD2 H 1 3.221 0.000 . 2 . . . . A 116 ARG HD2 . 30696 1 1492 . 1 . 1 115 115 ARG HD3 H 1 3.221 0.000 . 2 . . . . A 116 ARG HD3 . 30696 1 1493 . 1 . 1 115 115 ARG HE H 1 7.341 0.000 . 1 . . . . A 116 ARG HE . 30696 1 1494 . 1 . 1 115 115 ARG C C 13 175.985 0.000 . 1 . . . . A 116 ARG C . 30696 1 1495 . 1 . 1 115 115 ARG CA C 13 56.641 0.000 . 1 . . . . A 116 ARG CA . 30696 1 1496 . 1 . 1 115 115 ARG CB C 13 30.824 0.000 . 1 . . . . A 116 ARG CB . 30696 1 1497 . 1 . 1 115 115 ARG CG C 13 27.239 0.000 . 1 . . . . A 116 ARG CG . 30696 1 1498 . 1 . 1 115 115 ARG CD C 13 43.422 0.000 . 1 . . . . A 116 ARG CD . 30696 1 1499 . 1 . 1 115 115 ARG N N 15 122.181 0.000 . 1 . . . . A 116 ARG N . 30696 1 1500 . 1 . 1 115 115 ARG NE N 15 85.007 0.000 . 1 . . . . A 116 ARG NE . 30696 1 1501 . 1 . 1 116 116 GLY H H 1 7.787 0.000 . 1 . . . . A 117 GLY H . 30696 1 1502 . 1 . 1 116 116 GLY HA2 H 1 3.777 0.000 . 2 . . . . A 117 GLY HA2 . 30696 1 1503 . 1 . 1 116 116 GLY HA3 H 1 3.777 0.000 . 2 . . . . A 117 GLY HA3 . 30696 1 1504 . 1 . 1 116 116 GLY C C 13 178.941 0.000 . 1 . . . . A 117 GLY C . 30696 1 1505 . 1 . 1 116 116 GLY CA C 13 46.173 0.000 . 1 . . . . A 117 GLY CA . 30696 1 1506 . 1 . 1 116 116 GLY N N 15 114.926 0.000 . 1 . . . . A 117 GLY N . 30696 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30696 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 13C/15N-edited [1H,1H] NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #Format xeasy3D #INAME 1 H #INAME 2 h #INAME 3 C #SPECTRUM C13NOESY HC H C 1 4.202 4.021 57.222 3 U -2.494e+04 0.00e+00 - 0 2477 2587 2187 0 4 4.202 8.751 57.222 3 U -3.332e+03 0.00e+00 - 0 2477 59 2187 0 5 4.202 1.642 57.222 3 U -2.338e+03 0.00e+00 - 0 2477 2682 2187 0 7 4.021 4.201 63.099 3 U -2.756e+04 0.00e+00 - 0 2587 2477 2186 0 9 4.202 0.721 57.119 3 U -1.103e+03 0.00e+00 - 0 2477 1764 2187 0 10 4.202 0.821 57.222 3 U -1.498e+03 0.00e+00 - 0 2477 1794 2187 0 11 4.021 0.832 63.099 3 U -2.008e+03 0.00e+00 - 0 2587 1794 2186 0 12 4.021 1.636 63.099 3 U -3.180e+03 0.00e+00 - 0 2587 2682 2186 0 13 4.021 1.864 63.099 3 U -1.396e+03 0.00e+00 - 0 2587 2548 2186 0 14 4.021 8.751 63.099 3 U -2.786e+03 0.00e+00 - 0 2587 59 2186 0 16 4.407 0.829 60.207 3 U -7.719e+03 0.00e+00 - 0 0 0 0 0 17 4.407 1.986 60.207 3 U -4.748e+03 0.00e+00 - 0 2442 2557 578 0 18 4.407 8.448 60.207 3 U -1.003e+04 0.00e+00 - 0 0 0 0 0 19 5.332 0.824 54.829 3 U -4.611e+03 0.00e+00 - 0 0 0 0 0 20 5.328 1.166 54.767 3 U -2.772e+03 0.00e+00 - 0 0 0 0 0 21 5.329 1.376 54.748 3 U -2.109e+03 0.00e+00 - 0 0 0 0 0 22 5.328 1.495 54.748 3 U -3.153e+03 0.00e+00 - 0 0 0 0 0 23 5.333 2.112 54.867 3 U -2.331e+03 0.00e+00 - 0 0 0 0 0 24 5.334 1.973 54.854 3 U -4.793e+03 0.00e+00 - 0 0 0 0 0 25 5.334 1.847 54.867 3 U -3.361e+03 0.00e+00 - 0 2519 2606 473 0 26 5.335 8.665 54.852 3 U -1.967e+03 0.00e+00 - 0 0 0 0 0 27 5.328 9.138 54.767 3 U -6.117e+03 0.00e+00 - 0 2478 71 497 0 28 5.336 9.032 54.873 3 U -9.515e+03 0.00e+00 - 0 2519 53 473 0 29 1.696 0.715 43.447 3 U 2.761e+03 0.00e+00 - 0 2665 1764 1767 0 30 1.696 0.825 43.447 3 U 6.123e+03 0.00e+00 - 0 0 0 0 0 33 1.696 4.687 43.447 3 U 3.245e+03 0.00e+00 - 0 0 0 0 0 34 1.696 9.067 43.447 3 U 1.750e+03 0.00e+00 - 0 0 0 0 0 35 1.635 1.628 26.862 3 U 7.914e+04 0.00e+00 - 0 2682 2682 1768 0 36 1.635 4.685 26.862 3 U 4.520e+03 0.00e+00 - 0 2682 2455 1768 0 37 1.640 8.745 26.862 3 U 1.103e+03 0.00e+00 - 0 2682 59 1768 0 39 1.216 0.718 43.447 3 U 3.287e+03 0.00e+00 - 0 2614 1764 1767 0 40 1.216 0.824 43.447 3 U 5.895e+03 0.00e+00 - 0 2614 1794 1767 0 43 1.216 4.688 43.447 3 U 3.446e+03 0.00e+00 - 0 2614 2455 1767 0 44 1.216 9.069 43.447 3 U 2.236e+03 0.00e+00 - 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0 0 0 0 0 1809 1.148 0.121 26.482 3 U 2.799e+03 0.00e+00 - 0 2924 1826 1762 0 1810 1.145 0.641 26.517 3 U 7.869e+03 0.00e+00 - 0 2924 1828 1762 0 1811 1.144 1.429 26.482 3 U 2.408e+03 0.00e+00 - 0 2924 2597 1762 0 1812 0.121 0.644 22.406 3 U 1.228e+04 0.00e+00 - 0 1826 1828 1827 0 1813 0.121 0.891 22.406 3 U 4.814e+03 0.00e+00 - 0 0 0 0 0 1814 0.121 0.811 22.406 3 U 4.193e+03 0.00e+00 - 0 0 0 0 0 1815 0.121 1.126 22.406 3 U 1.256e+04 0.00e+00 - 0 0 0 0 0 1816 0.121 1.431 22.406 3 U 2.224e+03 0.00e+00 - 0 1826 2597 1827 0 1817 0.121 1.586 22.406 3 U 2.049e+03 0.00e+00 - 0 1826 2923 1827 0 1818 0.121 1.205 22.406 3 U 9.285e+03 0.00e+00 - 0 1826 2929 1827 0 1819 0.120 3.805 22.406 3 U 8.558e+03 0.00e+00 - 0 0 0 0 0 1820 0.121 4.070 22.406 3 U 1.446e+03 0.00e+00 - 0 0 0 0 0 1821 0.123 6.435 22.406 3 U 1.635e+03 0.00e+00 - 0 1826 265 1827 0 1822 0.123 6.308 22.406 3 U 1.526e+03 0.00e+00 - 0 1826 2989 1827 0 1823 0.120 6.965 22.406 3 U 2.083e+03 0.00e+00 - 0 1826 3006 1827 0 1824 0.120 7.326 22.406 3 U 5.808e+03 0.00e+00 - 0 1826 3004 1827 0 1825 0.641 0.121 26.507 3 U 1.085e+04 0.00e+00 - 0 1828 1826 1829 0 1826 0.642 1.142 26.486 3 U 9.927e+03 0.00e+00 - 0 1828 2924 1829 0 1827 0.641 1.429 26.486 3 U 7.622e+03 0.00e+00 - 0 1828 2597 1829 0 1828 0.640 1.588 26.520 3 U 3.222e+03 0.00e+00 - 0 1828 2923 1829 0 1829 0.644 1.692 26.486 3 U 1.629e+03 0.00e+00 - 0 1828 2580 1829 0 1830 0.641 3.499 26.486 3 U 2.093e+03 0.00e+00 - 0 0 0 0 0 1831 0.641 3.800 26.486 3 U 3.400e+03 0.00e+00 - 0 0 0 0 0 1832 0.641 6.445 26.486 3 U 1.413e+03 0.00e+00 - 0 1828 265 1829 0 1833 3.766 0.832 58.186 3 U -3.129e+03 0.00e+00 - 0 2536 1835 441 0 1834 3.760 0.905 58.035 3 U -3.970e+03 0.00e+00 - 0 2536 2088 441 0 1835 3.773 1.432 58.076 3 U -2.649e+03 0.00e+00 - 0 2536 2597 441 0 1836 3.762 1.530 58.180 3 U -2.740e+03 0.00e+00 - 0 0 0 0 0 1837 3.767 1.903 58.138 3 U -1.613e+03 0.00e+00 - 0 2536 2661 441 0 1838 3.767 4.075 58.193 3 U -2.905e+03 0.00e+00 - 0 2536 1845 441 0 1839 1.500 0.823 41.845 3 U 2.947e+03 0.00e+00 - 0 2613 1835 954 0 1840 1.501 0.905 41.893 3 U 2.564e+03 0.00e+00 - 0 0 0 0 0 1841 1.503 1.897 41.893 3 U 7.020e+03 0.00e+00 - 0 2613 2661 954 0 1842 1.503 3.778 41.893 3 U 1.641e+03 0.00e+00 - 0 0 0 0 0 1843 1.504 7.782 41.893 3 U 2.686e+03 0.00e+00 - 0 2613 31 954 0 1844 1.897 7.784 41.893 3 U 2.574e+03 0.00e+00 - 0 2661 31 954 0 1845 1.897 0.828 41.893 3 U 3.535e+03 0.00e+00 - 0 2661 1835 954 0 1846 1.898 0.911 41.893 3 U 2.428e+03 0.00e+00 - 0 2661 2088 954 0 1847 1.897 1.512 41.893 3 U 9.189e+03 0.00e+00 - 0 0 0 0 0 1848 1.901 4.208 41.893 3 U 1.942e+03 0.00e+00 - 0 2661 2904 954 0 1849 1.892 3.773 41.824 3 U 2.142e+03 0.00e+00 - 0 2661 2536 954 0 1850 1.896 8.139 41.955 3 U 1.652e+03 0.00e+00 - 0 2661 249 954 0 1852 1.550 1.902 27.320 3 U 4.342e+03 0.00e+00 - 0 2926 2661 2925 0 1853 1.547 3.769 27.375 3 U 1.951e+03 0.00e+00 - 0 0 0 0 0 1854 1.552 7.797 27.375 3 U 1.022e+03 0.00e+00 - 0 2926 31 2925 0 1855 0.827 1.535 25.888 3 U 9.237e+03 0.00e+00 - 0 0 0 0 0 1856 0.826 1.438 25.888 3 U 6.757e+03 0.00e+00 - 0 0 0 0 0 1857 0.830 1.904 25.818 3 U 7.330e+03 0.00e+00 - 0 1835 2661 1836 0 1858 0.830 4.653 25.888 3 U 6.755e+03 0.00e+00 - 0 4711 2510 4712 0 1860 0.909 1.533 25.648 3 U 1.369e+04 0.00e+00 - 0 0 0 0 0 1861 0.908 1.433 25.634 3 U 1.005e+04 0.00e+00 - 0 2088 2597 2089 0 1862 0.911 1.897 25.568 3 U 5.209e+03 0.00e+00 - 0 2088 2661 2089 0 1863 0.908 3.773 25.648 3 U 7.588e+03 0.00e+00 - 0 2088 2536 2089 0 1864 0.910 4.654 25.648 3 U 6.540e+03 0.00e+00 - 0 0 0 0 0 1865 4.344 0.993 57.826 3 U -2.836e+03 0.00e+00 - 0 4728 1824 4732 0 1866 4.339 2.639 57.826 3 U -7.356e+03 0.00e+00 - 0 2506 2579 681 0 1867 4.342 3.111 57.826 3 U -1.386e+03 0.00e+00 - 0 2506 2931 681 0 1868 4.341 8.138 57.826 3 U -3.129e+03 0.00e+00 - 0 2506 249 681 0 1869 4.346 7.668 57.826 3 U -2.558e+03 0.00e+00 - 0 0 0 0 0 1870 2.638 0.916 40.857 3 U 2.006e+03 0.00e+00 - 0 0 0 0 0 1872 2.636 4.349 41.029 3 U 8.012e+03 0.00e+00 - 0 0 0 0 0 1873 2.636 7.661 41.029 3 U 6.595e+03 0.00e+00 - 0 0 0 0 0 1874 2.636 8.135 41.029 3 U 8.378e+03 0.00e+00 - 0 2579 249 1280 0 1875 4.048 1.125 65.690 3 U -9.601e+03 0.00e+00 - 0 0 0 0 0 1876 4.049 1.620 65.690 3 U -2.635e+03 0.00e+00 - 0 2505 2938 719 0 1877 4.046 1.902 65.690 3 U -3.380e+03 0.00e+00 - 0 0 0 0 0 1878 4.049 2.276 65.647 3 U -6.708e+03 0.00e+00 - 0 2505 2573 719 0 1879 4.049 7.662 65.690 3 U -3.895e+03 0.00e+00 - 0 2505 287 719 0 1880 2.274 1.124 31.492 3 U 1.742e+04 0.00e+00 - 0 0 0 0 0 1883 2.273 4.048 31.557 3 U 8.216e+03 0.00e+00 - 0 2573 2505 1295 0 1884 2.274 7.664 31.557 3 U 6.473e+03 0.00e+00 - 0 2573 287 1295 0 1885 1.107 0.118 20.695 3 U 9.166e+03 0.00e+00 - 0 1788 1826 1787 0 1886 1.108 2.278 20.695 3 U 1.522e+04 0.00e+00 - 0 1788 2573 1787 0 1887 1.108 2.639 20.695 3 U 3.967e+03 0.00e+00 - 0 0 0 0 0 1888 1.106 4.052 20.695 3 U 8.077e+03 0.00e+00 - 0 1788 2505 1787 0 1889 1.107 3.804 20.695 3 U 1.128e+04 0.00e+00 - 0 1788 2507 1787 0 1890 1.107 6.306 20.695 3 U 3.705e+03 0.00e+00 - 0 1788 2989 1787 0 1891 1.108 7.312 20.695 3 U 2.712e+03 0.00e+00 - 0 0 0 0 0 1892 1.108 7.667 20.695 3 U 1.175e+04 0.00e+00 - 0 1788 287 1787 0 1893 1.108 7.879 20.695 3 U 7.395e+03 0.00e+00 - 0 1788 259 1787 0 1894 1.140 0.120 22.458 3 U 4.117e+03 0.00e+00 - 0 1792 1826 1791 0 1895 1.137 2.273 22.490 3 U 1.914e+04 0.00e+00 - 0 1792 2573 1791 0 1896 1.137 2.642 22.490 3 U 7.226e+03 0.00e+00 - 0 1792 2579 1791 0 1897 1.140 2.810 22.490 3 U 3.230e+03 0.00e+00 - 0 1792 2640 1791 0 1898 1.138 3.802 22.490 3 U 5.002e+03 0.00e+00 - 0 1792 2507 1791 0 1899 1.138 4.048 22.490 3 U 1.614e+04 0.00e+00 - 0 1792 2505 1791 0 1901 1.139 7.878 22.490 3 U 4.058e+03 0.00e+00 - 0 1792 259 1791 0 1902 1.138 7.663 22.490 3 U 8.100e+03 0.00e+00 - 0 1792 287 1791 0 1903 1.137 7.311 22.490 3 U 1.814e+03 0.00e+00 - 0 0 0 0 0 1904 3.994 0.814 65.876 3 U -2.304e+03 0.00e+00 - 0 2453 1806 690 0 1905 3.997 0.733 65.829 3 U -1.700e+03 0.00e+00 - 0 0 0 0 0 1906 3.993 1.211 65.847 3 U -6.695e+03 0.00e+00 - 0 2453 2929 690 0 1907 3.992 4.501 65.865 3 U -1.600e+03 0.00e+00 - 0 2453 2940 690 0 1908 3.887 1.217 67.595 3 U -6.387e+03 0.00e+00 - 0 0 0 0 0 1909 3.898 0.816 67.610 3 U -2.801e+03 0.00e+00 - 0 0 0 0 0 1910 3.898 0.729 67.595 3 U -2.801e+03 0.00e+00 - 0 0 0 0 0 1911 3.893 1.891 67.595 3 U -2.087e+03 0.00e+00 - 0 2927 2891 1284 0 1912 1.207 2.340 23.945 3 U 2.532e+03 0.00e+00 - 0 2929 2885 2928 0 1913 1.208 0.122 23.945 3 U 9.185e+03 0.00e+00 - 0 2929 1826 2928 0 1914 1.208 3.897 23.945 3 U 1.017e+04 0.00e+00 - 0 2929 2927 2928 0 1915 1.208 3.996 23.945 3 U 9.475e+03 0.00e+00 - 0 0 0 0 0 1916 1.207 4.070 23.945 3 U 8.503e+03 0.00e+00 - 0 2929 1845 2928 0 1917 1.207 3.795 23.945 3 U 3.855e+03 0.00e+00 - 0 0 0 0 0 1918 1.208 7.883 23.945 3 U 6.319e+03 0.00e+00 - 0 2929 259 2928 0 1919 1.210 7.323 23.945 3 U 2.592e+03 0.00e+00 - 0 0 0 0 0 1920 1.208 8.169 23.945 3 U 1.560e+03 0.00e+00 - 0 2929 785 2928 0 1921 1.208 8.304 23.945 3 U 1.062e+03 0.00e+00 - 0 2929 931 2928 0 1922 4.128 0.539 65.018 3 U -1.012e+03 0.00e+00 - 0 2492 1805 933 0 1923 4.123 0.717 64.975 3 U -2.587e+03 0.00e+00 - 0 2492 1747 933 0 1924 4.124 0.817 65.007 3 U -2.868e+03 0.00e+00 - 0 0 0 0 0 1925 4.123 0.990 64.975 3 U -9.449e+02 0.00e+00 - 0 4767 1824 4769 0 1926 4.125 2.011 65.047 3 U -2.055e+03 0.00e+00 - 0 2492 2556 933 0 1927 4.125 2.746 64.975 3 U -2.711e+03 0.00e+00 - 0 2492 2930 933 0 1928 4.123 8.304 65.065 3 U -1.819e+03 0.00e+00 - 0 2492 931 933 0 1929 2.737 0.831 27.025 3 U 1.359e+03 0.00e+00 - 0 0 0 0 0 1930 2.747 0.994 26.960 3 U 1.859e+03 0.00e+00 - 0 4774 1824 4766 0 1932 2.742 2.520 26.986 3 U 1.182e+03 0.00e+00 - 0 2930 2058 1321 0 1933 2.742 3.107 26.960 3 U 8.397e+03 0.00e+00 - 0 2930 2931 1321 0 1934 2.742 4.126 26.960 3 U 1.980e+03 0.00e+00 - 0 2930 2492 1321 0 1935 2.738 8.311 26.960 3 U 2.121e+03 0.00e+00 - 0 2930 931 1321 0 1936 3.964 1.477 59.803 3 U -5.694e+03 0.00e+00 - 0 2503 2574 1545 0 1937 3.960 1.624 59.763 3 U -2.955e+03 0.00e+00 - 0 0 0 0 0 1938 3.965 1.896 59.680 3 U -6.905e+03 0.00e+00 - 0 0 0 0 0 1939 3.965 8.210 59.763 3 U -2.945e+03 0.00e+00 - 0 2503 1541 1545 0 1940 1.873 1.438 32.335 3 U 3.519e+03 0.00e+00 - 0 2565 2936 1547 0 1941 1.875 3.964 32.335 3 U 4.355e+03 0.00e+00 - 0 2565 2503 1547 0 1942 1.874 7.613 32.335 3 U 1.434e+03 0.00e+00 - 0 0 0 0 0 1943 1.874 8.217 32.335 3 U 3.437e+03 0.00e+00 - 0 2565 1541 1547 0 1944 1.926 1.436 32.335 3 U 2.975e+03 0.00e+00 - 0 2932 2936 1547 0 1945 1.922 3.964 32.335 3 U 3.884e+03 0.00e+00 - 0 2932 2503 1547 0 1946 1.923 4.044 32.335 3 U 2.299e+03 0.00e+00 - 0 2932 2505 1547 0 1947 1.922 7.625 32.335 3 U 1.214e+03 0.00e+00 - 0 0 0 0 0 1948 1.919 8.218 32.335 3 U 3.055e+03 0.00e+00 - 0 2932 1541 1547 0 1949 1.433 1.632 26.102 3 U 3.231e+04 0.00e+00 - 0 0 0 0 0 1950 1.431 1.867 26.102 3 U 4.566e+03 0.00e+00 - 0 2936 2565 2933 0 1951 1.434 1.924 26.102 3 U 3.253e+03 0.00e+00 - 0 2936 2932 2933 0 1952 1.434 2.946 26.102 3 U 4.336e+03 0.00e+00 - 0 2936 2939 2933 0 1953 1.433 3.965 26.102 3 U 3.751e+03 0.00e+00 - 0 2936 2503 2933 0 1954 1.434 8.227 26.168 3 U 1.602e+03 0.00e+00 - 0 2936 1541 2933 0 1955 1.644 1.434 26.102 3 U 1.789e+04 0.00e+00 - 0 2937 2936 2933 0 1956 1.641 1.872 26.102 3 U 4.269e+03 0.00e+00 - 0 2937 2565 2933 0 1957 1.643 1.925 26.102 3 U 2.592e+03 0.00e+00 - 0 2937 2932 2933 0 1958 1.645 2.943 26.102 3 U 3.920e+03 0.00e+00 - 0 2937 2939 2933 0 1959 1.645 3.967 26.102 3 U 2.346e+03 0.00e+00 - 0 2937 2503 2933 0 1960 1.640 8.217 26.102 3 U 1.914e+03 0.00e+00 - 0 2937 1541 2933 0 1961 1.612 2.941 29.334 3 U 9.729e+03 0.00e+00 - 0 2938 2939 2934 0 1962 1.617 3.963 29.304 3 U 2.647e+03 0.00e+00 - 0 2938 2503 2934 0 1963 2.945 1.435 42.069 3 U 9.797e+03 0.00e+00 - 0 2939 2936 2935 0 1964 3.919 1.249 67.388 3 U -9.248e+03 0.00e+00 - 0 2537 2942 686 0 1965 3.923 2.892 67.388 3 U -3.889e+03 0.00e+00 - 0 2537 2578 686 0 1966 3.922 7.609 67.333 3 U -2.931e+03 0.00e+00 - 0 0 0 0 0 1967 4.483 4.489 68.275 3 U -4.946e+03 0.00e+00 - 0 2940 2940 2123 0 1968 1.260 2.917 21.723 3 U 5.834e+03 0.00e+00 - 0 0 0 0 0 1969 1.259 3.212 21.723 3 U 7.807e+03 0.00e+00 - 0 2942 2649 2941 0 1970 1.259 3.923 21.723 3 U 1.694e+04 0.00e+00 - 0 2942 2537 2941 0 1971 1.259 4.491 21.723 3 U 1.405e+04 0.00e+00 - 0 2942 2940 2941 0 1972 1.260 2.035 21.723 3 U 5.610e+03 0.00e+00 - 0 2942 2961 2941 0 1973 1.262 7.616 21.723 3 U 4.340e+03 0.00e+00 - 0 2942 255 2941 0 1974 1.258 7.742 21.723 3 U 2.804e+03 0.00e+00 - 0 0 0 0 0 1975 3.592 0.539 66.229 3 U -5.602e+03 0.00e+00 - 0 2504 1805 500 0 1976 3.593 0.813 66.236 3 U -9.494e+03 0.00e+00 - 0 2504 1806 500 0 1977 3.594 2.022 66.258 3 U -4.576e+03 0.00e+00 - 0 0 0 0 0 1978 3.593 2.209 66.229 3 U -3.285e+03 0.00e+00 - 0 2504 2575 500 0 1979 3.596 2.719 66.229 3 U -1.736e+03 0.00e+00 - 0 2504 2945 500 0 1980 3.594 2.597 66.280 3 U -1.124e+03 0.00e+00 - 0 2504 2944 500 0 1981 3.594 7.743 66.258 3 U -3.355e+03 0.00e+00 - 0 0 0 0 0 1982 3.595 7.937 66.258 3 U -1.973e+03 0.00e+00 - 0 2504 776 500 0 1983 3.589 8.156 66.258 3 U -1.440e+03 0.00e+00 - 0 2504 99 500 0 1984 2.006 0.541 31.316 3 U 5.987e+03 0.00e+00 - 0 2556 1805 1204 0 1985 2.010 0.816 31.316 3 U 8.295e+03 0.00e+00 - 0 2556 1806 1204 0 1986 2.009 3.588 31.316 3 U 2.362e+03 0.00e+00 - 0 2556 2504 1204 0 1987 2.010 7.752 31.316 3 U 4.708e+03 0.00e+00 - 0 2556 95 1204 0 1988 2.006 8.152 31.280 3 U 3.483e+03 0.00e+00 - 0 2556 99 1204 0 1989 0.538 0.814 21.252 3 U 2.425e+04 0.00e+00 - 0 1805 1806 1807 0 1990 0.538 2.013 21.226 3 U 1.299e+04 0.00e+00 - 0 0 0 0 0 1991 0.540 3.021 21.226 3 U 1.916e+03 0.00e+00 - 0 4814 2563 4820 0 1992 0.538 3.179 21.198 3 U 1.168e+03 0.00e+00 - 0 4814 2881 4820 0 1993 0.538 3.593 21.226 3 U 7.556e+03 0.00e+00 - 0 1805 2504 1807 0 1994 0.537 3.923 21.241 3 U 2.276e+03 0.00e+00 - 0 0 0 0 0 1995 0.539 4.123 21.226 3 U 2.366e+03 0.00e+00 - 0 1805 2492 1807 0 1996 0.538 4.288 21.226 3 U 1.492e+03 0.00e+00 - 0 0 0 0 0 1997 0.540 6.963 21.226 3 U 3.163e+03 0.00e+00 - 0 0 0 0 0 1998 0.539 7.130 21.226 3 U 4.651e+03 0.00e+00 - 0 0 0 0 0 1999 0.538 7.225 21.226 3 U 3.202e+03 0.00e+00 - 0 0 0 0 0 2000 0.539 7.747 21.226 3 U 2.597e+03 0.00e+00 - 0 0 0 0 0 2001 0.536 8.157 21.226 3 U 3.536e+03 0.00e+00 - 0 1805 99 1807 0 2002 0.815 0.540 24.056 3 U 2.269e+04 0.00e+00 - 0 1806 1805 1808 0 2003 0.815 3.593 24.056 3 U 1.225e+04 0.00e+00 - 0 1806 2504 1808 0 2004 0.818 6.979 24.134 3 U 3.906e+03 0.00e+00 - 0 4816 3011 4824 0 2005 0.814 7.131 24.056 3 U 6.065e+03 0.00e+00 - 0 0 0 0 0 2006 0.811 7.217 24.056 3 U 3.796e+03 0.00e+00 - 0 0 0 0 0 2007 0.814 7.749 24.056 3 U 1.117e+04 0.00e+00 - 0 1806 95 1808 0 2008 3.911 0.896 55.083 3 U -5.267e+03 0.00e+00 - 0 0 0 0 0 2009 3.915 1.486 55.126 3 U -1.499e+04 0.00e+00 - 0 2538 2574 504 0 2010 3.909 2.016 55.126 3 U -1.758e+03 0.00e+00 - 0 0 0 0 0 2011 3.921 7.690 55.126 3 U -2.465e+03 0.00e+00 - 0 2538 2130 504 0 2012 3.917 8.155 55.090 3 U -4.516e+03 0.00e+00 - 0 2538 99 504 0 2013 1.485 0.910 17.979 3 U 1.402e+04 0.00e+00 - 0 4832 1857 4831 0 2014 1.485 0.550 17.979 3 U 2.056e+03 0.00e+00 - 0 2574 1805 1206 0 2015 1.486 3.927 17.979 3 U 3.378e+04 0.00e+00 - 0 2574 2538 1206 0 2016 1.487 2.904 17.968 3 U 2.687e+03 0.00e+00 - 0 2574 2578 1206 0 2017 1.485 3.018 17.979 3 U 2.106e+03 0.00e+00 - 0 4832 2563 4831 0 2018 1.483 3.200 17.979 3 U 2.498e+03 0.00e+00 - 0 4832 2881 4831 0 2019 1.487 7.713 17.979 3 U 1.207e+04 0.00e+00 - 0 2574 2130 1206 0 2020 1.486 8.155 17.979 3 U 2.500e+04 0.00e+00 - 0 2574 99 1206 0 2021 2.897 3.923 38.532 3 U 4.081e+03 0.00e+00 - 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0 0 0 0 0 3389 2.636 1.961 41.029 3 U 1.307e+03 0.00e+00 - 0 2579 2916 1280 0 3390 2.276 2.639 31.488 3 U 1.271e+03 0.00e+00 - 0 2573 2579 1295 0 3391 2.274 7.883 31.557 3 U 8.313e+02 0.00e+00 - 0 2573 259 1295 0 3392 1.108 2.809 20.695 3 U 1.380e+03 0.00e+00 - 0 0 0 0 0 3393 1.208 0.730 23.945 3 U 1.021e+04 0.00e+00 - 0 0 0 0 0 3394 1.208 0.813 23.945 3 U 9.738e+03 0.00e+00 - 0 0 0 0 0 3395 1.208 0.639 23.945 3 U 2.689e+03 0.00e+00 - 0 2929 1828 2928 0 3396 1.208 0.882 23.945 3 U 4.842e+03 0.00e+00 - 0 2929 1823 2928 0 3397 1.212 3.511 23.944 3 U 1.023e+03 0.00e+00 - 0 2929 2474 2928 0 3398 4.126 8.153 64.973 3 U -7.192e+02 0.00e+00 - 0 2492 99 933 0 3399 4.126 8.216 64.973 3 U -5.945e+02 0.00e+00 - 0 2492 1541 933 0 3400 2.741 0.905 26.960 3 U 7.366e+02 0.00e+00 - 0 0 0 0 0 3401 2.738 1.960 26.874 3 U 9.746e+02 0.00e+00 - 0 0 0 0 0 3402 3.113 0.815 26.928 3 U 1.235e+03 0.00e+00 - 0 0 0 0 0 3403 3.109 0.994 26.928 3 U 1.946e+03 0.00e+00 - 0 4773 1824 4766 0 3404 3.102 0.913 26.962 3 U 9.574e+02 0.00e+00 - 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0 4832 1824 4831 0 3437 1.486 7.935 17.979 3 U 2.377e+03 0.00e+00 - 0 2574 776 1206 0 3438 4.566 2.918 54.862 3 U -2.697e+03 0.00e+00 - 0 2475 2578 733 0 3439 2.205 0.933 33.454 3 U 1.153e+03 0.00e+00 - 0 2575 2950 1319 0 3440 2.209 2.592 33.280 3 U 2.218e+03 0.00e+00 - 0 2575 2944 1319 0 3441 2.205 3.916 33.454 3 U 7.060e+02 0.00e+00 - 0 0 0 0 0 3442 2.593 0.786 31.947 3 U 7.060e+02 0.00e+00 - 0 0 0 0 0 3443 2.597 0.953 31.918 3 U 6.840e+02 0.00e+00 - 0 2944 2950 2943 0 3444 2.713 1.257 31.947 3 U 1.305e+03 0.00e+00 - 0 2945 2942 2943 0 3445 2.036 0.814 17.073 3 U 1.558e+04 0.00e+00 - 0 0 0 0 0 3446 2.036 0.743 17.073 3 U 1.488e+04 0.00e+00 - 0 2961 1853 2962 0 3447 2.036 1.263 17.073 3 U 1.355e+04 0.00e+00 - 0 2961 2942 2962 0 3448 2.036 2.590 17.073 3 U 9.024e+03 0.00e+00 - 0 2961 2944 2962 0 3449 2.036 2.719 17.073 3 U 7.608e+03 0.00e+00 - 0 2961 2945 2962 0 3450 2.041 7.125 17.054 3 U 4.897e+03 0.00e+00 - 0 4868 3009 4867 0 3451 2.040 6.976 17.051 3 U 4.885e+03 0.00e+00 - 0 4868 3011 4867 0 3452 1.572 0.948 27.292 3 U 5.046e+03 0.00e+00 - 0 2952 2950 2947 0 3453 1.568 7.835 27.351 3 U 1.183e+03 0.00e+00 - 0 2952 2169 2947 0 3454 0.948 1.327 17.691 3 U 9.005e+03 0.00e+00 - 0 2950 2951 2946 0 3455 0.946 1.290 17.691 3 U 5.553e+03 0.00e+00 - 0 2950 2951 2946 0 3456 0.948 2.194 17.691 3 U 3.501e+03 0.00e+00 - 0 2950 2575 2946 0 3457 0.948 3.912 17.691 3 U 2.165e+03 0.00e+00 - 0 2950 2538 2946 0 3458 0.948 4.347 17.691 3 U 3.133e+03 0.00e+00 - 0 0 0 0 0 3459 0.947 6.969 17.619 3 U 2.853e+03 0.00e+00 - 0 4885 3011 4883 0 3460 0.947 7.136 17.673 3 U 2.216e+03 0.00e+00 - 0 4885 3009 4883 0 3461 0.943 7.223 17.730 3 U 2.649e+03 0.00e+00 - 0 4885 3007 4883 0 3462 0.948 7.935 17.691 3 U 1.924e+03 0.00e+00 - 0 2950 776 2946 0 3463 0.875 0.548 14.027 3 U 1.029e+04 0.00e+00 - 0 2949 1805 2948 0 3464 0.880 2.406 14.029 3 U 2.749e+03 0.00e+00 - 0 4887 2884 4884 0 3465 0.880 6.931 14.029 3 U 2.377e+03 0.00e+00 - 0 4887 3011 4884 0 3466 0.870 7.138 14.029 3 U 2.536e+03 0.00e+00 - 0 4887 3009 4884 0 3467 0.872 7.232 14.019 3 U 3.649e+03 0.00e+00 - 0 4887 3007 4884 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 11.3678 ppm . . . 4.6831 . . 30696 1 2 . . H 1 H . aliased 11.3678 ppm . . . 4.6831 . . 30696 1 3 . . N 15 N . aliased 34.9986 ppm . . . 119.5037 . . 30696 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30696 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 13C/15N-edited [1H,1H] NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #Format xeasy3D #INAME 1 H #INAME 2 h #INAME 3 N #SPECTRUM N15NOESY HN H N 1 8.752 0.716 122.211 3 U 7.403e+02 0.00e+00 - 0 59 1764 60 0 2 8.752 0.822 122.211 3 U 1.043e+03 0.00e+00 - 0 0 0 0 0 3 8.752 1.211 122.211 3 U 8.360e+02 0.00e+00 - 0 59 2614 60 0 4 8.752 1.632 122.211 3 U 1.978e+03 0.00e+00 - 0 59 2682 60 0 5 8.752 1.699 122.211 3 U 1.206e+03 0.00e+00 - 0 59 2665 60 0 6 8.752 4.014 122.211 3 U 1.926e+03 0.00e+00 - 0 59 2587 60 0 7 8.752 4.198 122.211 3 U 2.294e+03 0.00e+00 - 0 59 2477 60 0 8 9.072 0.713 120.143 3 U 4.716e+03 0.00e+00 - 0 155 1764 156 0 9 9.072 0.822 120.143 3 U 1.428e+04 0.00e+00 - 0 0 0 0 0 10 9.072 1.211 120.143 3 U 4.997e+03 0.00e+00 - 0 155 2614 156 0 11 9.075 1.357 120.157 3 U 8.939e+02 0.00e+00 - 0 0 0 0 0 12 9.072 1.691 120.143 3 U 3.641e+03 0.00e+00 - 0 155 2665 156 0 13 9.063 1.826 120.177 3 U 1.817e+03 0.00e+00 - 0 159 2650 160 0 14 9.068 1.979 120.159 3 U 5.893e+03 0.00e+00 - 0 0 0 0 0 15 9.066 2.096 120.184 3 U 7.736e+02 0.00e+00 - 0 159 2688 160 0 16 9.072 3.702 120.154 3 U 7.200e+02 0.00e+00 - 0 155 2460 156 0 17 9.072 4.267 120.143 3 U 1.901e+03 0.00e+00 - 0 155 2520 156 0 18 9.072 4.406 120.143 3 U 4.285e+03 0.00e+00 - 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0 287 931 288 0 1399 7.881 8.301 115.968 3 U 3.937e+03 0.00e+00 - 0 259 931 260 0 1400 7.881 7.658 115.968 3 U 3.734e+03 0.00e+00 - 0 259 287 260 0 1402 8.306 7.877 120.558 3 U 3.662e+03 0.00e+00 - 0 931 259 932 0 1404 7.616 8.220 115.908 3 U 3.832e+03 0.00e+00 - 0 255 1541 256 0 1405 7.751 8.153 122.000 3 U 4.548e+03 0.00e+00 - 0 95 99 96 0 1406 8.155 7.727 121.376 3 U 8.790e+03 0.00e+00 - 0 0 0 0 0 1408 7.714 7.933 114.139 3 U 7.814e+03 0.00e+00 - 0 2130 776 2131 0 1409 7.714 8.153 114.139 3 U 5.295e+03 0.00e+00 - 0 2130 99 2131 0 1410 7.936 7.652 118.929 3 U 1.075e+04 0.00e+00 - 0 776 2161 777 0 1411 7.653 7.842 116.221 3 U 8.595e+03 0.00e+00 - 0 2161 2169 2162 0 1412 7.653 7.931 116.221 3 U 9.696e+03 0.00e+00 - 0 2161 776 2162 0 1413 7.983 7.518 131.742 3 U 5.556e+02 0.00e+00 - 0 3 375 4 0 1414 9.143 8.891 122.649 3 U 1.220e+03 0.00e+00 - 0 0 0 0 0 1415 8.896 1.832 123.720 3 U 3.652e+03 0.00e+00 - 0 27 2650 28 0 1416 8.896 9.141 123.720 3 U 1.152e+03 0.00e+00 - 0 27 71 28 0 1417 9.053 1.580 120.186 3 U 1.616e+03 0.00e+00 - 0 159 2605 160 0 1418 9.052 9.385 120.212 3 U 7.010e+02 0.00e+00 - 0 159 201 160 0 1419 9.052 9.472 120.212 3 U 5.707e+02 0.00e+00 - 0 159 9 160 0 1420 9.388 4.655 118.786 3 U 8.947e+03 0.00e+00 - 0 0 0 0 0 1422 9.136 1.758 126.830 3 U 3.007e+03 0.00e+00 - 0 13 2547 14 0 1423 6.842 0.745 116.520 3 U 1.681e+03 0.00e+00 - 0 257 1694 258 0 1424 6.842 3.761 116.520 3 U 5.190e+02 0.00e+00 - 0 257 2445 258 0 1425 7.782 6.838 107.711 3 U 1.041e+03 0.00e+00 - 0 389 257 390 0 1426 8.581 2.939 121.383 3 U 6.501e+02 0.00e+00 - 0 115 2652 116 0 1427 8.353 1.518 115.870 3 U 1.499e+03 0.00e+00 - 0 269 2740 270 0 1428 7.766 4.099 117.962 3 U 1.313e+03 0.00e+00 - 0 217 2486 218 0 1429 8.307 2.266 121.251 3 U 3.942e+03 0.00e+00 - 0 1525 2761 1526 0 1432 8.889 0.815 126.451 3 U 3.448e+03 0.00e+00 - 0 15 1746 16 0 1433 8.889 3.705 126.451 3 U 7.109e+02 0.00e+00 - 0 15 2777 16 0 1434 6.918 3.431 112.162 3 U 8.090e+02 0.00e+00 - 0 1520 2794 1521 0 1435 7.578 0.869 117.346 3 U 9.641e+02 0.00e+00 - 0 235 1796 236 0 1436 7.578 0.802 117.296 3 U 6.905e+02 0.00e+00 - 0 0 0 0 0 1438 9.817 4.514 118.376 3 U 4.040e+03 0.00e+00 - 0 207 2594 208 0 1439 9.817 4.762 118.376 3 U 1.597e+03 0.00e+00 - 0 0 0 0 0 1440 7.799 1.590 115.674 3 U 1.062e+03 0.00e+00 - 0 277 2803 278 0 1444 8.491 6.892 119.383 3 U 5.142e+03 0.00e+00 - 0 177 229 178 0 1445 8.586 8.048 118.494 3 U 6.062e+02 0.00e+00 - 0 0 0 0 0 1446 7.620 4.334 116.788 3 U 2.656e+03 0.00e+00 - 0 273 2529 274 0 1447 8.144 1.604 121.207 3 U 2.089e+04 0.00e+00 - 0 0 0 0 0 1449 7.992 2.696 119.551 3 U 5.233e+03 0.00e+00 - 0 161 2648 162 0 1450 7.992 4.380 119.551 3 U 5.506e+02 0.00e+00 - 0 161 2845 162 0 1451 8.056 2.638 121.659 3 U 2.490e+03 0.00e+00 - 0 85 2844 86 0 1452 8.439 7.250 122.891 3 U 2.501e+03 0.00e+00 - 0 61 373 62 0 1453 7.368 8.054 115.794 3 U 1.176e+03 0.00e+00 - 0 267 187 268 0 1454 8.698 1.912 118.437 3 U 8.708e+02 0.00e+00 - 0 219 2873 220 0 1455 8.698 2.021 118.384 3 U 3.730e+03 0.00e+00 - 0 219 2868 220 0 1456 7.544 1.536 114.147 3 U 1.056e+03 0.00e+00 - 0 301 2583 302 0 1458 7.920 8.683 117.855 3 U 6.562e+02 0.00e+00 - 0 243 63 244 0 1459 8.966 7.948 114.980 3 U 5.186e+02 0.00e+00 - 0 293 401 294 0 1460 7.841 7.029 125.562 3 U 7.161e+02 0.00e+00 - 0 0 0 0 0 1461 7.846 8.424 125.513 3 U 7.401e+02 0.00e+00 - 0 19 109 20 0 1462 7.947 0.824 121.353 3 U 1.550e+03 0.00e+00 - 0 0 0 0 0 1463 8.136 6.431 116.898 3 U 7.830e+02 0.00e+00 - 0 249 265 250 0 1464 8.302 3.786 120.460 3 U 9.409e+02 0.00e+00 - 0 931 2536 932 0 1465 8.303 3.894 120.521 3 U 1.070e+03 0.00e+00 - 0 931 2927 932 0 1466 8.216 0.989 119.463 3 U 1.009e+03 0.00e+00 - 0 4779 1824 4780 0 1467 8.225 3.972 119.426 3 U 4.654e+03 0.00e+00 - 0 0 0 0 0 1468 8.148 0.885 121.277 3 U 2.573e+03 0.00e+00 - 0 0 0 0 0 1469 7.789 1.559 114.926 3 U 6.505e+02 0.00e+00 - 0 2177 2952 2178 0 1470 7.791 1.686 114.963 3 U 1.177e+03 0.00e+00 - 0 2177 2959 2178 0 1471 7.790 1.743 114.926 3 U 9.884e+02 0.00e+00 - 0 2177 2958 2178 0 1472 7.934 2.961 120.548 3 U 3.163e+03 0.00e+00 - 0 143 2652 144 0 1473 8.543 4.026 118.782 3 U 1.740e+03 0.00e+00 - 0 193 2522 194 0 1474 7.846 1.733 119.776 3 U 1.798e+03 0.00e+00 - 0 171 2749 172 0 1475 8.051 0.820 117.133 3 U 9.009e+02 0.00e+00 - 0 237 2748 238 0 1476 7.997 0.876 109.761 3 U 1.063e+03 0.00e+00 - 0 379 1701 380 0 1477 8.227 2.269 117.815 3 U 1.364e+03 0.00e+00 - 0 223 2761 224 0 1478 9.109 0.902 122.676 3 U 2.724e+03 0.00e+00 - 0 0 0 0 0 1479 8.886 0.561 118.786 3 U 2.880e+03 0.00e+00 - 0 195 1708 196 0 1480 8.066 0.564 121.317 3 U 6.691e+02 0.00e+00 - 0 403 1708 404 0 1481 8.066 3.926 121.317 3 U 1.595e+03 0.00e+00 - 0 403 2527 404 0 1482 8.066 4.409 121.317 3 U 2.141e+03 0.00e+00 - 0 0 0 0 0 1483 8.066 4.547 121.317 3 U 3.035e+03 0.00e+00 - 0 403 2467 404 0 1484 8.318 6.399 122.485 3 U 7.616e+02 0.00e+00 - 0 93 2991 94 0 1485 7.432 0.739 83.918 3 U -6.028e+02 0.00e+00 - 0 3037 1694 3038 0 1486 7.432 0.961 83.962 3 U -6.836e+02 0.00e+00 - 0 3037 1692 3038 0 1487 7.432 1.511 83.918 3 U -9.782e+02 0.00e+00 - 0 3037 2827 3038 0 1488 7.432 1.778 83.918 3 U -8.694e+02 0.00e+00 - 0 0 0 0 0 1489 7.429 1.939 83.928 3 U -1.179e+03 0.00e+00 - 0 3037 2552 3038 0 1490 7.432 3.268 83.918 3 U -3.746e+03 0.00e+00 - 0 3037 2825 3038 0 1491 8.231 0.729 119.470 3 U 6.059e+02 0.00e+00 - 0 169 1694 170 0 1492 8.467 4.046 109.175 3 U 4.044e+03 0.00e+00 - 0 2153 2841 2154 0 1493 8.289 4.043 108.804 3 U 1.542e+04 0.00e+00 - 0 0 0 0 0 1494 8.228 0.899 119.084 3 U 8.211e+02 0.00e+00 - 0 191 1781 192 0 1495 7.992 0.747 119.551 3 U 5.389e+02 0.00e+00 - 0 161 1868 162 0 1496 7.990 1.528 119.551 3 U 7.028e+02 0.00e+00 - 0 161 2850 162 0 1497 7.991 8.229 119.551 3 U 9.218e+03 0.00e+00 - 0 161 191 162 0 1498 7.878 7.638 119.628 3 U 2.724e+03 0.00e+00 - 0 1076 167 1077 0 1499 7.152 1.453 84.670 3 U -6.086e+02 0.00e+00 - 0 3039 2975 3040 0 1500 7.152 1.711 84.670 3 U -5.200e+02 0.00e+00 - 0 3039 2976 3040 0 1501 7.152 3.174 84.670 3 U -1.212e+03 0.00e+00 - 0 0 0 0 0 1502 8.439 7.299 122.891 3 U 1.941e+03 0.00e+00 - 0 0 0 0 0 1503 7.252 0.725 110.315 3 U 5.523e+02 0.00e+00 - 0 0 0 0 0 1504 7.246 1.243 110.268 3 U 5.013e+02 0.00e+00 - 0 373 2942 374 0 1505 7.252 3.145 110.315 3 U 1.622e+03 0.00e+00 - 0 373 2855 374 0 1506 7.023 0.540 109.697 3 U 5.492e+02 0.00e+00 - 0 4393 1805 4388 0 1507 6.779 0.849 109.753 3 U 9.717e+02 0.00e+00 - 0 4395 2949 4388 0 1508 6.784 0.724 109.767 3 U 6.380e+02 0.00e+00 - 0 3031 1853 3030 0 1509 6.784 0.538 109.767 3 U 6.877e+02 0.00e+00 - 0 4395 1805 4388 0 1510 6.779 2.130 109.753 3 U 1.264e+03 0.00e+00 - 0 3031 2866 3030 0 1511 8.169 1.292 121.944 3 U 1.493e+03 0.00e+00 - 0 785 2596 786 0 1512 8.362 1.063 121.924 3 U 7.078e+02 0.00e+00 - 0 407 1784 408 0 1513 9.036 0.696 121.387 3 U 8.992e+02 0.00e+00 - 0 0 0 0 0 1514 7.678 1.984 112.413 3 U 5.254e+02 0.00e+00 - 0 0 0 0 0 1515 6.832 0.822 112.416 3 U 1.231e+03 0.00e+00 - 0 4566 1835 4572 0 1516 6.832 0.908 112.416 3 U 7.096e+02 0.00e+00 - 0 4566 2088 4572 0 1517 6.830 1.518 112.416 3 U 8.985e+02 0.00e+00 - 0 0 0 0 0 1518 6.830 1.598 112.416 3 U 5.434e+02 0.00e+00 - 0 4566 2938 4572 0 1519 6.831 1.908 112.407 3 U 1.238e+03 0.00e+00 - 0 4566 2661 4572 0 1520 6.831 2.636 112.407 3 U 1.271e+03 0.00e+00 - 0 4566 2579 4572 0 1521 6.831 2.735 112.407 3 U 1.341e+03 0.00e+00 - 0 0 0 0 0 1522 6.831 2.934 112.407 3 U 1.774e+03 0.00e+00 - 0 3028 2659 3027 0 1523 6.832 4.205 112.474 3 U 8.860e+02 0.00e+00 - 0 4566 2904 4572 0 1524 6.832 4.341 112.396 3 U 1.731e+03 0.00e+00 - 0 4566 2506 4572 0 1525 6.832 4.657 112.396 3 U 5.625e+02 0.00e+00 - 0 3028 2510 3027 0 1526 6.832 7.670 112.396 3 U 1.471e+04 0.00e+00 - 0 3028 3026 3027 0 1527 7.841 1.503 125.562 3 U 6.586e+02 0.00e+00 - 0 0 0 0 0 1528 7.879 0.733 116.033 3 U 5.494e+02 0.00e+00 - 0 259 1831 260 0 1529 7.879 0.903 116.047 3 U 5.216e+02 0.00e+00 - 0 259 2088 260 0 1530 8.220 1.643 119.486 3 U 2.893e+03 0.00e+00 - 0 0 0 0 0 1531 8.224 4.052 119.486 3 U 1.850e+03 0.00e+00 - 0 1541 2505 1542 0 1532 7.616 0.810 115.908 3 U 1.037e+03 0.00e+00 - 0 255 1806 256 0 1533 7.616 0.748 115.908 3 U 8.792e+02 0.00e+00 - 0 255 1853 256 0 1534 7.937 7.715 118.929 3 U 6.067e+03 0.00e+00 - 0 776 2130 777 0 1535 7.651 4.560 116.235 3 U 7.858e+02 0.00e+00 - 0 2161 2475 2162 0 1536 7.843 1.945 122.181 3 U 4.879e+03 0.00e+00 - 0 2169 2576 2170 0 1537 7.843 3.912 122.181 3 U 7.197e+02 0.00e+00 - 0 2169 2538 2170 0 1538 7.843 7.652 122.181 3 U 1.070e+04 0.00e+00 - 0 2169 2161 2170 0 1539 7.341 1.681 85.007 3 U -6.925e+02 0.00e+00 - 0 3035 2959 3036 0 1540 7.341 1.748 85.007 3 U -8.650e+02 0.00e+00 - 0 3035 2958 3036 0 1541 7.338 1.858 84.937 3 U -4.840e+02 0.00e+00 - 0 3035 2955 3036 0 1542 7.341 3.221 85.007 3 U -2.722e+03 0.00e+00 - 0 3035 2960 3036 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . . 11.3678 ppm . . . 4.6831 . . 30696 2 2 . . H 1 H . aliased 11.3678 ppm . . . 4.6831 . . 30696 2 3 . . C 13 C-aliphatic . aliased 48.2814 ppm . . . 71.6486 . . 30696 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30696 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 13C/15N-edited [1H,1H] NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #Format xeasy3D #INAME 1 H #INAME 2 h #INAME 3 C #SPECTRUM C13NOESY HC H C 1 7.172 7.263 130.252 3 U 1.977e+04 0.00e+00 - 0 2998 2995 2997 0 2 7.170 7.371 130.128 3 U 3.329e+03 0.00e+00 - 0 2998 3000 2997 0 3 7.173 0.524 130.244 3 U 1.766e+03 0.00e+00 - 0 2998 1706 2997 0 4 7.172 1.648 130.187 3 U 9.148e+02 0.00e+00 - 0 2998 2566 2997 0 5 7.170 1.729 130.244 3 U 1.020e+03 0.00e+00 - 0 2998 2689 2997 0 6 7.168 3.632 130.171 3 U 8.250e+02 0.00e+00 - 0 2998 2490 2997 0 7 7.169 3.821 130.111 3 U 8.317e+02 0.00e+00 - 0 2998 2546 2997 0 8 7.171 4.043 130.244 3 U 9.787e+02 0.00e+00 - 0 0 0 0 0 9 7.268 2.662 132.746 3 U 3.359e+03 0.00e+00 - 0 2995 2631 2996 0 10 7.269 2.828 132.746 3 U 4.503e+03 0.00e+00 - 0 2995 2637 2996 0 11 7.267 4.597 132.746 3 U 2.024e+03 0.00e+00 - 0 2995 2480 2996 0 12 7.271 4.930 132.746 3 U 1.323e+03 0.00e+00 - 0 2995 2458 2996 0 13 7.268 9.480 132.746 3 U 3.397e+03 0.00e+00 - 0 2995 9 2996 0 14 7.382 4.047 129.572 3 U 1.004e+03 0.00e+00 - 0 0 0 0 0 15 6.403 6.889 117.297 3 U 9.165e+03 0.00e+00 - 0 2991 2969 2992 0 16 6.400 7.313 117.297 3 U 1.445e+03 0.00e+00 - 0 2991 3001 2992 0 17 6.401 4.203 117.297 3 U 2.650e+03 0.00e+00 - 0 2991 2491 2992 0 18 6.405 2.803 117.297 3 U 1.186e+03 0.00e+00 - 0 0 0 0 0 19 6.889 6.404 133.315 3 U 8.399e+03 0.00e+00 - 0 2969 2991 2970 0 20 6.888 2.529 133.315 3 U 3.802e+03 0.00e+00 - 0 2969 2853 2970 0 21 6.890 2.883 133.315 3 U 3.745e+03 0.00e+00 - 0 2969 2852 2970 0 22 6.889 4.034 133.315 3 U 2.654e+03 0.00e+00 - 0 2969 2496 2970 0 23 6.889 4.358 133.315 3 U 1.654e+03 0.00e+00 - 0 2969 2471 2970 0 26 6.961 7.127 129.539 3 U 4.880e+03 0.00e+00 - 0 0 0 0 0 27 6.960 7.215 129.465 3 U 1.039e+03 0.00e+00 - 0 3011 3007 3012 0 29 7.126 6.962 130.882 3 U 5.158e+03 0.00e+00 - 0 0 0 0 0 30 7.130 4.285 130.882 3 U 1.090e+03 0.00e+00 - 0 3009 2499 3010 0 33 7.127 2.032 130.882 3 U 1.877e+03 0.00e+00 - 0 0 0 0 0 34 7.127 0.540 130.882 3 U 2.546e+03 0.00e+00 - 0 0 0 0 0 35 7.128 0.723 130.882 3 U 2.711e+03 0.00e+00 - 0 0 0 0 0 36 7.126 0.816 130.882 3 U 3.569e+03 0.00e+00 - 0 4454 1806 4462 0 37 7.226 3.183 130.834 3 U 1.301e+03 0.00e+00 - 0 3007 2881 3008 0 38 7.224 3.019 130.834 3 U 1.497e+03 0.00e+00 - 0 3007 2563 3008 0 39 7.225 4.285 130.834 3 U 2.454e+03 0.00e+00 - 0 3007 2499 3008 0 40 7.224 4.207 130.834 3 U 1.313e+03 0.00e+00 - 0 3007 2498 3008 0 41 7.224 0.543 130.834 3 U 2.239e+03 0.00e+00 - 0 4453 1805 4461 0 42 7.224 0.723 130.834 3 U 2.938e+03 0.00e+00 - 0 0 0 0 0 43 7.225 0.821 130.834 3 U 2.937e+03 0.00e+00 - 0 0 0 0 0 44 7.225 2.030 130.834 3 U 1.577e+03 0.00e+00 - 0 0 0 0 0 45 7.223 2.129 130.834 3 U 9.842e+02 0.00e+00 - 0 3007 2582 3008 0 47 7.223 6.959 130.834 3 U 2.724e+03 0.00e+00 - 0 3007 3011 3008 0 48 7.225 8.164 130.834 3 U 1.895e+03 0.00e+00 - 0 3007 291 3008 0 49 6.674 0.657 117.667 3 U 3.473e+03 0.00e+00 - 0 2993 1816 2994 0 50 6.674 0.818 117.667 3 U 3.873e+03 0.00e+00 - 0 2993 1704 2994 0 51 6.674 0.906 117.667 3 U 2.343e+03 0.00e+00 - 0 0 0 0 0 53 6.675 1.069 117.667 3 U 5.143e+03 0.00e+00 - 0 2993 1705 2994 0 54 6.673 1.189 117.667 3 U 1.401e+03 0.00e+00 - 0 2993 2617 2994 0 55 6.675 1.286 117.667 3 U 2.480e+03 0.00e+00 - 0 2993 2788 2994 0 56 6.675 2.050 117.667 3 U 3.171e+03 0.00e+00 - 0 0 0 0 0 57 6.676 1.940 117.667 3 U 1.059e+03 0.00e+00 - 0 2993 2898 2994 0 58 6.674 2.977 117.667 3 U 7.724e+02 0.00e+00 - 0 2993 2895 2994 0 59 6.681 3.504 117.667 3 U 8.253e+02 0.00e+00 - 0 2993 2896 2994 0 60 6.675 7.023 117.667 3 U 1.742e+04 0.00e+00 - 0 2993 2967 2994 0 61 7.024 0.657 133.392 3 U 3.372e+03 0.00e+00 - 0 2967 1816 2968 0 62 7.022 0.813 133.392 3 U 2.578e+03 0.00e+00 - 0 2967 1814 2968 0 63 7.022 0.915 133.392 3 U 1.422e+03 0.00e+00 - 0 2967 2728 2968 0 64 7.023 1.063 133.392 3 U 4.077e+03 0.00e+00 - 0 0 0 0 0 65 7.025 1.459 133.392 3 U 1.025e+03 0.00e+00 - 0 2967 2581 2968 0 66 7.021 1.944 133.392 3 U 3.634e+03 0.00e+00 - 0 2967 2898 2968 0 67 7.021 2.038 133.392 3 U 1.948e+03 0.00e+00 - 0 2967 2562 2968 0 68 7.021 2.972 133.392 3 U 4.283e+03 0.00e+00 - 0 2967 2895 2968 0 69 7.023 3.518 133.392 3 U 3.924e+03 0.00e+00 - 0 2967 2896 2968 0 70 7.024 4.387 133.392 3 U 5.747e+03 0.00e+00 - 0 2967 2509 2968 0 71 7.022 8.964 133.392 3 U 1.442e+03 0.00e+00 - 0 2967 293 2968 0 72 7.023 8.428 133.392 3 U 1.457e+03 0.00e+00 - 0 2967 109 2968 0 73 7.024 6.676 133.392 3 U 1.319e+04 0.00e+00 - 0 2967 2993 2968 0 74 7.023 6.495 133.392 3 U 1.226e+03 0.00e+00 - 0 2967 3021 2968 0 75 6.963 0.124 129.171 3 U 9.947e+02 0.00e+00 - 0 3006 1826 3005 0 76 6.965 0.885 129.266 3 U 1.721e+03 0.00e+00 - 0 0 0 0 0 77 6.962 0.725 129.252 3 U 1.024e+03 0.00e+00 - 0 3006 1831 3005 0 79 6.960 2.017 129.352 3 U 1.538e+03 0.00e+00 - 0 0 0 0 0 80 6.963 7.328 129.171 3 U 5.099e+03 0.00e+00 - 0 3006 3004 3005 0 81 7.306 3.138 132.705 3 U 1.510e+03 0.00e+00 - 0 3001 2855 3002 0 82 7.309 2.822 132.736 3 U 1.741e+03 0.00e+00 - 0 3001 2854 3002 0 83 7.305 0.724 132.657 3 U 8.412e+02 0.00e+00 - 0 3001 1831 3002 0 84 7.331 6.968 131.526 3 U 3.760e+03 0.00e+00 - 0 3004 3006 3003 0 85 7.330 0.123 131.526 3 U 1.771e+03 0.00e+00 - 0 3004 1826 3003 0 86 7.333 0.723 131.526 3 U 1.664e+03 0.00e+00 - 0 3004 1831 3003 0 87 7.333 0.889 131.507 3 U 1.270e+03 0.00e+00 - 0 0 0 0 0 88 6.309 0.123 118.006 3 U 9.105e+02 0.00e+00 - 0 2989 1826 2990 0 89 6.307 1.120 118.006 3 U 1.932e+03 0.00e+00 - 0 0 0 0 0 90 6.304 0.899 118.006 3 U 1.311e+03 0.00e+00 - 0 2989 2901 2990 0 91 6.304 0.818 118.109 3 U 6.071e+02 0.00e+00 - 0 2989 2634 2990 0 92 6.303 1.969 118.006 3 U 1.106e+03 0.00e+00 - 0 0 0 0 0 93 6.305 6.489 118.006 3 U 3.739e+03 0.00e+00 - 0 2989 2987 2990 0 94 6.103 2.184 119.515 3 U 6.401e+02 0.00e+00 - 0 3017 2965 3018 0 96 6.101 3.999 119.515 3 U 7.981e+02 0.00e+00 - 0 0 0 0 0 97 6.101 8.108 119.515 3 U 7.760e+02 0.00e+00 - 0 3017 263 3018 0 98 7.149 0.465 120.272 3 U 7.190e+02 0.00e+00 - 0 3013 2722 3014 0 99 7.143 0.746 120.272 3 U 1.977e+03 0.00e+00 - 0 3013 1694 3014 0 100 7.148 2.151 120.272 3 U 9.411e+02 0.00e+00 - 0 3013 2832 3014 0 101 7.144 2.254 120.272 3 U 1.524e+03 0.00e+00 - 0 0 0 0 0 102 7.143 3.089 120.272 3 U 1.685e+03 0.00e+00 - 0 3013 2611 3014 0 103 7.144 3.380 120.272 3 U 1.715e+03 0.00e+00 - 0 3013 2656 3014 0 104 8.205 2.255 137.304 3 U 1.125e+03 0.00e+00 - 0 3059 2719 3060 0 105 6.850 1.702 120.583 3 U 1.629e+03 0.00e+00 - 0 3019 2635 3020 0 106 6.849 1.807 120.583 3 U 1.882e+03 0.00e+00 - 0 3019 2657 3020 0 107 6.850 2.692 120.583 3 U 2.164e+03 0.00e+00 - 0 3019 2834 3020 0 108 6.848 2.965 120.583 3 U 1.216e+03 0.00e+00 - 0 3019 2835 3020 0 109 6.852 3.988 120.583 3 U 1.346e+03 0.00e+00 - 0 3019 2544 3020 0 110 7.267 0.834 132.746 3 U 2.133e+03 0.00e+00 - 0 2995 1690 2996 0 111 7.266 1.751 132.746 3 U 1.288e+03 0.00e+00 - 0 0 0 0 0 112 7.268 0.507 132.746 3 U 4.233e+03 0.00e+00 - 0 2995 1706 2996 0 113 7.268 0.567 132.746 3 U 3.808e+03 0.00e+00 - 0 2995 1708 2996 0 114 7.268 5.627 132.746 3 U 7.300e+02 0.00e+00 - 0 0 0 0 0 115 7.268 8.669 132.669 3 U 7.500e+02 0.00e+00 - 0 2995 75 2996 0 116 7.268 9.055 132.746 3 U 8.647e+02 0.00e+00 - 0 2995 159 2996 0 117 7.172 2.334 130.178 3 U 1.041e+03 0.00e+00 - 0 0 0 0 0 118 7.172 2.433 130.149 3 U 6.400e+02 0.00e+00 - 0 2998 2808 2997 0 119 6.309 2.185 117.960 3 U 5.491e+02 0.00e+00 - 0 2989 2965 2990 0 120 6.492 6.303 133.059 3 U 1.063e+03 0.00e+00 - 0 2987 2989 2988 0 121 6.889 7.649 133.315 3 U 7.076e+02 0.00e+00 - 0 2969 167 2970 0 122 6.889 8.158 133.315 3 U 8.849e+02 0.00e+00 - 0 2969 1903 2970 0 123 6.403 2.527 117.297 3 U 7.054e+02 0.00e+00 - 0 2991 2853 2992 0 124 6.403 2.600 117.297 3 U 8.133e+02 0.00e+00 - 0 2991 2828 2992 0 125 6.403 2.410 117.297 3 U 5.273e+02 0.00e+00 - 0 2991 2571 2992 0 126 6.402 3.134 117.357 3 U 5.130e+02 0.00e+00 - 0 2991 2598 2992 0 127 6.965 1.553 129.205 3 U 5.522e+02 0.00e+00 - 0 0 0 0 0 128 7.298 0.126 132.748 3 U 6.177e+02 0.00e+00 - 0 3001 1826 3002 0 129 7.303 3.861 132.736 3 U 1.266e+03 0.00e+00 - 0 3001 2497 3002 0 130 7.309 8.437 132.743 3 U 7.046e+02 0.00e+00 - 0 3001 61 3002 0 131 7.332 8.313 131.526 3 U 6.040e+02 0.00e+00 - 0 3004 93 3003 0 132 7.328 1.554 131.526 3 U 5.689e+02 0.00e+00 - 0 0 0 0 0 133 7.327 2.006 131.428 3 U 7.097e+02 0.00e+00 - 0 3004 2633 3003 0 134 7.328 2.790 131.449 3 U 6.190e+02 0.00e+00 - 0 0 0 0 0 135 7.327 3.100 131.495 3 U 8.027e+02 0.00e+00 - 0 3004 2598 3003 0 136 7.224 1.569 130.785 3 U 6.104e+02 0.00e+00 - 0 0 0 0 0 137 7.128 8.171 130.882 3 U 8.408e+02 0.00e+00 - 0 3009 291 3010 0 138 7.128 3.018 130.882 3 U 5.303e+02 0.00e+00 - 0 3009 2563 3010 0 139 7.128 3.185 130.882 3 U 5.304e+02 0.00e+00 - 0 3009 2881 3010 0 140 6.676 2.440 117.667 3 U 5.784e+02 0.00e+00 - 0 2993 2668 2994 0 141 6.676 4.384 117.667 3 U 9.275e+02 0.00e+00 - 0 2993 2509 2994 0 142 6.676 5.126 117.667 3 U 7.591e+02 0.00e+00 - 0 2993 2785 2994 0 143 6.676 7.579 117.667 3 U 6.245e+02 0.00e+00 - 0 2993 235 2994 0 144 8.209 1.905 137.304 3 U 8.483e+02 0.00e+00 - 0 3059 2588 3060 0 145 7.144 4.339 120.318 3 U 8.511e+02 0.00e+00 - 0 3013 2529 3014 0 146 7.145 8.224 120.272 3 U 6.134e+02 0.00e+00 - 0 3013 3059 3014 0 147 6.304 0.653 117.941 3 U 4.114e+02 0.00e+00 - 0 2989 1828 2990 0 148 6.304 2.285 118.006 3 U 4.804e+02 0.00e+00 - 0 0 0 0 0 149 6.403 4.011 117.285 3 U 5.302e+02 0.00e+00 - 0 2991 2496 2992 0 150 6.400 4.362 117.316 3 U 5.811e+02 0.00e+00 - 0 2991 2471 2992 0 151 6.403 6.096 117.297 4 U 8.472e+02 0.00e+00 - 0 0 0 0 0 152 7.023 1.187 133.392 3 U 5.980e+02 0.00e+00 - 0 2967 2617 2968 0 153 7.021 1.286 133.499 3 U 4.984e+02 0.00e+00 - 0 2967 2788 2968 0 154 6.676 1.782 117.667 3 U 4.250e+02 0.00e+00 - 0 2993 2786 2994 0 155 6.672 3.636 117.656 3 U 4.537e+02 0.00e+00 - 0 2993 2535 2994 0 156 6.665 3.817 117.659 3 U 5.364e+02 0.00e+00 - 0 2993 2793 2994 0 157 7.265 1.421 132.789 3 U 3.999e+02 0.00e+00 - 0 2995 2615 2996 0 158 7.271 1.542 132.772 3 U 5.900e+02 0.00e+00 - 0 2995 2695 2996 0 159 7.268 3.833 132.746 3 U 4.626e+02 0.00e+00 - 0 2995 2546 2996 0 160 7.267 9.138 132.653 3 U 4.846e+02 0.00e+00 - 0 2995 71 2996 0 161 7.173 0.864 130.252 4 U 5.493e+02 0.00e+00 - 0 0 0 0 0 162 7.171 1.260 130.135 3 U 4.711e+02 0.00e+00 - 0 0 0 0 0 163 7.174 1.542 130.145 3 U 4.436e+02 0.00e+00 - 0 2998 2695 2997 0 164 7.172 2.117 130.101 3 U 4.508e+02 0.00e+00 - 0 2998 2603 2997 0 165 7.174 4.628 130.115 3 U 7.124e+02 0.00e+00 - 0 0 0 0 0 166 7.384 1.553 129.555 3 U 5.570e+02 0.00e+00 - 0 3000 2695 2999 0 167 7.383 2.331 129.552 3 U 5.971e+02 0.00e+00 - 0 0 0 0 0 168 7.304 1.117 132.634 3 U 4.842e+02 0.00e+00 - 0 3001 1788 3002 0 169 7.306 6.420 132.736 3 U 4.554e+02 0.00e+00 - 0 3001 2991 3002 0 170 7.345 1.206 131.440 3 U 6.716e+02 0.00e+00 - 0 3004 2929 3003 0 171 7.329 1.130 131.567 3 U 4.877e+02 0.00e+00 - 0 0 0 0 0 172 6.959 0.540 129.533 3 U 8.574e+02 0.00e+00 - 0 0 0 0 0 173 6.951 0.642 129.265 3 U 6.317e+02 0.00e+00 - 0 3006 1828 3005 0 174 6.958 0.816 129.524 3 U 1.037e+03 0.00e+00 - 0 4455 1806 4464 0 175 6.968 2.123 129.263 3 U 5.315e+02 0.00e+00 - 0 3006 2639 3005 0 176 6.961 3.490 129.194 3 U 6.481e+02 0.00e+00 - 0 3006 2541 3005 0 177 7.225 0.907 130.834 3 U 1.274e+03 0.00e+00 - 0 4453 2949 4461 0 178 7.220 1.308 130.864 3 U 4.696e+02 0.00e+00 - 0 4453 2951 4461 0 179 7.225 1.500 130.785 3 U 5.437e+02 0.00e+00 - 0 4453 2574 4461 0 180 7.226 2.295 130.806 3 U 4.341e+02 0.00e+00 - 0 3007 2869 3008 0 181 7.224 3.931 130.862 3 U 5.062e+02 0.00e+00 - 0 4453 2538 4461 0 182 7.123 1.325 131.009 3 U 3.833e+02 0.00e+00 - 0 4454 2951 4462 0 183 7.128 1.551 130.868 3 U 3.726e+02 0.00e+00 - 0 3009 2583 3010 0 184 7.128 2.124 130.882 3 U 6.173e+02 0.00e+00 - 0 3009 2582 3010 0 185 7.134 2.302 130.859 3 U 3.569e+02 0.00e+00 - 0 3009 2869 3010 0 186 7.123 3.940 130.884 3 U 4.323e+02 0.00e+00 - 0 4454 2538 4462 0 187 7.128 4.195 130.882 3 U 5.636e+02 0.00e+00 - 0 0 0 0 0 188 6.152 2.585 119.774 3 U 4.473e+02 0.00e+00 - 0 3015 2828 3016 0 189 6.096 2.429 119.540 3 U 4.946e+02 0.00e+00 - 0 3017 2571 3018 0 190 6.104 2.576 119.540 3 U 8.196e+02 0.00e+00 - 0 3017 2829 3018 0 191 6.096 3.074 119.540 3 U 4.209e+02 0.00e+00 - 0 3017 2554 3018 0 192 8.440 0.919 137.242 4 U 6.387e+02 0.00e+00 - 0 0 0 0 0 193 8.436 2.060 137.161 4 U 4.747e+02 0.00e+00 - 0 0 0 0 0 194 7.145 1.217 120.272 3 U 5.577e+02 0.00e+00 - 0 3013 2721 3014 0 195 7.142 1.906 120.409 3 U 4.893e+02 0.00e+00 - 0 3013 2588 3014 0 196 7.146 3.926 120.213 3 U 5.475e+02 0.00e+00 - 0 3013 2530 3014 0 197 6.851 4.854 120.613 3 U 6.007e+02 0.00e+00 - 0 3019 2833 3020 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aromatic . . 11.3678 ppm . . . 4.6831 . . 30696 3 2 . . H 1 H . aliased 11.3678 ppm . . . 4.6831 . . 30696 3 3 . . C 13 C-aromatic . aliased 48.2814 ppm . . . 119.9300 . . 30696 3 stop_ save_