data_27734 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27734 _Entry.Title ; 15N, 13C and 1H backbone resonance assignments of FKBP12 from the pathogenic fungi Mucor circinelloides ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-20 _Entry.Accession_date 2018-12-20 _Entry.Last_release_date 2018-12-20 _Entry.Original_release_date 2018-12-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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_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 Sophie Gobeil . M.C. . . 27734 2 Benjamin Bobay . G. . . 27734 3 Leonard Spicer . D. . . 27734 4 Ronald Venters . A. . . 27734 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Duke University NMR Center' . 27734 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27734 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 27734 '15N chemical shifts' 98 27734 '1H chemical shifts' 397 27734 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 . . 2019-04-17 2018-12-20 update BMRB 'update entry citation' 27734 1 . . 2019-03-08 2018-12-20 original author 'original release' 27734 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27732 'apo FKBP12 protein from Aspergillus fumigatus' 27734 BMRB 27733 'FKBP12 protein from Aspergillus fumigatus bound to FK506' 27734 BMRB 27737 'FKBP12 protein from the pathogenic fungi Mucor circinelloides bound to FK506' 27734 BMRB 27738 'Human FKBP12 protein' 27734 BMRB 27739 'Human FKBP12 protein bound to FK506' 27734 NCBI AGW24132.1 'Sequence for FKBP12' 27734 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27734 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30707421 _Citation.Full_citation . _Citation.Title ; 15N, 13C and 1H resonance assignments of FKBP12 proteins from the pathogenic fungi Mucor circinelloides and Aspergillus fumigatus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 207 _Citation.Page_last 212 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sophie Gobeil . M.C. . . 27734 1 2 Benjamin Bobay . G. . . 27734 1 3 Leonard Spicer . D. . . 27734 1 4 Ronald Venters . A. . . 27734 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Aspergillus fumigatus' 27734 1 Calcineurin 27734 1 FK506 27734 1 FKBP12 27734 1 'Mucor circinelloides' 27734 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27734 _Assembly.ID 1 _Assembly.Name FKBP12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12000 _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 FKBP12 1 $FKBP12 A . yes native no no . . . 27734 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cis-trans peptidyl-prolyl isomerases' 27734 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 27734 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGVTVERIAPGDGKNFPKKG DKVTIHYVGTLENGDKFDSS RDRGSPFQCTIGVGQVIKGW DEGVTQLSVGEKARLICTHD YAYGERGYPGLIPPKATLNF EVELIKIN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI AGW24132.1 . FKBP12 . . . . . . . . . . . . . . 27734 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cis-trans peptidyl-prolyl isomerases' 27734 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 . MET . 27734 1 2 . GLY . 27734 1 3 . VAL . 27734 1 4 . THR . 27734 1 5 . VAL . 27734 1 6 . GLU . 27734 1 7 . ARG . 27734 1 8 . ILE . 27734 1 9 . ALA . 27734 1 10 . PRO . 27734 1 11 . GLY . 27734 1 12 . ASP . 27734 1 13 . GLY . 27734 1 14 . LYS . 27734 1 15 . ASN . 27734 1 16 . PHE . 27734 1 17 . PRO . 27734 1 18 . LYS . 27734 1 19 . LYS . 27734 1 20 . GLY . 27734 1 21 . ASP . 27734 1 22 . LYS . 27734 1 23 . VAL . 27734 1 24 . THR . 27734 1 25 . ILE . 27734 1 26 . HIS . 27734 1 27 . TYR . 27734 1 28 . VAL . 27734 1 29 . GLY . 27734 1 30 . THR . 27734 1 31 . LEU . 27734 1 32 . GLU . 27734 1 33 . ASN . 27734 1 34 . GLY . 27734 1 35 . ASP . 27734 1 36 . LYS . 27734 1 37 . PHE . 27734 1 38 . ASP . 27734 1 39 . SER . 27734 1 40 . SER . 27734 1 41 . ARG . 27734 1 42 . ASP . 27734 1 43 . ARG . 27734 1 44 . GLY . 27734 1 45 . SER . 27734 1 46 . PRO . 27734 1 47 . PHE . 27734 1 48 . GLN . 27734 1 49 . CYS . 27734 1 50 . THR . 27734 1 51 . ILE . 27734 1 52 . GLY . 27734 1 53 . VAL . 27734 1 54 . GLY . 27734 1 55 . GLN . 27734 1 56 . VAL . 27734 1 57 . ILE . 27734 1 58 . LYS . 27734 1 59 . GLY . 27734 1 60 . TRP . 27734 1 61 . ASP . 27734 1 62 . GLU . 27734 1 63 . GLY . 27734 1 64 . VAL . 27734 1 65 . THR . 27734 1 66 . GLN . 27734 1 67 . LEU . 27734 1 68 . SER . 27734 1 69 . VAL . 27734 1 70 . GLY . 27734 1 71 . GLU . 27734 1 72 . LYS . 27734 1 73 . ALA . 27734 1 74 . ARG . 27734 1 75 . LEU . 27734 1 76 . ILE . 27734 1 77 . CYS . 27734 1 78 . THR . 27734 1 79 . HIS . 27734 1 80 . ASP . 27734 1 81 . TYR . 27734 1 82 . ALA . 27734 1 83 . TYR . 27734 1 84 . GLY . 27734 1 85 . GLU . 27734 1 86 . ARG . 27734 1 87 . GLY . 27734 1 88 . TYR . 27734 1 89 . PRO . 27734 1 90 . GLY . 27734 1 91 . LEU . 27734 1 92 . ILE . 27734 1 93 . PRO . 27734 1 94 . PRO . 27734 1 95 . LYS . 27734 1 96 . ALA . 27734 1 97 . THR . 27734 1 98 . LEU . 27734 1 99 . ASN . 27734 1 100 . PHE . 27734 1 101 . GLU . 27734 1 102 . VAL . 27734 1 103 . GLU . 27734 1 104 . LEU . 27734 1 105 . ILE . 27734 1 106 . LYS . 27734 1 107 . ILE . 27734 1 108 . ASN . 27734 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27734 1 . GLY 2 2 27734 1 . VAL 3 3 27734 1 . THR 4 4 27734 1 . VAL 5 5 27734 1 . GLU 6 6 27734 1 . ARG 7 7 27734 1 . ILE 8 8 27734 1 . ALA 9 9 27734 1 . PRO 10 10 27734 1 . GLY 11 11 27734 1 . ASP 12 12 27734 1 . GLY 13 13 27734 1 . LYS 14 14 27734 1 . ASN 15 15 27734 1 . PHE 16 16 27734 1 . PRO 17 17 27734 1 . LYS 18 18 27734 1 . LYS 19 19 27734 1 . GLY 20 20 27734 1 . ASP 21 21 27734 1 . LYS 22 22 27734 1 . VAL 23 23 27734 1 . THR 24 24 27734 1 . ILE 25 25 27734 1 . HIS 26 26 27734 1 . TYR 27 27 27734 1 . VAL 28 28 27734 1 . GLY 29 29 27734 1 . THR 30 30 27734 1 . LEU 31 31 27734 1 . GLU 32 32 27734 1 . ASN 33 33 27734 1 . GLY 34 34 27734 1 . ASP 35 35 27734 1 . LYS 36 36 27734 1 . PHE 37 37 27734 1 . ASP 38 38 27734 1 . SER 39 39 27734 1 . SER 40 40 27734 1 . ARG 41 41 27734 1 . ASP 42 42 27734 1 . ARG 43 43 27734 1 . GLY 44 44 27734 1 . SER 45 45 27734 1 . PRO 46 46 27734 1 . PHE 47 47 27734 1 . GLN 48 48 27734 1 . CYS 49 49 27734 1 . THR 50 50 27734 1 . ILE 51 51 27734 1 . GLY 52 52 27734 1 . VAL 53 53 27734 1 . GLY 54 54 27734 1 . GLN 55 55 27734 1 . VAL 56 56 27734 1 . ILE 57 57 27734 1 . LYS 58 58 27734 1 . GLY 59 59 27734 1 . TRP 60 60 27734 1 . ASP 61 61 27734 1 . GLU 62 62 27734 1 . GLY 63 63 27734 1 . VAL 64 64 27734 1 . THR 65 65 27734 1 . GLN 66 66 27734 1 . LEU 67 67 27734 1 . SER 68 68 27734 1 . VAL 69 69 27734 1 . GLY 70 70 27734 1 . GLU 71 71 27734 1 . LYS 72 72 27734 1 . ALA 73 73 27734 1 . ARG 74 74 27734 1 . LEU 75 75 27734 1 . ILE 76 76 27734 1 . CYS 77 77 27734 1 . THR 78 78 27734 1 . HIS 79 79 27734 1 . ASP 80 80 27734 1 . TYR 81 81 27734 1 . ALA 82 82 27734 1 . TYR 83 83 27734 1 . GLY 84 84 27734 1 . GLU 85 85 27734 1 . ARG 86 86 27734 1 . GLY 87 87 27734 1 . TYR 88 88 27734 1 . PRO 89 89 27734 1 . GLY 90 90 27734 1 . LEU 91 91 27734 1 . ILE 92 92 27734 1 . PRO 93 93 27734 1 . PRO 94 94 27734 1 . LYS 95 95 27734 1 . ALA 96 96 27734 1 . THR 97 97 27734 1 . LEU 98 98 27734 1 . ASN 99 99 27734 1 . PHE 100 100 27734 1 . GLU 101 101 27734 1 . VAL 102 102 27734 1 . GLU 103 103 27734 1 . LEU 104 104 27734 1 . ILE 105 105 27734 1 . LYS 106 106 27734 1 . ILE 107 107 27734 1 . ASN 108 108 27734 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 27734 _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 $FKBP12 . 36080 organism . 'Mucor circinelloides' 'Mucor circinelloides' . . Eukaryota Fungi Mucor circinelloides . . . . . . . . . . . . . 27734 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 27734 _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 $FKBP12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-15b . . . 27734 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27734 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 '[U-98% 13C; U-98% 15N]' . . 1 $FKBP12 . . 0.5 . . mM . . . . 27734 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27734 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27734 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27734 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 27734 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27734 1 pH 6.0 . pH 27734 1 pressure 1 . atm 27734 1 temperature 273 . K 27734 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 27734 _Software.ID 1 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 27734 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27734 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27734 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _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' . . 27734 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27734 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27734 _Software.ID 3 _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' . . 27734 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27734 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27734 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27734 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27734 4 'peak picking' 27734 4 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27734 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27734 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27734 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27734 _Software.ID 6 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27734 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27734 6 'peak picking' 27734 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27734 _Software.ID 7 _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' . . 27734 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27734 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27734 _Software.ID 8 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27734 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27734 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27734 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27734 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27734 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 27734 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27734 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27734 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27734 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27734 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27734 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27734 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27734 1 2 '2D 1H-13C HSQC' . . . 27734 1 3 '3D HNCO' . . . 27734 1 4 '3D HNCA' . . . 27734 1 5 '3D HNCACB' . . . 27734 1 6 '3D HN(CO)CA' . . . 27734 1 7 '3D HNHA' . . . 27734 1 8 '3D HN(COCA)CB' . . . 27734 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.4300 0.0000 . 1 . . . . . 1 MET HA . 27734 1 2 . 1 1 1 1 MET HB3 H 1 2.0300 0.0000 . 1 . . . . . 1 MET HB3 . 27734 1 3 . 1 1 1 1 MET HG3 H 1 2.5000 0.0000 . 1 . . . . . 1 MET HG3 . 27734 1 4 . 1 1 1 1 MET HE1 H 1 0.7800 0.0000 . 1 . . . . . 1 MET HE1 . 27734 1 5 . 1 1 1 1 MET HE2 H 1 0.7800 0.0000 . 1 . . . . . 1 MET HE1 . 27734 1 6 . 1 1 1 1 MET HE3 H 1 0.7800 0.0000 . 1 . . . . . 1 MET HE1 . 27734 1 7 . 1 1 1 1 MET C C 13 175.8600 0.0000 . 1 . . . . . 1 MET C . 27734 1 8 . 1 1 1 1 MET CA C 13 55.1800 0.0000 . 1 . . . . . 1 MET CA . 27734 1 9 . 1 1 1 1 MET CB C 13 32.9800 0.0000 . 1 . . . . . 1 MET CB . 27734 1 10 . 1 1 1 1 MET CG C 13 31.6900 0.0000 . 1 . . . . . 1 MET CG . 27734 1 11 . 1 1 1 1 MET CE C 13 18.6800 0.0000 . 1 . . . . . 1 MET CE . 27734 1 12 . 1 1 2 2 GLY H H 1 8.0300 0.0000 . 1 . . . . . 2 GLY H . 27734 1 13 . 1 1 2 2 GLY HA2 H 1 3.3900 0.0000 . 1 . . . . . 2 GLY HA2 . 27734 1 14 . 1 1 2 2 GLY HA3 H 1 3.0900 0.0000 . 1 . . . . . 2 GLY HA3 . 27734 1 15 . 1 1 2 2 GLY C C 13 172.7600 0.0000 . 1 . . . . . 2 GLY C . 27734 1 16 . 1 1 2 2 GLY CA C 13 45.5500 0.0000 . 1 . . . . . 2 GLY CA . 27734 1 17 . 1 1 2 2 GLY N N 15 111.8300 0.0000 . 1 . . . . . 2 GLY N . 27734 1 18 . 1 1 3 3 VAL H H 1 7.4900 0.0000 . 1 . . . . . 3 VAL H . 27734 1 19 . 1 1 3 3 VAL HA H 1 5.0900 0.0000 . 1 . . . . . 3 VAL HA . 27734 1 20 . 1 1 3 3 VAL HB H 1 1.9200 0.0000 . 1 . . . . . 3 VAL HB . 27734 1 21 . 1 1 3 3 VAL HG11 H 1 0.8800 0.0000 . 1 . . . . . 3 VAL HG11 . 27734 1 22 . 1 1 3 3 VAL HG12 H 1 0.8800 0.0000 . 1 . . . . . 3 VAL HG11 . 27734 1 23 . 1 1 3 3 VAL HG13 H 1 0.8800 0.0000 . 1 . . . . . 3 VAL HG11 . 27734 1 24 . 1 1 3 3 VAL HG21 H 1 0.9000 0.0000 . 1 . . . . . 3 VAL HG21 . 27734 1 25 . 1 1 3 3 VAL HG22 H 1 0.9000 0.0000 . 1 . . . . . 3 VAL HG21 . 27734 1 26 . 1 1 3 3 VAL HG23 H 1 0.9000 0.0000 . 1 . . . . . 3 VAL HG21 . 27734 1 27 . 1 1 3 3 VAL C C 13 174.1800 0.0000 . 1 . . . . . 3 VAL C . 27734 1 28 . 1 1 3 3 VAL CA C 13 59.4800 0.0000 . 1 . . . . . 3 VAL CA . 27734 1 29 . 1 1 3 3 VAL CB C 13 34.6000 0.0000 . 1 . . . . . 3 VAL CB . 27734 1 30 . 1 1 3 3 VAL CG1 C 13 18.7900 0.0000 . 1 . . . . . 3 VAL CG1 . 27734 1 31 . 1 1 3 3 VAL CG2 C 13 22.4700 0.0000 . 1 . . . . . 3 VAL CG2 . 27734 1 32 . 1 1 3 3 VAL N N 15 117.8000 0.0000 . 1 . . . . . 3 VAL N . 27734 1 33 . 1 1 4 4 THR H H 1 8.5400 0.0000 . 1 . . . . . 4 THR H . 27734 1 34 . 1 1 4 4 THR HA H 1 4.4940 0.0000 . 1 . . . . . 4 THR HA . 27734 1 35 . 1 1 4 4 THR HB H 1 4.0680 0.0000 . 1 . . . . . 4 THR HB . 27734 1 36 . 1 1 4 4 THR C C 13 172.8160 0.0000 . 1 . . . . . 4 THR C . 27734 1 37 . 1 1 4 4 THR CA C 13 61.7000 0.0000 . 1 . . . . . 4 THR CA . 27734 1 38 . 1 1 4 4 THR CB C 13 70.8090 0.0000 . 1 . . . . . 4 THR CB . 27734 1 39 . 1 1 4 4 THR N N 15 124.5000 0.0000 . 1 . . . . . 4 THR N . 27734 1 40 . 1 1 5 5 VAL H H 1 8.8290 0.0000 . 1 . . . . . 5 VAL H . 27734 1 41 . 1 1 5 5 VAL HA H 1 4.7680 0.0000 . 1 . . . . . 5 VAL HA . 27734 1 42 . 1 1 5 5 VAL HB H 1 2.0040 0.0000 . 1 . . . . . 5 VAL HB . 27734 1 43 . 1 1 5 5 VAL HG11 H 1 0.6500 0.0000 . 1 . . . . . 5 VAL HG11 . 27734 1 44 . 1 1 5 5 VAL HG12 H 1 0.6500 0.0000 . 1 . . . . . 5 VAL HG11 . 27734 1 45 . 1 1 5 5 VAL HG13 H 1 0.6500 0.0000 . 1 . . . . . 5 VAL HG11 . 27734 1 46 . 1 1 5 5 VAL HG21 H 1 0.8000 0.0000 . 1 . . . . . 5 VAL HG21 . 27734 1 47 . 1 1 5 5 VAL HG22 H 1 0.8000 0.0000 . 1 . . . . . 5 VAL HG21 . 27734 1 48 . 1 1 5 5 VAL HG23 H 1 0.8000 0.0000 . 1 . . . . . 5 VAL HG21 . 27734 1 49 . 1 1 5 5 VAL C C 13 175.8170 0.0000 . 1 . . . . . 5 VAL C . 27734 1 50 . 1 1 5 5 VAL CA C 13 61.4010 0.0000 . 1 . . . . . 5 VAL CA . 27734 1 51 . 1 1 5 5 VAL CB C 13 32.9630 0.0000 . 1 . . . . . 5 VAL CB . 27734 1 52 . 1 1 5 5 VAL CG1 C 13 21.0900 0.0000 . 1 . . . . . 5 VAL CG1 . 27734 1 53 . 1 1 5 5 VAL CG2 C 13 20.5900 0.0000 . 1 . . . . . 5 VAL CG2 . 27734 1 54 . 1 1 5 5 VAL N N 15 126.7590 0.0000 . 1 . . . . . 5 VAL N . 27734 1 55 . 1 1 6 6 GLU H H 1 9.5310 0.0000 . 1 . . . . . 6 GLU H . 27734 1 56 . 1 1 6 6 GLU HA H 1 4.7200 0.0000 . 1 . . . . . 6 GLU HA . 27734 1 57 . 1 1 6 6 GLU HB2 H 1 2.0200 0.0000 . 1 . . . . . 6 GLU HB2 . 27734 1 58 . 1 1 6 6 GLU HG3 H 1 2.1300 0.0000 . 1 . . . . . 6 GLU HG3 . 27734 1 59 . 1 1 6 6 GLU C C 13 175.4660 0.0000 . 1 . . . . . 6 GLU C . 27734 1 60 . 1 1 6 6 GLU CA C 13 54.4000 0.0000 . 1 . . . . . 6 GLU CA . 27734 1 61 . 1 1 6 6 GLU CB C 13 31.2810 0.0000 . 1 . . . . . 6 GLU CB . 27734 1 62 . 1 1 6 6 GLU CG C 13 35.9900 0.0000 . 1 . . . . . 6 GLU CG . 27734 1 63 . 1 1 6 6 GLU N N 15 129.1590 0.0000 . 1 . . . . . 6 GLU N . 27734 1 64 . 1 1 7 7 ARG H H 1 8.9080 0.0000 . 1 . . . . . 7 ARG H . 27734 1 65 . 1 1 7 7 ARG HA H 1 4.1820 0.0000 . 1 . . . . . 7 ARG HA . 27734 1 66 . 1 1 7 7 ARG HB3 H 1 2.0500 0.0000 . 1 . . . . . 7 ARG HB3 . 27734 1 67 . 1 1 7 7 ARG C C 13 176.6850 0.0000 . 1 . . . . . 7 ARG C . 27734 1 68 . 1 1 7 7 ARG CA C 13 57.1280 0.0000 . 1 . . . . . 7 ARG CA . 27734 1 69 . 1 1 7 7 ARG CB C 13 29.0310 0.0000 . 1 . . . . . 7 ARG CB . 27734 1 70 . 1 1 7 7 ARG N N 15 125.7830 0.0000 . 1 . . . . . 7 ARG N . 27734 1 71 . 1 1 8 8 ILE H H 1 8.4910 0.0000 . 1 . . . . . 8 ILE H . 27734 1 72 . 1 1 8 8 ILE HA H 1 4.1980 0.0000 . 1 . . . . . 8 ILE HA . 27734 1 73 . 1 1 8 8 ILE HB H 1 1.5100 0.0000 . 1 . . . . . 8 ILE HB . 27734 1 74 . 1 1 8 8 ILE HG13 H 1 0.9100 0.0000 . 1 . . . . . 8 ILE HG13 . 27734 1 75 . 1 1 8 8 ILE HG21 H 1 0.9100 0.0000 . 1 . . . . . 8 ILE HG21 . 27734 1 76 . 1 1 8 8 ILE HG22 H 1 0.9100 0.0000 . 1 . . . . . 8 ILE HG21 . 27734 1 77 . 1 1 8 8 ILE HG23 H 1 0.9100 0.0000 . 1 . . . . . 8 ILE HG21 . 27734 1 78 . 1 1 8 8 ILE C C 13 175.1840 0.0000 . 1 . . . . . 8 ILE C . 27734 1 79 . 1 1 8 8 ILE CA C 13 63.3920 0.0000 . 1 . . . . . 8 ILE CA . 27734 1 80 . 1 1 8 8 ILE CB C 13 39.5740 0.0000 . 1 . . . . . 8 ILE CB . 27734 1 81 . 1 1 8 8 ILE CG1 C 13 32.5600 0.0000 . 1 . . . . . 8 ILE CG1 . 27734 1 82 . 1 1 8 8 ILE CG2 C 13 16.8140 0.0000 . 1 . . . . . 8 ILE CG2 . 27734 1 83 . 1 1 8 8 ILE N N 15 124.4460 0.0000 . 1 . . . . . 8 ILE N . 27734 1 84 . 1 1 9 9 ALA H H 1 8.6370 0.0000 . 1 . . . . . 9 ALA H . 27734 1 85 . 1 1 9 9 ALA HA H 1 5.0100 0.0000 . 1 . . . . . 9 ALA HA . 27734 1 86 . 1 1 9 9 ALA HB1 H 1 1.4900 0.0000 . 1 . . . . . 9 ALA HB1 . 27734 1 87 . 1 1 9 9 ALA HB2 H 1 1.4900 0.0000 . 1 . . . . . 9 ALA HB1 . 27734 1 88 . 1 1 9 9 ALA HB3 H 1 1.4900 0.0000 . 1 . . . . . 9 ALA HB1 . 27734 1 89 . 1 1 9 9 ALA C C 13 174.8200 0.0000 . 1 . . . . . 9 ALA C . 27734 1 90 . 1 1 9 9 ALA CA C 13 49.8380 0.0000 . 1 . . . . . 9 ALA CA . 27734 1 91 . 1 1 9 9 ALA CB C 13 20.9880 0.0000 . 1 . . . . . 9 ALA CB . 27734 1 92 . 1 1 9 9 ALA N N 15 123.3390 0.0000 . 1 . . . . . 9 ALA N . 27734 1 93 . 1 1 10 10 PRO HA H 1 4.4530 0.0000 . 1 . . . . . 10 PRO HA . 27734 1 94 . 1 1 10 10 PRO HB2 H 1 2.2800 0.0000 . 1 . . . . . 10 PRO HB2 . 27734 1 95 . 1 1 10 10 PRO HB3 H 1 2.1300 0.0000 . 1 . . . . . 10 PRO HB3 . 27734 1 96 . 1 1 10 10 PRO HG3 H 1 2.0900 0.0000 . 1 . . . . . 10 PRO HG3 . 27734 1 97 . 1 1 10 10 PRO C C 13 178.0020 0.0000 . 1 . . . . . 10 PRO C . 27734 1 98 . 1 1 10 10 PRO CA C 13 63.6310 0.0000 . 1 . . . . . 10 PRO CA . 27734 1 99 . 1 1 10 10 PRO CB C 13 32.9680 0.0000 . 1 . . . . . 10 PRO CB . 27734 1 100 . 1 1 10 10 PRO CG C 13 27.3150 0.0000 . 1 . . . . . 10 PRO CG . 27734 1 101 . 1 1 11 11 GLY H H 1 8.3380 0.0000 . 1 . . . . . 11 GLY H . 27734 1 102 . 1 1 11 11 GLY HA2 H 1 4.2300 0.0000 . 1 . . . . . 11 GLY HA2 . 27734 1 103 . 1 1 11 11 GLY HA3 H 1 3.4800 0.0000 . 1 . . . . . 11 GLY HA3 . 27734 1 104 . 1 1 11 11 GLY C C 13 174.4910 0.0000 . 1 . . . . . 11 GLY C . 27734 1 105 . 1 1 11 11 GLY CA C 13 44.0950 0.0000 . 1 . . . . . 11 GLY CA . 27734 1 106 . 1 1 11 11 GLY N N 15 108.6640 0.0000 . 1 . . . . . 11 GLY N . 27734 1 107 . 1 1 12 12 ASP H H 1 8.2620 0.0000 . 1 . . . . . 12 ASP H . 27734 1 108 . 1 1 12 12 ASP HA H 1 4.2900 0.0000 . 1 . . . . . 12 ASP HA . 27734 1 109 . 1 1 12 12 ASP HB2 H 1 3.0100 0.0000 . 1 . . . . . 12 ASP HB2 . 27734 1 110 . 1 1 12 12 ASP HB3 H 1 2.6800 0.0000 . 1 . . . . . 12 ASP HB3 . 27734 1 111 . 1 1 12 12 ASP C C 13 178.4060 0.0000 . 1 . . . . . 12 ASP C . 27734 1 112 . 1 1 12 12 ASP CA C 13 54.7000 0.0000 . 1 . . . . . 12 ASP CA . 27734 1 113 . 1 1 12 12 ASP CB C 13 39.7450 0.0000 . 1 . . . . . 12 ASP CB . 27734 1 114 . 1 1 12 12 ASP N N 15 120.0820 0.0000 . 1 . . . . . 12 ASP N . 27734 1 115 . 1 1 13 13 GLY H H 1 8.9230 0.0000 . 1 . . . . . 13 GLY H . 27734 1 116 . 1 1 13 13 GLY HA2 H 1 4.0400 0.0000 . 1 . . . . . 13 GLY HA2 . 27734 1 117 . 1 1 13 13 GLY HA3 H 1 3.5200 0.0000 . 1 . . . . . 13 GLY HA3 . 27734 1 118 . 1 1 13 13 GLY C C 13 173.3320 0.0000 . 1 . . . . . 13 GLY C . 27734 1 119 . 1 1 13 13 GLY CA C 13 46.0240 0.0000 . 1 . . . . . 13 GLY CA . 27734 1 120 . 1 1 13 13 GLY N N 15 108.5350 0.0000 . 1 . . . . . 13 GLY N . 27734 1 121 . 1 1 14 14 LYS H H 1 9.0250 0.0000 . 1 . . . . . 14 LYS H . 27734 1 122 . 1 1 14 14 LYS HA H 1 4.6710 0.0000 . 1 . . . . . 14 LYS HA . 27734 1 123 . 1 1 14 14 LYS HB2 H 1 1.6700 0.0000 . 1 . . . . . 14 LYS HB2 . 27734 1 124 . 1 1 14 14 LYS HB3 H 1 1.5300 0.0000 . 1 . . . . . 14 LYS HB3 . 27734 1 125 . 1 1 14 14 LYS HG3 H 1 1.3600 0.0000 . 1 . . . . . 14 LYS HG3 . 27734 1 126 . 1 1 14 14 LYS C C 13 175.2190 0.0000 . 1 . . . . . 14 LYS C . 27734 1 127 . 1 1 14 14 LYS CA C 13 57.0590 0.0000 . 1 . . . . . 14 LYS CA . 27734 1 128 . 1 1 14 14 LYS CB C 13 36.9080 0.0000 . 1 . . . . . 14 LYS CB . 27734 1 129 . 1 1 14 14 LYS CG C 13 24.4600 0.0000 . 1 . . . . . 14 LYS CG . 27734 1 130 . 1 1 14 14 LYS N N 15 119.8520 0.0000 . 1 . . . . . 14 LYS N . 27734 1 131 . 1 1 15 15 ASN H H 1 9.7090 0.0000 . 1 . . . . . 15 ASN H . 27734 1 132 . 1 1 15 15 ASN HA H 1 4.9100 0.0000 . 1 . . . . . 15 ASN HA . 27734 1 133 . 1 1 15 15 ASN HB3 H 1 3.1300 0.0000 . 1 . . . . . 15 ASN HB3 . 27734 1 134 . 1 1 15 15 ASN C C 13 171.4330 0.0000 . 1 . . . . . 15 ASN C . 27734 1 135 . 1 1 15 15 ASN CA C 13 53.6000 0.0000 . 1 . . . . . 15 ASN CA . 27734 1 136 . 1 1 15 15 ASN CB C 13 39.8800 0.0000 . 1 . . . . . 15 ASN CB . 27734 1 137 . 1 1 15 15 ASN N N 15 123.4510 0.0000 . 1 . . . . . 15 ASN N . 27734 1 138 . 1 1 16 16 PHE H H 1 8.2490 0.0000 . 1 . . . . . 16 PHE H . 27734 1 139 . 1 1 16 16 PHE HA H 1 5.3500 0.0000 . 1 . . . . . 16 PHE HA . 27734 1 140 . 1 1 16 16 PHE HB3 H 1 2.6400 0.0000 . 1 . . . . . 16 PHE HB3 . 27734 1 141 . 1 1 16 16 PHE C C 13 174.6800 0.0000 . 1 . . . . . 16 PHE C . 27734 1 142 . 1 1 16 16 PHE CA C 13 53.8500 0.0000 . 1 . . . . . 16 PHE CA . 27734 1 143 . 1 1 16 16 PHE CB C 13 40.0000 0.0000 . 1 . . . . . 16 PHE CB . 27734 1 144 . 1 1 16 16 PHE N N 15 122.1180 0.0000 . 1 . . . . . 16 PHE N . 27734 1 145 . 1 1 17 17 PRO HA H 1 4.5730 0.0000 . 1 . . . . . 17 PRO HA . 27734 1 146 . 1 1 17 17 PRO HB2 H 1 2.0400 0.0000 . 1 . . . . . 17 PRO HB2 . 27734 1 147 . 1 1 17 17 PRO HB3 H 1 1.6300 0.0000 . 1 . . . . . 17 PRO HB3 . 27734 1 148 . 1 1 17 17 PRO C C 13 174.5870 0.0000 . 1 . . . . . 17 PRO C . 27734 1 149 . 1 1 17 17 PRO CA C 13 62.5540 0.0000 . 1 . . . . . 17 PRO CA . 27734 1 150 . 1 1 17 17 PRO CB C 13 32.7330 0.0000 . 1 . . . . . 17 PRO CB . 27734 1 151 . 1 1 18 18 LYS H H 1 9.4030 0.0000 . 1 . . . . . 18 LYS H . 27734 1 152 . 1 1 18 18 LYS HA H 1 4.5900 0.0000 . 1 . . . . . 18 LYS HA . 27734 1 153 . 1 1 18 18 LYS HB3 H 1 1.7600 0.0000 . 1 . . . . . 18 LYS HB3 . 27734 1 154 . 1 1 18 18 LYS C C 13 175.3890 0.0000 . 1 . . . . . 18 LYS C . 27734 1 155 . 1 1 18 18 LYS CA C 13 53.2190 0.0000 . 1 . . . . . 18 LYS CA . 27734 1 156 . 1 1 18 18 LYS CB C 13 35.1300 0.0000 . 1 . . . . . 18 LYS CB . 27734 1 157 . 1 1 18 18 LYS N N 15 122.3900 0.0000 . 1 . . . . . 18 LYS N . 27734 1 158 . 1 1 19 19 LYS H H 1 8.2860 0.0000 . 1 . . . . . 19 LYS H . 27734 1 159 . 1 1 19 19 LYS HA H 1 3.8530 0.0000 . 1 . . . . . 19 LYS HA . 27734 1 160 . 1 1 19 19 LYS HB2 H 1 1.8700 0.0000 . 1 . . . . . 19 LYS HB2 . 27734 1 161 . 1 1 19 19 LYS HB3 H 1 1.7200 0.0000 . 1 . . . . . 19 LYS HB3 . 27734 1 162 . 1 1 19 19 LYS HG2 H 1 1.5400 0.0000 . 1 . . . . . 19 LYS HG2 . 27734 1 163 . 1 1 19 19 LYS HG3 H 1 1.2900 0.0000 . 1 . . . . . 19 LYS HG3 . 27734 1 164 . 1 1 19 19 LYS C C 13 177.7430 0.0000 . 1 . . . . . 19 LYS C . 27734 1 165 . 1 1 19 19 LYS CA C 13 59.0880 0.0000 . 1 . . . . . 19 LYS CA . 27734 1 166 . 1 1 19 19 LYS CB C 13 32.2070 0.0000 . 1 . . . . . 19 LYS CB . 27734 1 167 . 1 1 19 19 LYS CG C 13 24.7000 0.0000 . 1 . . . . . 19 LYS CG . 27734 1 168 . 1 1 19 19 LYS N N 15 118.6600 0.0000 . 1 . . . . . 19 LYS N . 27734 1 169 . 1 1 20 20 GLY H H 1 9.0870 0.0000 . 1 . . . . . 20 GLY H . 27734 1 170 . 1 1 20 20 GLY HA2 H 1 4.4600 0.0000 . 1 . . . . . 20 GLY HA2 . 27734 1 171 . 1 1 20 20 GLY HA3 H 1 3.3400 0.0000 . 1 . . . . . 20 GLY HA3 . 27734 1 172 . 1 1 20 20 GLY C C 13 174.4270 0.0000 . 1 . . . . . 20 GLY C . 27734 1 173 . 1 1 20 20 GLY CA C 13 44.8490 0.0000 . 1 . . . . . 20 GLY CA . 27734 1 174 . 1 1 20 20 GLY N N 15 114.7580 0.0000 . 1 . . . . . 20 GLY N . 27734 1 175 . 1 1 21 21 ASP H H 1 8.4740 0.0000 . 1 . . . . . 21 ASP H . 27734 1 176 . 1 1 21 21 ASP HA H 1 4.8400 0.0000 . 1 . . . . . 21 ASP HA . 27734 1 177 . 1 1 21 21 ASP HB2 H 1 2.8500 0.0000 . 1 . . . . . 21 ASP HB2 . 27734 1 178 . 1 1 21 21 ASP HB3 H 1 2.5200 0.0000 . 1 . . . . . 21 ASP HB3 . 27734 1 179 . 1 1 21 21 ASP C C 13 176.0670 0.0000 . 1 . . . . . 21 ASP C . 27734 1 180 . 1 1 21 21 ASP CA C 13 55.1980 0.0000 . 1 . . . . . 21 ASP CA . 27734 1 181 . 1 1 21 21 ASP CB C 13 41.4040 0.0000 . 1 . . . . . 21 ASP CB . 27734 1 182 . 1 1 21 21 ASP N N 15 121.8100 0.0000 . 1 . . . . . 21 ASP N . 27734 1 183 . 1 1 22 22 LYS H H 1 8.3470 0.0000 . 1 . . . . . 22 LYS H . 27734 1 184 . 1 1 22 22 LYS HA H 1 5.1500 0.0000 . 1 . . . . . 22 LYS HA . 27734 1 185 . 1 1 22 22 LYS HB3 H 1 1.7300 0.0000 . 1 . . . . . 22 LYS HB3 . 27734 1 186 . 1 1 22 22 LYS C C 13 177.2810 0.0000 . 1 . . . . . 22 LYS C . 27734 1 187 . 1 1 22 22 LYS CA C 13 55.3080 0.0000 . 1 . . . . . 22 LYS CA . 27734 1 188 . 1 1 22 22 LYS CB C 13 33.5330 0.0000 . 1 . . . . . 22 LYS CB . 27734 1 189 . 1 1 22 22 LYS N N 15 120.3090 0.0000 . 1 . . . . . 22 LYS N . 27734 1 190 . 1 1 23 23 VAL H H 1 9.2190 0.0000 . 1 . . . . . 23 VAL H . 27734 1 191 . 1 1 23 23 VAL HA H 1 5.0800 0.0000 . 1 . . . . . 23 VAL HA . 27734 1 192 . 1 1 23 23 VAL HB H 1 1.9200 0.0000 . 1 . . . . . 23 VAL HB . 27734 1 193 . 1 1 23 23 VAL HG11 H 1 0.8500 0.0000 . 1 . . . . . 23 VAL HG11 . 27734 1 194 . 1 1 23 23 VAL HG12 H 1 0.8500 0.0000 . 1 . . . . . 23 VAL HG11 . 27734 1 195 . 1 1 23 23 VAL HG13 H 1 0.8500 0.0000 . 1 . . . . . 23 VAL HG11 . 27734 1 196 . 1 1 23 23 VAL HG21 H 1 0.7900 0.0000 . 1 . . . . . 23 VAL HG21 . 27734 1 197 . 1 1 23 23 VAL HG22 H 1 0.7900 0.0000 . 1 . . . . . 23 VAL HG21 . 27734 1 198 . 1 1 23 23 VAL HG23 H 1 0.7900 0.0000 . 1 . . . . . 23 VAL HG21 . 27734 1 199 . 1 1 23 23 VAL C C 13 173.9500 0.0000 . 1 . . . . . 23 VAL C . 27734 1 200 . 1 1 23 23 VAL CA C 13 59.0710 0.0000 . 1 . . . . . 23 VAL CA . 27734 1 201 . 1 1 23 23 VAL CB C 13 34.4260 0.0000 . 1 . . . . . 23 VAL CB . 27734 1 202 . 1 1 23 23 VAL CG1 C 13 19.8500 0.0000 . 1 . . . . . 23 VAL CG1 . 27734 1 203 . 1 1 23 23 VAL CG2 C 13 22.7900 0.0000 . 1 . . . . . 23 VAL CG2 . 27734 1 204 . 1 1 23 23 VAL N N 15 116.7600 0.0000 . 1 . . . . . 23 VAL N . 27734 1 205 . 1 1 24 24 THR H H 1 8.2600 0.0000 . 1 . . . . . 24 THR H . 27734 1 206 . 1 1 24 24 THR HA H 1 5.0640 0.0000 . 1 . . . . . 24 THR HA . 27734 1 207 . 1 1 24 24 THR HB H 1 3.8500 0.0000 . 1 . . . . . 24 THR HB . 27734 1 208 . 1 1 24 24 THR HG21 H 1 0.9800 0.0000 . 1 . . . . . 24 THR HG21 . 27734 1 209 . 1 1 24 24 THR HG22 H 1 0.9800 0.0000 . 1 . . . . . 24 THR HG21 . 27734 1 210 . 1 1 24 24 THR HG23 H 1 0.9800 0.0000 . 1 . . . . . 24 THR HG21 . 27734 1 211 . 1 1 24 24 THR C C 13 174.4660 0.0000 . 1 . . . . . 24 THR C . 27734 1 212 . 1 1 24 24 THR CA C 13 61.9300 0.0000 . 1 . . . . . 24 THR CA . 27734 1 213 . 1 1 24 24 THR CB C 13 69.5700 0.0000 . 1 . . . . . 24 THR CB . 27734 1 214 . 1 1 24 24 THR N N 15 118.2800 0.0000 . 1 . . . . . 24 THR N . 27734 1 215 . 1 1 25 25 ILE H H 1 9.6450 0.0000 . 1 . . . . . 25 ILE H . 27734 1 216 . 1 1 25 25 ILE HA H 1 5.5080 0.0000 . 1 . . . . . 25 ILE HA . 27734 1 217 . 1 1 25 25 ILE HB H 1 1.8100 0.0000 . 1 . . . . . 25 ILE HB . 27734 1 218 . 1 1 25 25 ILE HG21 H 1 0.7900 0.0000 . 1 . . . . . 25 ILE HG21 . 27734 1 219 . 1 1 25 25 ILE HG22 H 1 0.7900 0.0000 . 1 . . . . . 25 ILE HG21 . 27734 1 220 . 1 1 25 25 ILE HG23 H 1 0.7900 0.0000 . 1 . . . . . 25 ILE HG21 . 27734 1 221 . 1 1 25 25 ILE C C 13 174.8260 0.0000 . 1 . . . . . 25 ILE C . 27734 1 222 . 1 1 25 25 ILE CA C 13 58.6900 0.0000 . 1 . . . . . 25 ILE CA . 27734 1 223 . 1 1 25 25 ILE CB C 13 42.9480 0.0000 . 1 . . . . . 25 ILE CB . 27734 1 224 . 1 1 25 25 ILE CG2 C 13 17.2000 0.0000 . 1 . . . . . 25 ILE CG2 . 27734 1 225 . 1 1 25 25 ILE N N 15 121.5400 0.0000 . 1 . . . . . 25 ILE N . 27734 1 226 . 1 1 26 26 HIS H H 1 8.6130 0.0000 . 1 . . . . . 26 HIS H . 27734 1 227 . 1 1 26 26 HIS HA H 1 5.7800 0.0000 . 1 . . . . . 26 HIS HA . 27734 1 228 . 1 1 26 26 HIS C C 13 176.1510 0.0000 . 1 . . . . . 26 HIS C . 27734 1 229 . 1 1 26 26 HIS CA C 13 54.3130 0.0000 . 1 . . . . . 26 HIS CA . 27734 1 230 . 1 1 26 26 HIS CB C 13 35.2180 0.0000 . 1 . . . . . 26 HIS CB . 27734 1 231 . 1 1 26 26 HIS N N 15 121.0380 0.0000 . 1 . . . . . 26 HIS N . 27734 1 232 . 1 1 27 27 TYR H H 1 9.7430 0.0000 . 1 . . . . . 27 TYR H . 27734 1 233 . 1 1 27 27 TYR HA H 1 6.2200 0.0000 . 1 . . . . . 27 TYR HA . 27734 1 234 . 1 1 27 27 TYR HB2 H 1 2.8500 0.0000 . 1 . . . . . 27 TYR HB2 . 27734 1 235 . 1 1 27 27 TYR HB3 H 1 2.7400 0.0000 . 1 . . . . . 27 TYR HB3 . 27734 1 236 . 1 1 27 27 TYR C C 13 173.0870 0.0000 . 1 . . . . . 27 TYR C . 27734 1 237 . 1 1 27 27 TYR CA C 13 55.9250 0.0000 . 1 . . . . . 27 TYR CA . 27734 1 238 . 1 1 27 27 TYR CB C 13 43.4000 0.0000 . 1 . . . . . 27 TYR CB . 27734 1 239 . 1 1 27 27 TYR N N 15 116.5260 0.0000 . 1 . . . . . 27 TYR N . 27734 1 240 . 1 1 28 28 VAL H H 1 8.5340 0.0000 . 1 . . . . . 28 VAL H . 27734 1 241 . 1 1 28 28 VAL HA H 1 4.4100 0.0000 . 1 . . . . . 28 VAL HA . 27734 1 242 . 1 1 28 28 VAL HB H 1 2.1500 0.0000 . 1 . . . . . 28 VAL HB . 27734 1 243 . 1 1 28 28 VAL HG11 H 1 1.0400 0.0000 . 1 . . . . . 28 VAL HG11 . 27734 1 244 . 1 1 28 28 VAL HG12 H 1 1.0400 0.0000 . 1 . . . . . 28 VAL HG11 . 27734 1 245 . 1 1 28 28 VAL HG13 H 1 1.0400 0.0000 . 1 . . . . . 28 VAL HG11 . 27734 1 246 . 1 1 28 28 VAL C C 13 176.3000 0.0000 . 1 . . . . . 28 VAL C . 27734 1 247 . 1 1 28 28 VAL CA C 13 62.7000 0.0000 . 1 . . . . . 28 VAL CA . 27734 1 248 . 1 1 28 28 VAL CB C 13 35.2220 0.0000 . 1 . . . . . 28 VAL CB . 27734 1 249 . 1 1 28 28 VAL CG1 C 13 20.0100 0.0000 . 1 . . . . . 28 VAL CG1 . 27734 1 250 . 1 1 28 28 VAL N N 15 119.6740 0.0000 . 1 . . . . . 28 VAL N . 27734 1 251 . 1 1 29 29 GLY H H 1 9.4220 0.0000 . 1 . . . . . 29 GLY H . 27734 1 252 . 1 1 29 29 GLY HA2 H 1 5.0100 0.0000 . 1 . . . . . 29 GLY HA2 . 27734 1 253 . 1 1 29 29 GLY HA3 H 1 2.5300 0.0000 . 1 . . . . . 29 GLY HA3 . 27734 1 254 . 1 1 29 29 GLY C C 13 172.3870 0.0000 . 1 . . . . . 29 GLY C . 27734 1 255 . 1 1 29 29 GLY CA C 13 45.6000 0.0000 . 1 . . . . . 29 GLY CA . 27734 1 256 . 1 1 29 29 GLY N N 15 118.1380 0.0000 . 1 . . . . . 29 GLY N . 27734 1 257 . 1 1 30 30 THR H H 1 9.3950 0.0000 . 1 . . . . . 30 THR H . 27734 1 258 . 1 1 30 30 THR HA H 1 5.4400 0.0000 . 1 . . . . . 30 THR HA . 27734 1 259 . 1 1 30 30 THR HB H 1 4.0500 0.0000 . 1 . . . . . 30 THR HB . 27734 1 260 . 1 1 30 30 THR C C 13 175.0070 0.0000 . 1 . . . . . 30 THR C . 27734 1 261 . 1 1 30 30 THR CA C 13 59.1000 0.0000 . 1 . . . . . 30 THR CA . 27734 1 262 . 1 1 30 30 THR CB C 13 72.9520 0.0000 . 1 . . . . . 30 THR CB . 27734 1 263 . 1 1 30 30 THR N N 15 117.7460 0.0000 . 1 . . . . . 30 THR N . 27734 1 264 . 1 1 31 31 LEU H H 1 8.8280 0.0000 . 1 . . . . . 31 LEU H . 27734 1 265 . 1 1 31 31 LEU HA H 1 4.7600 0.0000 . 1 . . . . . 31 LEU HA . 27734 1 266 . 1 1 31 31 LEU HB3 H 1 2.1800 0.0000 . 1 . . . . . 31 LEU HB3 . 27734 1 267 . 1 1 31 31 LEU C C 13 179.7740 0.0000 . 1 . . . . . 31 LEU C . 27734 1 268 . 1 1 31 31 LEU CA C 13 53.8000 0.0000 . 1 . . . . . 31 LEU CA . 27734 1 269 . 1 1 31 31 LEU CB C 13 42.3390 0.0000 . 1 . . . . . 31 LEU CB . 27734 1 270 . 1 1 31 31 LEU N N 15 120.6120 0.0000 . 1 . . . . . 31 LEU N . 27734 1 271 . 1 1 32 32 GLU H H 1 9.4850 0.0000 . 1 . . . . . 32 GLU H . 27734 1 272 . 1 1 32 32 GLU HA H 1 3.9800 0.0000 . 1 . . . . . 32 GLU HA . 27734 1 273 . 1 1 32 32 GLU HB3 H 1 2.1300 0.0000 . 1 . . . . . 32 GLU HB3 . 27734 1 274 . 1 1 32 32 GLU HG2 H 1 2.4700 0.0000 . 1 . . . . . 32 GLU HG2 . 27734 1 275 . 1 1 32 32 GLU HG3 H 1 2.3100 0.0000 . 1 . . . . . 32 GLU HG3 . 27734 1 276 . 1 1 32 32 GLU C C 13 177.2400 0.0000 . 1 . . . . . 32 GLU C . 27734 1 277 . 1 1 32 32 GLU CA C 13 59.8110 0.0000 . 1 . . . . . 32 GLU CA . 27734 1 278 . 1 1 32 32 GLU CB C 13 29.7230 0.0000 . 1 . . . . . 32 GLU CB . 27734 1 279 . 1 1 32 32 GLU CG C 13 36.8400 0.0000 . 1 . . . . . 32 GLU CG . 27734 1 280 . 1 1 32 32 GLU N N 15 122.4920 0.0000 . 1 . . . . . 32 GLU N . 27734 1 281 . 1 1 33 33 ASN H H 1 7.8070 0.0000 . 1 . . . . . 33 ASN H . 27734 1 282 . 1 1 33 33 ASN HA H 1 4.5400 0.0000 . 1 . . . . . 33 ASN HA . 27734 1 283 . 1 1 33 33 ASN C C 13 176.3950 0.0000 . 1 . . . . . 33 ASN C . 27734 1 284 . 1 1 33 33 ASN CA C 13 52.8080 0.0000 . 1 . . . . . 33 ASN CA . 27734 1 285 . 1 1 33 33 ASN CB C 13 37.0000 0.0000 . 1 . . . . . 33 ASN CB . 27734 1 286 . 1 1 33 33 ASN N N 15 114.6230 0.0000 . 1 . . . . . 33 ASN N . 27734 1 287 . 1 1 34 34 GLY H H 1 8.1820 0.0000 . 1 . . . . . 34 GLY H . 27734 1 288 . 1 1 34 34 GLY HA2 H 1 4.4200 0.0000 . 1 . . . . . 34 GLY HA2 . 27734 1 289 . 1 1 34 34 GLY HA3 H 1 3.6600 0.0000 . 1 . . . . . 34 GLY HA3 . 27734 1 290 . 1 1 34 34 GLY C C 13 174.3450 0.0000 . 1 . . . . . 34 GLY C . 27734 1 291 . 1 1 34 34 GLY CA C 13 44.7320 0.0000 . 1 . . . . . 34 GLY CA . 27734 1 292 . 1 1 34 34 GLY N N 15 108.7260 0.0000 . 1 . . . . . 34 GLY N . 27734 1 293 . 1 1 35 35 ASP H H 1 8.1480 0.0000 . 1 . . . . . 35 ASP H . 27734 1 294 . 1 1 35 35 ASP HA H 1 4.4900 0.0000 . 1 . . . . . 35 ASP HA . 27734 1 295 . 1 1 35 35 ASP HB2 H 1 2.8400 0.0000 . 1 . . . . . 35 ASP HB2 . 27734 1 296 . 1 1 35 35 ASP HB3 H 1 2.6100 0.0000 . 1 . . . . . 35 ASP HB3 . 27734 1 297 . 1 1 35 35 ASP C C 13 176.0280 0.0000 . 1 . . . . . 35 ASP C . 27734 1 298 . 1 1 35 35 ASP CA C 13 55.1090 0.0000 . 1 . . . . . 35 ASP CA . 27734 1 299 . 1 1 35 35 ASP CB C 13 40.2000 0.0000 . 1 . . . . . 35 ASP CB . 27734 1 300 . 1 1 35 35 ASP N N 15 122.0140 0.0000 . 1 . . . . . 35 ASP N . 27734 1 301 . 1 1 36 36 LYS H H 1 8.6140 0.0000 . 1 . . . . . 36 LYS H . 27734 1 302 . 1 1 36 36 LYS HA H 1 4.6800 0.0000 . 1 . . . . . 36 LYS HA . 27734 1 303 . 1 1 36 36 LYS HB2 H 1 1.7600 0.0000 . 1 . . . . . 36 LYS HB2 . 27734 1 304 . 1 1 36 36 LYS HG3 H 1 1.1700 0.0000 . 1 . . . . . 36 LYS HG3 . 27734 1 305 . 1 1 36 36 LYS C C 13 176.8010 0.0000 . 1 . . . . . 36 LYS C . 27734 1 306 . 1 1 36 36 LYS CA C 13 56.4000 0.0000 . 1 . . . . . 36 LYS CA . 27734 1 307 . 1 1 36 36 LYS CB C 13 32.7000 0.0000 . 1 . . . . . 36 LYS CB . 27734 1 308 . 1 1 36 36 LYS CG C 13 23.7300 0.0000 . 1 . . . . . 36 LYS CG . 27734 1 309 . 1 1 36 36 LYS N N 15 124.5900 0.0000 . 1 . . . . . 36 LYS N . 27734 1 310 . 1 1 37 37 PHE H H 1 8.3270 0.0000 . 1 . . . . . 37 PHE H . 27734 1 311 . 1 1 37 37 PHE HA H 1 5.1500 0.0000 . 1 . . . . . 37 PHE HA . 27734 1 312 . 1 1 37 37 PHE HB2 H 1 3.2900 0.0000 . 1 . . . . . 37 PHE HB2 . 27734 1 313 . 1 1 37 37 PHE HB3 H 1 2.7100 0.0000 . 1 . . . . . 37 PHE HB3 . 27734 1 314 . 1 1 37 37 PHE C C 13 174.1620 0.0000 . 1 . . . . . 37 PHE C . 27734 1 315 . 1 1 37 37 PHE CA C 13 56.4050 0.0000 . 1 . . . . . 37 PHE CA . 27734 1 316 . 1 1 37 37 PHE CB C 13 40.8000 0.0000 . 1 . . . . . 37 PHE CB . 27734 1 317 . 1 1 37 37 PHE N N 15 121.9790 0.0000 . 1 . . . . . 37 PHE N . 27734 1 318 . 1 1 38 38 ASP H H 1 6.7640 0.0000 . 1 . . . . . 38 ASP H . 27734 1 319 . 1 1 38 38 ASP HA H 1 4.8200 0.0000 . 1 . . . . . 38 ASP HA . 27734 1 320 . 1 1 38 38 ASP HB2 H 1 3.3700 0.0000 . 1 . . . . . 38 ASP HB2 . 27734 1 321 . 1 1 38 38 ASP HB3 H 1 2.3000 0.0000 . 1 . . . . . 38 ASP HB3 . 27734 1 322 . 1 1 38 38 ASP C C 13 174.5800 0.0000 . 1 . . . . . 38 ASP C . 27734 1 323 . 1 1 38 38 ASP CA C 13 54.7120 0.0000 . 1 . . . . . 38 ASP CA . 27734 1 324 . 1 1 38 38 ASP CB C 13 44.0510 0.0000 . 1 . . . . . 38 ASP CB . 27734 1 325 . 1 1 38 38 ASP N N 15 118.0770 0.0000 . 1 . . . . . 38 ASP N . 27734 1 326 . 1 1 39 39 SER H H 1 8.2700 0.0000 . 1 . . . . . 39 SER H . 27734 1 327 . 1 1 39 39 SER HA H 1 4.9100 0.0000 . 1 . . . . . 39 SER HA . 27734 1 328 . 1 1 39 39 SER C C 13 175.0750 0.0000 . 1 . . . . . 39 SER C . 27734 1 329 . 1 1 39 39 SER CA C 13 55.7000 0.0000 . 1 . . . . . 39 SER CA . 27734 1 330 . 1 1 39 39 SER CB C 13 65.0560 0.0000 . 1 . . . . . 39 SER CB . 27734 1 331 . 1 1 39 39 SER N N 15 118.5800 0.0000 . 1 . . . . . 39 SER N . 27734 1 332 . 1 1 40 40 SER H H 1 8.3790 0.0000 . 1 . . . . . 40 SER H . 27734 1 333 . 1 1 40 40 SER HA H 1 4.1400 0.0000 . 1 . . . . . 40 SER HA . 27734 1 334 . 1 1 40 40 SER C C 13 176.8720 0.0000 . 1 . . . . . 40 SER C . 27734 1 335 . 1 1 40 40 SER CA C 13 61.5400 0.0000 . 1 . . . . . 40 SER CA . 27734 1 336 . 1 1 40 40 SER CB C 13 65.0600 0.0000 . 1 . . . . . 40 SER CB . 27734 1 337 . 1 1 40 40 SER N N 15 125.1190 0.0000 . 1 . . . . . 40 SER N . 27734 1 338 . 1 1 41 41 ARG H H 1 7.3020 0.0000 . 1 . . . . . 41 ARG H . 27734 1 339 . 1 1 41 41 ARG HA H 1 3.6800 0.0000 . 1 . . . . . 41 ARG HA . 27734 1 340 . 1 1 41 41 ARG C C 13 179.8610 0.0000 . 1 . . . . . 41 ARG C . 27734 1 341 . 1 1 41 41 ARG CA C 13 59.1020 0.0000 . 1 . . . . . 41 ARG CA . 27734 1 342 . 1 1 41 41 ARG CB C 13 28.7000 0.0000 . 1 . . . . . 41 ARG CB . 27734 1 343 . 1 1 41 41 ARG N N 15 123.4920 0.0000 . 1 . . . . . 41 ARG N . 27734 1 344 . 1 1 42 42 ASP H H 1 7.6610 0.0000 . 1 . . . . . 42 ASP H . 27734 1 345 . 1 1 42 42 ASP HA H 1 4.3400 0.0000 . 1 . . . . . 42 ASP HA . 27734 1 346 . 1 1 42 42 ASP HB2 H 1 2.8300 0.0000 . 1 . . . . . 42 ASP HB2 . 27734 1 347 . 1 1 42 42 ASP HB3 H 1 2.6100 0.0000 . 1 . . . . . 42 ASP HB3 . 27734 1 348 . 1 1 42 42 ASP C C 13 177.4400 0.0000 . 1 . . . . . 42 ASP C . 27734 1 349 . 1 1 42 42 ASP CA C 13 56.3000 0.0000 . 1 . . . . . 42 ASP CA . 27734 1 350 . 1 1 42 42 ASP CB C 13 40.1000 0.0000 . 1 . . . . . 42 ASP CB . 27734 1 351 . 1 1 42 42 ASP N N 15 119.5790 0.0000 . 1 . . . . . 42 ASP N . 27734 1 352 . 1 1 43 43 ARG H H 1 7.0050 0.0000 . 1 . . . . . 43 ARG H . 27734 1 353 . 1 1 43 43 ARG HA H 1 4.3900 0.0000 . 1 . . . . . 43 ARG HA . 27734 1 354 . 1 1 43 43 ARG HB3 H 1 2.1200 0.0000 . 1 . . . . . 43 ARG HB3 . 27734 1 355 . 1 1 43 43 ARG HG3 H 1 1.7100 0.0000 . 1 . . . . . 43 ARG HG3 . 27734 1 356 . 1 1 43 43 ARG C C 13 177.6340 0.0000 . 1 . . . . . 43 ARG C . 27734 1 357 . 1 1 43 43 ARG CA C 13 57.6000 0.0000 . 1 . . . . . 43 ARG CA . 27734 1 358 . 1 1 43 43 ARG CB C 13 31.5000 0.0000 . 1 . . . . . 43 ARG CB . 27734 1 359 . 1 1 43 43 ARG CG C 13 28.3400 0.0000 . 1 . . . . . 43 ARG CG . 27734 1 360 . 1 1 43 43 ARG N N 15 116.6130 0.0000 . 1 . . . . . 43 ARG N . 27734 1 361 . 1 1 44 44 GLY H H 1 7.7370 0.0000 . 1 . . . . . 44 GLY H . 27734 1 362 . 1 1 44 44 GLY HA2 H 1 4.3200 0.0000 . 1 . . . . . 44 GLY HA2 . 27734 1 363 . 1 1 44 44 GLY HA3 H 1 3.8400 0.0000 . 1 . . . . . 44 GLY HA3 . 27734 1 364 . 1 1 44 44 GLY C C 13 173.8710 0.0000 . 1 . . . . . 44 GLY C . 27734 1 365 . 1 1 44 44 GLY CA C 13 45.7000 0.0000 . 1 . . . . . 44 GLY CA . 27734 1 366 . 1 1 44 44 GLY N N 15 106.4120 0.0000 . 1 . . . . . 44 GLY N . 27734 1 367 . 1 1 45 45 SER H H 1 7.4350 0.0000 . 1 . . . . . 45 SER H . 27734 1 368 . 1 1 45 45 SER HA H 1 5.0600 0.0000 . 1 . . . . . 45 SER HA . 27734 1 369 . 1 1 45 45 SER HB3 H 1 3.8000 0.0000 . 1 . . . . . 45 SER HB3 . 27734 1 370 . 1 1 45 45 SER C C 13 171.0700 0.0000 . 1 . . . . . 45 SER C . 27734 1 371 . 1 1 45 45 SER CA C 13 55.4000 0.0000 . 1 . . . . . 45 SER CA . 27734 1 372 . 1 1 45 45 SER CB C 13 64.9000 0.0000 . 1 . . . . . 45 SER CB . 27734 1 373 . 1 1 45 45 SER N N 15 112.9440 0.0000 . 1 . . . . . 45 SER N . 27734 1 374 . 1 1 46 46 PRO HA H 1 3.9320 0.0000 . 1 . . . . . 46 PRO HA . 27734 1 375 . 1 1 46 46 PRO HB2 H 1 1.4700 0.0000 . 1 . . . . . 46 PRO HB2 . 27734 1 376 . 1 1 46 46 PRO HB3 H 1 1.0500 0.0000 . 1 . . . . . 46 PRO HB3 . 27734 1 377 . 1 1 46 46 PRO C C 13 174.2890 0.0000 . 1 . . . . . 46 PRO C . 27734 1 378 . 1 1 46 46 PRO CA C 13 62.7900 0.0000 . 1 . . . . . 46 PRO CA . 27734 1 379 . 1 1 46 46 PRO CB C 13 32.0200 0.0000 . 1 . . . . . 46 PRO CB . 27734 1 380 . 1 1 47 47 PHE H H 1 8.9940 0.0000 . 1 . . . . . 47 PHE H . 27734 1 381 . 1 1 47 47 PHE HA H 1 4.8690 0.0000 . 1 . . . . . 47 PHE HA . 27734 1 382 . 1 1 47 47 PHE HB2 H 1 3.5300 0.0000 . 1 . . . . . 47 PHE HB2 . 27734 1 383 . 1 1 47 47 PHE HB3 H 1 3.2200 0.0000 . 1 . . . . . 47 PHE HB3 . 27734 1 384 . 1 1 47 47 PHE C C 13 173.4040 0.0000 . 1 . . . . . 47 PHE C . 27734 1 385 . 1 1 47 47 PHE CA C 13 57.1000 0.0000 . 1 . . . . . 47 PHE CA . 27734 1 386 . 1 1 47 47 PHE CB C 13 42.6000 0.0000 . 1 . . . . . 47 PHE CB . 27734 1 387 . 1 1 47 47 PHE N N 15 123.6520 0.0000 . 1 . . . . . 47 PHE N . 27734 1 388 . 1 1 48 48 GLN H H 1 7.7770 0.0000 . 1 . . . . . 48 GLN H . 27734 1 389 . 1 1 48 48 GLN HA H 1 5.7500 0.0000 . 1 . . . . . 48 GLN HA . 27734 1 390 . 1 1 48 48 GLN HB3 H 1 1.7100 0.0000 . 1 . . . . . 48 GLN HB3 . 27734 1 391 . 1 1 48 48 GLN HG2 H 1 2.1500 0.0000 . 1 . . . . . 48 GLN HG2 . 27734 1 392 . 1 1 48 48 GLN C C 13 174.1520 0.0000 . 1 . . . . . 48 GLN C . 27734 1 393 . 1 1 48 48 GLN CA C 13 53.3000 0.0000 . 1 . . . . . 48 GLN CA . 27734 1 394 . 1 1 48 48 GLN CB C 13 32.1000 0.0000 . 1 . . . . . 48 GLN CB . 27734 1 395 . 1 1 48 48 GLN N N 15 125.7180 0.0000 . 1 . . . . . 48 GLN N . 27734 1 396 . 1 1 49 49 CYS H H 1 8.3920 0.0000 . 1 . . . . . 49 CYS H . 27734 1 397 . 1 1 49 49 CYS HA H 1 4.7770 0.0000 . 1 . . . . . 49 CYS HA . 27734 1 398 . 1 1 49 49 CYS HB3 H 1 2.9610 0.0000 . 1 . . . . . 49 CYS HB3 . 27734 1 399 . 1 1 49 49 CYS C C 13 172.2070 0.0000 . 1 . . . . . 49 CYS C . 27734 1 400 . 1 1 49 49 CYS CA C 13 55.2000 0.0000 . 1 . . . . . 49 CYS CA . 27734 1 401 . 1 1 49 49 CYS CB C 13 31.1000 0.0000 . 1 . . . . . 49 CYS CB . 27734 1 402 . 1 1 49 49 CYS N N 15 115.1620 0.0000 . 1 . . . . . 49 CYS N . 27734 1 403 . 1 1 50 50 THR H H 1 8.4340 0.0000 . 1 . . . . . 50 THR H . 27734 1 404 . 1 1 50 50 THR HA H 1 4.7900 0.0000 . 1 . . . . . 50 THR HA . 27734 1 405 . 1 1 50 50 THR HB H 1 3.7900 0.0000 . 1 . . . . . 50 THR HB . 27734 1 406 . 1 1 50 50 THR C C 13 173.6030 0.0000 . 1 . . . . . 50 THR C . 27734 1 407 . 1 1 50 50 THR CA C 13 62.7120 0.0000 . 1 . . . . . 50 THR CA . 27734 1 408 . 1 1 50 50 THR CB C 13 68.4670 0.0000 . 1 . . . . . 50 THR CB . 27734 1 409 . 1 1 50 50 THR N N 15 117.9880 0.0000 . 1 . . . . . 50 THR N . 27734 1 410 . 1 1 51 51 ILE H H 1 9.1770 0.0000 . 1 . . . . . 51 ILE H . 27734 1 411 . 1 1 51 51 ILE HA H 1 4.5500 0.0000 . 1 . . . . . 51 ILE HA . 27734 1 412 . 1 1 51 51 ILE C C 13 174.3570 0.0000 . 1 . . . . . 51 ILE C . 27734 1 413 . 1 1 51 51 ILE CA C 13 56.7310 0.0000 . 1 . . . . . 51 ILE CA . 27734 1 414 . 1 1 51 51 ILE CB C 13 42.0900 0.0000 . 1 . . . . . 51 ILE CB . 27734 1 415 . 1 1 51 51 ILE N N 15 129.3600 0.0000 . 1 . . . . . 51 ILE N . 27734 1 416 . 1 1 52 52 GLY H H 1 8.8220 0.0000 . 1 . . . . . 52 GLY H . 27734 1 417 . 1 1 52 52 GLY HA2 H 1 4.0900 0.0000 . 1 . . . . . 52 GLY HA2 . 27734 1 418 . 1 1 52 52 GLY HA3 H 1 3.6600 0.0000 . 1 . . . . . 52 GLY HA3 . 27734 1 419 . 1 1 52 52 GLY C C 13 173.8900 0.0000 . 1 . . . . . 52 GLY C . 27734 1 420 . 1 1 52 52 GLY CA C 13 46.0770 0.0000 . 1 . . . . . 52 GLY CA . 27734 1 421 . 1 1 52 52 GLY N N 15 113.3610 0.0000 . 1 . . . . . 52 GLY N . 27734 1 422 . 1 1 53 53 VAL H H 1 8.3030 0.0000 . 1 . . . . . 53 VAL H . 27734 1 423 . 1 1 53 53 VAL HA H 1 4.7800 0.0000 . 1 . . . . . 53 VAL HA . 27734 1 424 . 1 1 53 53 VAL HB H 1 2.6100 0.0000 . 1 . . . . . 53 VAL HB . 27734 1 425 . 1 1 53 53 VAL HG11 H 1 0.6800 0.0000 . 1 . . . . . 53 VAL HG11 . 27734 1 426 . 1 1 53 53 VAL HG12 H 1 0.6800 0.0000 . 1 . . . . . 53 VAL HG11 . 27734 1 427 . 1 1 53 53 VAL HG13 H 1 0.6800 0.0000 . 1 . . . . . 53 VAL HG11 . 27734 1 428 . 1 1 53 53 VAL HG21 H 1 0.8100 0.0000 . 1 . . . . . 53 VAL HG21 . 27734 1 429 . 1 1 53 53 VAL HG22 H 1 0.8100 0.0000 . 1 . . . . . 53 VAL HG21 . 27734 1 430 . 1 1 53 53 VAL HG23 H 1 0.8100 0.0000 . 1 . . . . . 53 VAL HG21 . 27734 1 431 . 1 1 53 53 VAL C C 13 176.4250 0.0000 . 1 . . . . . 53 VAL C . 27734 1 432 . 1 1 53 53 VAL CA C 13 59.8450 0.0000 . 1 . . . . . 53 VAL CA . 27734 1 433 . 1 1 53 53 VAL CB C 13 32.6580 0.0000 . 1 . . . . . 53 VAL CB . 27734 1 434 . 1 1 53 53 VAL CG1 C 13 18.7300 0.0000 . 1 . . . . . 53 VAL CG1 . 27734 1 435 . 1 1 53 53 VAL CG2 C 13 20.4700 0.0000 . 1 . . . . . 53 VAL CG2 . 27734 1 436 . 1 1 53 53 VAL N N 15 110.3390 0.0000 . 1 . . . . . 53 VAL N . 27734 1 437 . 1 1 54 54 GLY H H 1 9.2100 0.0000 . 1 . . . . . 54 GLY H . 27734 1 438 . 1 1 54 54 GLY HA2 H 1 4.0900 0.0000 . 1 . . . . . 54 GLY HA2 . 27734 1 439 . 1 1 54 54 GLY C C 13 175.6950 0.0000 . 1 . . . . . 54 GLY C . 27734 1 440 . 1 1 54 54 GLY CA C 13 46.2130 0.0000 . 1 . . . . . 54 GLY CA . 27734 1 441 . 1 1 54 54 GLY N N 15 114.5230 0.0000 . 1 . . . . . 54 GLY N . 27734 1 442 . 1 1 55 55 GLN H H 1 9.3950 0.0000 . 1 . . . . . 55 GLN H . 27734 1 443 . 1 1 55 55 GLN HA H 1 4.2850 0.0000 . 1 . . . . . 55 GLN HA . 27734 1 444 . 1 1 55 55 GLN HB3 H 1 2.0100 0.0000 . 1 . . . . . 55 GLN HB3 . 27734 1 445 . 1 1 55 55 GLN HG3 H 1 2.4650 0.0000 . 1 . . . . . 55 GLN HG3 . 27734 1 446 . 1 1 55 55 GLN C C 13 175.6280 0.0000 . 1 . . . . . 55 GLN C . 27734 1 447 . 1 1 55 55 GLN CA C 13 57.2730 0.0000 . 1 . . . . . 55 GLN CA . 27734 1 448 . 1 1 55 55 GLN CB C 13 29.9030 0.0000 . 1 . . . . . 55 GLN CB . 27734 1 449 . 1 1 55 55 GLN CG C 13 34.7300 0.0000 . 1 . . . . . 55 GLN CG . 27734 1 450 . 1 1 55 55 GLN N N 15 120.4430 0.0000 . 1 . . . . . 55 GLN N . 27734 1 451 . 1 1 56 56 VAL H H 1 7.0620 0.0000 . 1 . . . . . 56 VAL H . 27734 1 452 . 1 1 56 56 VAL HA H 1 4.4600 0.0000 . 1 . . . . . 56 VAL HA . 27734 1 453 . 1 1 56 56 VAL C C 13 174.8400 0.0000 . 1 . . . . . 56 VAL C . 27734 1 454 . 1 1 56 56 VAL CA C 13 58.3250 0.0000 . 1 . . . . . 56 VAL CA . 27734 1 455 . 1 1 56 56 VAL N N 15 109.8210 0.0000 . 1 . . . . . 56 VAL N . 27734 1 456 . 1 1 57 57 ILE H H 1 7.1500 0.0000 . 1 . . . . . 57 ILE H . 27734 1 457 . 1 1 57 57 ILE HA H 1 3.8600 0.0000 . 1 . . . . . 57 ILE HA . 27734 1 458 . 1 1 57 57 ILE HB H 1 1.9810 0.0000 . 1 . . . . . 57 ILE HB . 27734 1 459 . 1 1 57 57 ILE C C 13 177.2900 0.0000 . 1 . . . . . 57 ILE C . 27734 1 460 . 1 1 57 57 ILE CA C 13 62.0000 0.0000 . 1 . . . . . 57 ILE CA . 27734 1 461 . 1 1 57 57 ILE CB C 13 38.5800 0.0000 . 1 . . . . . 57 ILE CB . 27734 1 462 . 1 1 57 57 ILE N N 15 110.6200 0.0000 . 1 . . . . . 57 ILE N . 27734 1 463 . 1 1 58 58 LYS H H 1 8.7690 0.0000 . 1 . . . . . 58 LYS H . 27734 1 464 . 1 1 58 58 LYS HA H 1 4.0400 0.0000 . 1 . . . . . 58 LYS HA . 27734 1 465 . 1 1 58 58 LYS C C 13 179.0500 0.0000 . 1 . . . . . 58 LYS C . 27734 1 466 . 1 1 58 58 LYS CA C 13 59.9520 0.0000 . 1 . . . . . 58 LYS CA . 27734 1 467 . 1 1 58 58 LYS CB C 13 32.9000 0.0000 . 1 . . . . . 58 LYS CB . 27734 1 468 . 1 1 58 58 LYS N N 15 125.6600 0.0000 . 1 . . . . . 58 LYS N . 27734 1 469 . 1 1 59 59 GLY H H 1 9.3500 0.0000 . 1 . . . . . 59 GLY H . 27734 1 470 . 1 1 59 59 GLY HA2 H 1 4.2400 0.0000 . 1 . . . . . 59 GLY HA2 . 27734 1 471 . 1 1 59 59 GLY HA3 H 1 3.9900 0.0000 . 1 . . . . . 59 GLY HA3 . 27734 1 472 . 1 1 59 59 GLY C C 13 175.5900 0.0000 . 1 . . . . . 59 GLY C . 27734 1 473 . 1 1 59 59 GLY CA C 13 47.6700 0.0000 . 1 . . . . . 59 GLY CA . 27734 1 474 . 1 1 59 59 GLY N N 15 102.6500 0.0000 . 1 . . . . . 59 GLY N . 27734 1 475 . 1 1 60 60 TRP H H 1 7.6030 0.0000 . 1 . . . . . 60 TRP H . 27734 1 476 . 1 1 60 60 TRP HA H 1 4.6100 0.0000 . 1 . . . . . 60 TRP HA . 27734 1 477 . 1 1 60 60 TRP HB2 H 1 3.3160 0.0000 . 1 . . . . . 60 TRP HB2 . 27734 1 478 . 1 1 60 60 TRP HB3 H 1 2.8200 0.0000 . 1 . . . . . 60 TRP HB3 . 27734 1 479 . 1 1 60 60 TRP C C 13 177.7650 0.0000 . 1 . . . . . 60 TRP C . 27734 1 480 . 1 1 60 60 TRP CA C 13 59.0200 0.0000 . 1 . . . . . 60 TRP CA . 27734 1 481 . 1 1 60 60 TRP CB C 13 28.8270 0.0000 . 1 . . . . . 60 TRP CB . 27734 1 482 . 1 1 60 60 TRP N N 15 118.5720 0.0000 . 1 . . . . . 60 TRP N . 27734 1 483 . 1 1 61 61 ASP H H 1 7.7970 0.0000 . 1 . . . . . 61 ASP H . 27734 1 484 . 1 1 61 61 ASP HA H 1 4.5490 0.0000 . 1 . . . . . 61 ASP HA . 27734 1 485 . 1 1 61 61 ASP HB3 H 1 2.8200 0.0000 . 1 . . . . . 61 ASP HB3 . 27734 1 486 . 1 1 61 61 ASP C C 13 177.9190 0.0000 . 1 . . . . . 61 ASP C . 27734 1 487 . 1 1 61 61 ASP CA C 13 58.5850 0.0000 . 1 . . . . . 61 ASP CA . 27734 1 488 . 1 1 61 61 ASP CB C 13 40.3430 0.0000 . 1 . . . . . 61 ASP CB . 27734 1 489 . 1 1 61 61 ASP N N 15 122.2450 0.0000 . 1 . . . . . 61 ASP N . 27734 1 490 . 1 1 62 62 GLU H H 1 8.2730 0.0000 . 1 . . . . . 62 GLU H . 27734 1 491 . 1 1 62 62 GLU HA H 1 4.4040 0.0000 . 1 . . . . . 62 GLU HA . 27734 1 492 . 1 1 62 62 GLU HB2 H 1 2.2700 0.0000 . 1 . . . . . 62 GLU HB2 . 27734 1 493 . 1 1 62 62 GLU HB3 H 1 1.8600 0.0000 . 1 . . . . . 62 GLU HB3 . 27734 1 494 . 1 1 62 62 GLU HG3 H 1 2.3400 0.0000 . 1 . . . . . 62 GLU HG3 . 27734 1 495 . 1 1 62 62 GLU C C 13 177.1950 0.0000 . 1 . . . . . 62 GLU C . 27734 1 496 . 1 1 62 62 GLU CA C 13 56.7950 0.0000 . 1 . . . . . 62 GLU CA . 27734 1 497 . 1 1 62 62 GLU CB C 13 30.7020 0.0000 . 1 . . . . . 62 GLU CB . 27734 1 498 . 1 1 62 62 GLU CG C 13 36.3500 0.0000 . 1 . . . . . 62 GLU CG . 27734 1 499 . 1 1 62 62 GLU N N 15 112.6220 0.0000 . 1 . . . . . 62 GLU N . 27734 1 500 . 1 1 63 63 GLY H H 1 7.7290 0.0000 . 1 . . . . . 63 GLY H . 27734 1 501 . 1 1 63 63 GLY HA2 H 1 4.0000 0.0000 . 1 . . . . . 63 GLY HA2 . 27734 1 502 . 1 1 63 63 GLY HA3 H 1 3.8000 0.0000 . 1 . . . . . 63 GLY HA3 . 27734 1 503 . 1 1 63 63 GLY C C 13 175.0230 0.0000 . 1 . . . . . 63 GLY C . 27734 1 504 . 1 1 63 63 GLY CA C 13 46.4000 0.0000 . 1 . . . . . 63 GLY CA . 27734 1 505 . 1 1 63 63 GLY N N 15 107.2200 0.0000 . 1 . . . . . 63 GLY N . 27734 1 506 . 1 1 64 64 VAL H H 1 9.2680 0.0000 . 1 . . . . . 64 VAL H . 27734 1 507 . 1 1 64 64 VAL C C 13 176.3090 0.0000 . 1 . . . . . 64 VAL C . 27734 1 508 . 1 1 64 64 VAL CA C 13 66.4090 0.0000 . 1 . . . . . 64 VAL CA . 27734 1 509 . 1 1 64 64 VAL CB C 13 30.7000 0.0000 . 1 . . . . . 64 VAL CB . 27734 1 510 . 1 1 64 64 VAL N N 15 121.3600 0.0000 . 1 . . . . . 64 VAL N . 27734 1 511 . 1 1 65 65 THR H H 1 6.7730 0.0000 . 1 . . . . . 65 THR H . 27734 1 512 . 1 1 65 65 THR HA H 1 4.1600 0.0000 . 1 . . . . . 65 THR HA . 27734 1 513 . 1 1 65 65 THR HB H 1 4.4800 0.0000 . 1 . . . . . 65 THR HB . 27734 1 514 . 1 1 65 65 THR HG21 H 1 1.1960 0.0000 . 1 . . . . . 65 THR HG21 . 27734 1 515 . 1 1 65 65 THR HG22 H 1 1.1960 0.0000 . 1 . . . . . 65 THR HG21 . 27734 1 516 . 1 1 65 65 THR HG23 H 1 1.1960 0.0000 . 1 . . . . . 65 THR HG21 . 27734 1 517 . 1 1 65 65 THR C C 13 174.1970 0.0000 . 1 . . . . . 65 THR C . 27734 1 518 . 1 1 65 65 THR CA C 13 63.0390 0.0000 . 1 . . . . . 65 THR CA . 27734 1 519 . 1 1 65 65 THR CB C 13 68.6250 0.0000 . 1 . . . . . 65 THR CB . 27734 1 520 . 1 1 65 65 THR CG2 C 13 22.0700 0.0000 . 1 . . . . . 65 THR CG2 . 27734 1 521 . 1 1 65 65 THR N N 15 102.7160 0.0000 . 1 . . . . . 65 THR N . 27734 1 522 . 1 1 66 66 GLN H H 1 7.2210 0.0000 . 1 . . . . . 66 GLN H . 27734 1 523 . 1 1 66 66 GLN HA H 1 4.4200 0.0000 . 1 . . . . . 66 GLN HA . 27734 1 524 . 1 1 66 66 GLN HB2 H 1 2.4700 0.0000 . 1 . . . . . 66 GLN HB2 . 27734 1 525 . 1 1 66 66 GLN HB3 H 1 2.1100 0.0000 . 1 . . . . . 66 GLN HB3 . 27734 1 526 . 1 1 66 66 GLN HG2 H 1 2.4280 0.0000 . 1 . . . . . 66 GLN HG2 . 27734 1 527 . 1 1 66 66 GLN HG3 H 1 2.2600 0.0000 . 1 . . . . . 66 GLN HG3 . 27734 1 528 . 1 1 66 66 GLN C C 13 174.9240 0.0000 . 1 . . . . . 66 GLN C . 27734 1 529 . 1 1 66 66 GLN CA C 13 55.7300 0.0000 . 1 . . . . . 66 GLN CA . 27734 1 530 . 1 1 66 66 GLN CB C 13 29.3000 0.0000 . 1 . . . . . 66 GLN CB . 27734 1 531 . 1 1 66 66 GLN CG C 13 34.5600 0.0000 . 1 . . . . . 66 GLN CG . 27734 1 532 . 1 1 66 66 GLN N N 15 116.7730 0.0000 . 1 . . . . . 66 GLN N . 27734 1 533 . 1 1 67 67 LEU H H 1 7.6200 0.0000 . 1 . . . . . 67 LEU H . 27734 1 534 . 1 1 67 67 LEU HA H 1 4.9290 0.0000 . 1 . . . . . 67 LEU HA . 27734 1 535 . 1 1 67 67 LEU HB3 H 1 1.8900 0.0000 . 1 . . . . . 67 LEU HB3 . 27734 1 536 . 1 1 67 67 LEU C C 13 173.4340 0.0000 . 1 . . . . . 67 LEU C . 27734 1 537 . 1 1 67 67 LEU CA C 13 53.2380 0.0000 . 1 . . . . . 67 LEU CA . 27734 1 538 . 1 1 67 67 LEU CB C 13 43.1080 0.0000 . 1 . . . . . 67 LEU CB . 27734 1 539 . 1 1 67 67 LEU N N 15 122.6690 0.0000 . 1 . . . . . 67 LEU N . 27734 1 540 . 1 1 68 68 SER H H 1 8.5100 0.0000 . 1 . . . . . 68 SER H . 27734 1 541 . 1 1 68 68 SER HA H 1 4.9050 0.0000 . 1 . . . . . 68 SER HA . 27734 1 542 . 1 1 68 68 SER C C 13 176.5480 0.0000 . 1 . . . . . 68 SER C . 27734 1 543 . 1 1 68 68 SER CA C 13 54.8340 0.0000 . 1 . . . . . 68 SER CA . 27734 1 544 . 1 1 68 68 SER CB C 13 65.5370 0.0000 . 1 . . . . . 68 SER CB . 27734 1 545 . 1 1 68 68 SER N N 15 109.8190 0.0000 . 1 . . . . . 68 SER N . 27734 1 546 . 1 1 69 69 VAL H H 1 7.4490 0.0000 . 1 . . . . . 69 VAL H . 27734 1 547 . 1 1 69 69 VAL HA H 1 3.0230 0.0000 . 1 . . . . . 69 VAL HA . 27734 1 548 . 1 1 69 69 VAL HB H 1 2.1310 0.0000 . 1 . . . . . 69 VAL HB . 27734 1 549 . 1 1 69 69 VAL HG21 H 1 0.8700 0.0000 . 1 . . . . . 69 VAL HG21 . 27734 1 550 . 1 1 69 69 VAL HG22 H 1 0.8700 0.0000 . 1 . . . . . 69 VAL HG21 . 27734 1 551 . 1 1 69 69 VAL HG23 H 1 0.8700 0.0000 . 1 . . . . . 69 VAL HG21 . 27734 1 552 . 1 1 69 69 VAL C C 13 176.9200 0.0000 . 1 . . . . . 69 VAL C . 27734 1 553 . 1 1 69 69 VAL CA C 13 67.6000 0.0000 . 1 . . . . . 69 VAL CA . 27734 1 554 . 1 1 69 69 VAL CB C 13 30.8620 0.0000 . 1 . . . . . 69 VAL CB . 27734 1 555 . 1 1 69 69 VAL CG2 C 13 21.0200 0.0000 . 1 . . . . . 69 VAL CG2 . 27734 1 556 . 1 1 69 69 VAL N N 15 119.3820 0.0000 . 1 . . . . . 69 VAL N . 27734 1 557 . 1 1 70 70 GLY H H 1 8.8590 0.0000 . 1 . . . . . 70 GLY H . 27734 1 558 . 1 1 70 70 GLY HA2 H 1 4.4100 0.0000 . 1 . . . . . 70 GLY HA2 . 27734 1 559 . 1 1 70 70 GLY HA3 H 1 3.8300 0.0000 . 1 . . . . . 70 GLY HA3 . 27734 1 560 . 1 1 70 70 GLY C C 13 174.0160 0.0000 . 1 . . . . . 70 GLY C . 27734 1 561 . 1 1 70 70 GLY CA C 13 44.5160 0.0000 . 1 . . . . . 70 GLY CA . 27734 1 562 . 1 1 70 70 GLY N N 15 117.1670 0.0000 . 1 . . . . . 70 GLY N . 27734 1 563 . 1 1 71 71 GLU H H 1 8.7340 0.0000 . 1 . . . . . 71 GLU H . 27734 1 564 . 1 1 71 71 GLU HA H 1 3.8070 0.0000 . 1 . . . . . 71 GLU HA . 27734 1 565 . 1 1 71 71 GLU HB3 H 1 2.1800 0.0000 . 1 . . . . . 71 GLU HB3 . 27734 1 566 . 1 1 71 71 GLU HG3 H 1 3.0500 0.0000 . 1 . . . . . 71 GLU HG3 . 27734 1 567 . 1 1 71 71 GLU C C 13 174.7260 0.0000 . 1 . . . . . 71 GLU C . 27734 1 568 . 1 1 71 71 GLU CA C 13 57.4000 0.0000 . 1 . . . . . 71 GLU CA . 27734 1 569 . 1 1 71 71 GLU CB C 13 31.7000 0.0000 . 1 . . . . . 71 GLU CB . 27734 1 570 . 1 1 71 71 GLU CG C 13 35.9900 0.0000 . 1 . . . . . 71 GLU CG . 27734 1 571 . 1 1 71 71 GLU N N 15 124.0210 0.0000 . 1 . . . . . 71 GLU N . 27734 1 572 . 1 1 72 72 LYS H H 1 8.1150 0.0000 . 1 . . . . . 72 LYS H . 27734 1 573 . 1 1 72 72 LYS HA H 1 5.6700 0.0000 . 1 . . . . . 72 LYS HA . 27734 1 574 . 1 1 72 72 LYS HB3 H 1 1.6700 0.0000 . 1 . . . . . 72 LYS HB3 . 27734 1 575 . 1 1 72 72 LYS C C 13 175.4650 0.0000 . 1 . . . . . 72 LYS C . 27734 1 576 . 1 1 72 72 LYS CA C 13 54.3000 0.0000 . 1 . . . . . 72 LYS CA . 27734 1 577 . 1 1 72 72 LYS CB C 13 35.5000 0.0000 . 1 . . . . . 72 LYS CB . 27734 1 578 . 1 1 72 72 LYS CE C 13 42.8400 0.0000 . 1 . . . . . 72 LYS CE . 27734 1 579 . 1 1 72 72 LYS N N 15 121.9920 0.0000 . 1 . . . . . 72 LYS N . 27734 1 580 . 1 1 73 73 ALA H H 1 9.3310 0.0000 . 1 . . . . . 73 ALA H . 27734 1 581 . 1 1 73 73 ALA HA H 1 4.9140 0.0000 . 1 . . . . . 73 ALA HA . 27734 1 582 . 1 1 73 73 ALA HB1 H 1 1.3220 0.0000 . 1 . . . . . 73 ALA HB1 . 27734 1 583 . 1 1 73 73 ALA HB2 H 1 1.3220 0.0000 . 1 . . . . . 73 ALA HB1 . 27734 1 584 . 1 1 73 73 ALA HB3 H 1 1.3220 0.0000 . 1 . . . . . 73 ALA HB1 . 27734 1 585 . 1 1 73 73 ALA C C 13 174.2970 0.0000 . 1 . . . . . 73 ALA C . 27734 1 586 . 1 1 73 73 ALA CA C 13 51.1300 0.0000 . 1 . . . . . 73 ALA CA . 27734 1 587 . 1 1 73 73 ALA CB C 13 24.5280 0.0000 . 1 . . . . . 73 ALA CB . 27734 1 588 . 1 1 73 73 ALA N N 15 127.5500 0.0000 . 1 . . . . . 73 ALA N . 27734 1 589 . 1 1 74 74 ARG H H 1 9.4670 0.0000 . 1 . . . . . 74 ARG H . 27734 1 590 . 1 1 74 74 ARG HA H 1 5.5600 0.0000 . 1 . . . . . 74 ARG HA . 27734 1 591 . 1 1 74 74 ARG HB3 H 1 1.8200 0.0000 . 1 . . . . . 74 ARG HB3 . 27734 1 592 . 1 1 74 74 ARG C C 13 174.8380 0.0000 . 1 . . . . . 74 ARG C . 27734 1 593 . 1 1 74 74 ARG CA C 13 54.4430 0.0000 . 1 . . . . . 74 ARG CA . 27734 1 594 . 1 1 74 74 ARG CB C 13 32.9640 0.0000 . 1 . . . . . 74 ARG CB . 27734 1 595 . 1 1 74 74 ARG N N 15 120.7740 0.0000 . 1 . . . . . 74 ARG N . 27734 1 596 . 1 1 75 75 LEU H H 1 9.6430 0.0000 . 1 . . . . . 75 LEU H . 27734 1 597 . 1 1 75 75 LEU HA H 1 5.2800 0.0000 . 1 . . . . . 75 LEU HA . 27734 1 598 . 1 1 75 75 LEU HB3 H 1 1.8700 0.0000 . 1 . . . . . 75 LEU HB3 . 27734 1 599 . 1 1 75 75 LEU C C 13 175.9440 0.0000 . 1 . . . . . 75 LEU C . 27734 1 600 . 1 1 75 75 LEU CA C 13 53.2000 0.0000 . 1 . . . . . 75 LEU CA . 27734 1 601 . 1 1 75 75 LEU CB C 13 43.6680 0.0000 . 1 . . . . . 75 LEU CB . 27734 1 602 . 1 1 75 75 LEU N N 15 125.1490 0.0000 . 1 . . . . . 75 LEU N . 27734 1 603 . 1 1 76 76 ILE H H 1 9.1760 0.0000 . 1 . . . . . 76 ILE H . 27734 1 604 . 1 1 76 76 ILE HA H 1 4.9800 0.0000 . 1 . . . . . 76 ILE HA . 27734 1 605 . 1 1 76 76 ILE HB H 1 1.8600 0.0000 . 1 . . . . . 76 ILE HB . 27734 1 606 . 1 1 76 76 ILE HG13 H 1 1.4800 0.0000 . 1 . . . . . 76 ILE HG13 . 27734 1 607 . 1 1 76 76 ILE HG21 H 1 0.7800 0.0000 . 1 . . . . . 76 ILE HG21 . 27734 1 608 . 1 1 76 76 ILE HG22 H 1 0.7800 0.0000 . 1 . . . . . 76 ILE HG21 . 27734 1 609 . 1 1 76 76 ILE HG23 H 1 0.7800 0.0000 . 1 . . . . . 76 ILE HG21 . 27734 1 610 . 1 1 76 76 ILE C C 13 177.2460 0.0000 . 1 . . . . . 76 ILE C . 27734 1 611 . 1 1 76 76 ILE CA C 13 61.4000 0.0000 . 1 . . . . . 76 ILE CA . 27734 1 612 . 1 1 76 76 ILE CB C 13 38.9130 0.0000 . 1 . . . . . 76 ILE CB . 27734 1 613 . 1 1 76 76 ILE CG1 C 13 27.3400 0.0000 . 1 . . . . . 76 ILE CG1 . 27734 1 614 . 1 1 76 76 ILE CG2 C 13 17.8400 0.0000 . 1 . . . . . 76 ILE CG2 . 27734 1 615 . 1 1 76 76 ILE N N 15 126.3100 0.0000 . 1 . . . . . 76 ILE N . 27734 1 616 . 1 1 77 77 CYS H H 1 9.4890 0.0000 . 1 . . . . . 77 CYS H . 27734 1 617 . 1 1 77 77 CYS HA H 1 5.4700 0.0000 . 1 . . . . . 77 CYS HA . 27734 1 618 . 1 1 77 77 CYS HB2 H 1 3.2100 0.0000 . 1 . . . . . 77 CYS HB2 . 27734 1 619 . 1 1 77 77 CYS HB3 H 1 2.8100 0.0000 . 1 . . . . . 77 CYS HB3 . 27734 1 620 . 1 1 77 77 CYS C C 13 174.3690 0.0000 . 1 . . . . . 77 CYS C . 27734 1 621 . 1 1 77 77 CYS CA C 13 56.7070 0.0000 . 1 . . . . . 77 CYS CA . 27734 1 622 . 1 1 77 77 CYS CB C 13 30.4870 0.0000 . 1 . . . . . 77 CYS CB . 27734 1 623 . 1 1 77 77 CYS N N 15 125.9510 0.0000 . 1 . . . . . 77 CYS N . 27734 1 624 . 1 1 78 78 THR H H 1 8.6890 0.0000 . 1 . . . . . 78 THR H . 27734 1 625 . 1 1 78 78 THR HA H 1 4.6000 0.0000 . 1 . . . . . 78 THR HA . 27734 1 626 . 1 1 78 78 THR C C 13 177.2780 0.0000 . 1 . . . . . 78 THR C . 27734 1 627 . 1 1 78 78 THR CA C 13 62.5600 0.0000 . 1 . . . . . 78 THR CA . 27734 1 628 . 1 1 78 78 THR CB C 13 70.1160 0.0000 . 1 . . . . . 78 THR CB . 27734 1 629 . 1 1 78 78 THR N N 15 114.5890 0.0000 . 1 . . . . . 78 THR N . 27734 1 630 . 1 1 79 79 HIS H H 1 8.8080 0.0000 . 1 . . . . . 79 HIS H . 27734 1 631 . 1 1 79 79 HIS C C 13 178.4500 0.0000 . 1 . . . . . 79 HIS C . 27734 1 632 . 1 1 79 79 HIS CA C 13 60.4600 0.0000 . 1 . . . . . 79 HIS CA . 27734 1 633 . 1 1 79 79 HIS N N 15 118.9310 0.0000 . 1 . . . . . 79 HIS N . 27734 1 634 . 1 1 80 80 ASP H H 1 8.6190 0.0000 . 1 . . . . . 80 ASP H . 27734 1 635 . 1 1 80 80 ASP HA H 1 4.3570 0.0000 . 1 . . . . . 80 ASP HA . 27734 1 636 . 1 1 80 80 ASP HB3 H 1 2.3900 0.0000 . 1 . . . . . 80 ASP HB3 . 27734 1 637 . 1 1 80 80 ASP C C 13 176.2850 0.0000 . 1 . . . . . 80 ASP C . 27734 1 638 . 1 1 80 80 ASP CA C 13 55.2000 0.0000 . 1 . . . . . 80 ASP CA . 27734 1 639 . 1 1 80 80 ASP CB C 13 38.8000 0.0000 . 1 . . . . . 80 ASP CB . 27734 1 640 . 1 1 80 80 ASP N N 15 121.0100 0.0000 . 1 . . . . . 80 ASP N . 27734 1 641 . 1 1 81 81 TYR H H 1 8.2490 0.0000 . 1 . . . . . 81 TYR H . 27734 1 642 . 1 1 81 81 TYR HA H 1 4.3920 0.0000 . 1 . . . . . 81 TYR HA . 27734 1 643 . 1 1 81 81 TYR HB3 H 1 2.9200 0.0000 . 1 . . . . . 81 TYR HB3 . 27734 1 644 . 1 1 81 81 TYR C C 13 174.0940 0.0000 . 1 . . . . . 81 TYR C . 27734 1 645 . 1 1 81 81 TYR CA C 13 57.7000 0.0000 . 1 . . . . . 81 TYR CA . 27734 1 646 . 1 1 81 81 TYR CB C 13 38.5500 0.0000 . 1 . . . . . 81 TYR CB . 27734 1 647 . 1 1 81 81 TYR N N 15 121.5390 0.0000 . 1 . . . . . 81 TYR N . 27734 1 648 . 1 1 82 82 ALA H H 1 7.8920 0.0000 . 1 . . . . . 82 ALA H . 27734 1 649 . 1 1 82 82 ALA HA H 1 4.3900 0.0000 . 1 . . . . . 82 ALA HA . 27734 1 650 . 1 1 82 82 ALA HB1 H 1 1.4100 0.0000 . 1 . . . . . 82 ALA HB1 . 27734 1 651 . 1 1 82 82 ALA HB2 H 1 1.4100 0.0000 . 1 . . . . . 82 ALA HB1 . 27734 1 652 . 1 1 82 82 ALA HB3 H 1 1.4100 0.0000 . 1 . . . . . 82 ALA HB1 . 27734 1 653 . 1 1 82 82 ALA C C 13 176.0400 0.0000 . 1 . . . . . 82 ALA C . 27734 1 654 . 1 1 82 82 ALA CA C 13 52.3000 0.0000 . 1 . . . . . 82 ALA CA . 27734 1 655 . 1 1 82 82 ALA CB C 13 18.9020 0.0000 . 1 . . . . . 82 ALA CB . 27734 1 656 . 1 1 82 82 ALA N N 15 125.2990 0.0000 . 1 . . . . . 82 ALA N . 27734 1 657 . 1 1 83 83 TYR HA H 1 4.6300 0.0000 . 1 . . . . . 83 TYR HA . 27734 1 658 . 1 1 83 83 TYR HB2 H 1 3.3200 0.0000 . 1 . . . . . 83 TYR HB2 . 27734 1 659 . 1 1 83 83 TYR HB3 H 1 2.7500 0.0000 . 1 . . . . . 83 TYR HB3 . 27734 1 660 . 1 1 83 83 TYR C C 13 176.5900 0.0000 . 1 . . . . . 83 TYR C . 27734 1 661 . 1 1 83 83 TYR CA C 13 59.2500 0.0000 . 1 . . . . . 83 TYR CA . 27734 1 662 . 1 1 83 83 TYR CB C 13 37.9700 0.0000 . 1 . . . . . 83 TYR CB . 27734 1 663 . 1 1 84 84 GLY H H 1 8.7600 0.0000 . 1 . . . . . 84 GLY H . 27734 1 664 . 1 1 84 84 GLY CA C 13 46.7800 0.0000 . 1 . . . . . 84 GLY CA . 27734 1 665 . 1 1 84 84 GLY N N 15 108.2400 0.0000 . 1 . . . . . 84 GLY N . 27734 1 666 . 1 1 85 85 GLU HA H 1 3.7700 0.0000 . 1 . . . . . 85 GLU HA . 27734 1 667 . 1 1 85 85 GLU HB3 H 1 2.0900 0.0000 . 1 . . . . . 85 GLU HB3 . 27734 1 668 . 1 1 85 85 GLU HG3 H 1 2.3600 0.0000 . 1 . . . . . 85 GLU HG3 . 27734 1 669 . 1 1 85 85 GLU C C 13 177.2000 0.0000 . 1 . . . . . 85 GLU C . 27734 1 670 . 1 1 85 85 GLU CA C 13 58.8100 0.0000 . 1 . . . . . 85 GLU CA . 27734 1 671 . 1 1 85 85 GLU CB C 13 29.3700 0.0000 . 1 . . . . . 85 GLU CB . 27734 1 672 . 1 1 85 85 GLU CG C 13 36.6800 0.0000 . 1 . . . . . 85 GLU CG . 27734 1 673 . 1 1 86 86 ARG H H 1 8.5100 0.0000 . 1 . . . . . 86 ARG H . 27734 1 674 . 1 1 86 86 ARG HA H 1 4.1600 0.0000 . 1 . . . . . 86 ARG HA . 27734 1 675 . 1 1 86 86 ARG CA C 13 57.5400 0.0000 . 1 . . . . . 86 ARG CA . 27734 1 676 . 1 1 86 86 ARG N N 15 116.6300 0.0000 . 1 . . . . . 86 ARG N . 27734 1 677 . 1 1 87 87 GLY H H 1 7.3600 0.0000 . 1 . . . . . 87 GLY H . 27734 1 678 . 1 1 87 87 GLY HA2 H 1 3.7000 0.0000 . 1 . . . . . 87 GLY HA2 . 27734 1 679 . 1 1 87 87 GLY C C 13 171.6400 0.0000 . 1 . . . . . 87 GLY C . 27734 1 680 . 1 1 87 87 GLY CA C 13 44.8000 0.0000 . 1 . . . . . 87 GLY CA . 27734 1 681 . 1 1 87 87 GLY N N 15 104.4700 0.0000 . 1 . . . . . 87 GLY N . 27734 1 682 . 1 1 88 88 TYR H H 1 8.8100 0.0000 . 1 . . . . . 88 TYR H . 27734 1 683 . 1 1 88 88 TYR HA H 1 4.8500 0.0000 . 1 . . . . . 88 TYR HA . 27734 1 684 . 1 1 88 88 TYR C C 13 172.9900 0.0000 . 1 . . . . . 88 TYR C . 27734 1 685 . 1 1 88 88 TYR CA C 13 54.9000 0.0000 . 1 . . . . . 88 TYR CA . 27734 1 686 . 1 1 88 88 TYR N N 15 123.2000 0.0000 . 1 . . . . . 88 TYR N . 27734 1 687 . 1 1 90 90 GLY HA2 H 1 4.2600 0.0000 . 1 . . . . . 90 GLY HA2 . 27734 1 688 . 1 1 90 90 GLY HA3 H 1 3.7100 0.0000 . 1 . . . . . 90 GLY HA3 . 27734 1 689 . 1 1 90 90 GLY C C 13 173.6600 0.0000 . 1 . . . . . 90 GLY C . 27734 1 690 . 1 1 90 90 GLY CA C 13 45.4700 0.0000 . 1 . . . . . 90 GLY CA . 27734 1 691 . 1 1 91 91 LEU H H 1 8.2980 0.0000 . 1 . . . . . 91 LEU H . 27734 1 692 . 1 1 91 91 LEU HA H 1 4.6700 0.0000 . 1 . . . . . 91 LEU HA . 27734 1 693 . 1 1 91 91 LEU HB3 H 1 1.4400 0.0000 . 1 . . . . . 91 LEU HB3 . 27734 1 694 . 1 1 91 91 LEU C C 13 175.0000 0.0000 . 1 . . . . . 91 LEU C . 27734 1 695 . 1 1 91 91 LEU CA C 13 56.6400 0.0000 . 1 . . . . . 91 LEU CA . 27734 1 696 . 1 1 91 91 LEU CB C 13 47.6500 0.0000 . 1 . . . . . 91 LEU CB . 27734 1 697 . 1 1 91 91 LEU N N 15 120.8900 0.0000 . 1 . . . . . 91 LEU N . 27734 1 698 . 1 1 92 92 ILE H H 1 8.4900 0.0000 . 1 . . . . . 92 ILE H . 27734 1 699 . 1 1 92 92 ILE CA C 13 55.1700 0.0000 . 1 . . . . . 92 ILE CA . 27734 1 700 . 1 1 92 92 ILE N N 15 117.9900 0.0000 . 1 . . . . . 92 ILE N . 27734 1 701 . 1 1 94 94 PRO HA H 1 3.7600 0.0000 . 1 . . . . . 94 PRO HA . 27734 1 702 . 1 1 94 94 PRO C C 13 176.1160 0.0000 . 1 . . . . . 94 PRO C . 27734 1 703 . 1 1 94 94 PRO CA C 13 63.8000 0.0000 . 1 . . . . . 94 PRO CA . 27734 1 704 . 1 1 94 94 PRO CB C 13 33.0900 0.0000 . 1 . . . . . 94 PRO CB . 27734 1 705 . 1 1 95 95 LYS H H 1 7.7700 0.0000 . 1 . . . . . 95 LYS H . 27734 1 706 . 1 1 95 95 LYS HA H 1 2.9240 0.0000 . 1 . . . . . 95 LYS HA . 27734 1 707 . 1 1 95 95 LYS HB3 H 1 1.6500 0.0000 . 1 . . . . . 95 LYS HB3 . 27734 1 708 . 1 1 95 95 LYS HD2 H 1 1.0800 0.0000 . 1 . . . . . 95 LYS HD2 . 27734 1 709 . 1 1 95 95 LYS HE3 H 1 1.9800 0.0000 . 1 . . . . . 95 LYS HE3 . 27734 1 710 . 1 1 95 95 LYS C C 13 174.5660 0.0000 . 1 . . . . . 95 LYS C . 27734 1 711 . 1 1 95 95 LYS CA C 13 57.8000 0.0000 . 1 . . . . . 95 LYS CA . 27734 1 712 . 1 1 95 95 LYS CB C 13 29.6600 0.0000 . 1 . . . . . 95 LYS CB . 27734 1 713 . 1 1 95 95 LYS CD C 13 26.2000 0.0000 . 1 . . . . . 95 LYS CD . 27734 1 714 . 1 1 95 95 LYS CE C 13 40.4700 0.0000 . 1 . . . . . 95 LYS CE . 27734 1 715 . 1 1 95 95 LYS N N 15 115.7880 0.0000 . 1 . . . . . 95 LYS N . 27734 1 716 . 1 1 96 96 ALA H H 1 7.5880 0.0000 . 1 . . . . . 96 ALA H . 27734 1 717 . 1 1 96 96 ALA HA H 1 4.3500 0.0000 . 1 . . . . . 96 ALA HA . 27734 1 718 . 1 1 96 96 ALA HB1 H 1 1.2500 0.0000 . 1 . . . . . 96 ALA HB1 . 27734 1 719 . 1 1 96 96 ALA HB2 H 1 1.2500 0.0000 . 1 . . . . . 96 ALA HB1 . 27734 1 720 . 1 1 96 96 ALA HB3 H 1 1.2500 0.0000 . 1 . . . . . 96 ALA HB1 . 27734 1 721 . 1 1 96 96 ALA C C 13 177.2360 0.0000 . 1 . . . . . 96 ALA C . 27734 1 722 . 1 1 96 96 ALA CA C 13 52.9000 0.0000 . 1 . . . . . 96 ALA CA . 27734 1 723 . 1 1 96 96 ALA CB C 13 20.7000 0.0000 . 1 . . . . . 96 ALA CB . 27734 1 724 . 1 1 96 96 ALA N N 15 123.0470 0.0000 . 1 . . . . . 96 ALA N . 27734 1 725 . 1 1 97 97 THR H H 1 8.4310 0.0000 . 1 . . . . . 97 THR H . 27734 1 726 . 1 1 97 97 THR HA H 1 4.8300 0.0000 . 1 . . . . . 97 THR HA . 27734 1 727 . 1 1 97 97 THR HB H 1 3.9700 0.0000 . 1 . . . . . 97 THR HB . 27734 1 728 . 1 1 97 97 THR C C 13 173.8910 0.0000 . 1 . . . . . 97 THR C . 27734 1 729 . 1 1 97 97 THR CA C 13 62.2000 0.0000 . 1 . . . . . 97 THR CA . 27734 1 730 . 1 1 97 97 THR CB C 13 69.5000 0.0000 . 1 . . . . . 97 THR CB . 27734 1 731 . 1 1 97 97 THR N N 15 120.4990 0.0000 . 1 . . . . . 97 THR N . 27734 1 732 . 1 1 98 98 LEU H H 1 8.9080 0.0000 . 1 . . . . . 98 LEU H . 27734 1 733 . 1 1 98 98 LEU HA H 1 4.8100 0.0000 . 1 . . . . . 98 LEU HA . 27734 1 734 . 1 1 98 98 LEU C C 13 174.4620 0.0000 . 1 . . . . . 98 LEU C . 27734 1 735 . 1 1 98 98 LEU CA C 13 53.1360 0.0000 . 1 . . . . . 98 LEU CA . 27734 1 736 . 1 1 98 98 LEU CB C 13 45.7460 0.0000 . 1 . . . . . 98 LEU CB . 27734 1 737 . 1 1 98 98 LEU N N 15 125.2560 0.0000 . 1 . . . . . 98 LEU N . 27734 1 738 . 1 1 99 99 ASN H H 1 8.5850 0.0000 . 1 . . . . . 99 ASN H . 27734 1 739 . 1 1 99 99 ASN HA H 1 5.4500 0.0000 . 1 . . . . . 99 ASN HA . 27734 1 740 . 1 1 99 99 ASN HB2 H 1 2.9200 0.0000 . 1 . . . . . 99 ASN HB2 . 27734 1 741 . 1 1 99 99 ASN HB3 H 1 2.5500 0.0000 . 1 . . . . . 99 ASN HB3 . 27734 1 742 . 1 1 99 99 ASN C C 13 174.7260 0.0000 . 1 . . . . . 99 ASN C . 27734 1 743 . 1 1 99 99 ASN CA C 13 51.7000 0.0000 . 1 . . . . . 99 ASN CA . 27734 1 744 . 1 1 99 99 ASN CB C 13 40.8450 0.0000 . 1 . . . . . 99 ASN CB . 27734 1 745 . 1 1 99 99 ASN N N 15 119.7450 0.0000 . 1 . . . . . 99 ASN N . 27734 1 746 . 1 1 100 100 PHE H H 1 9.4540 0.0000 . 1 . . . . . 100 PHE H . 27734 1 747 . 1 1 100 100 PHE HA H 1 5.8700 0.0000 . 1 . . . . . 100 PHE HA . 27734 1 748 . 1 1 100 100 PHE HB2 H 1 3.1300 0.0000 . 1 . . . . . 100 PHE HB2 . 27734 1 749 . 1 1 100 100 PHE HB3 H 1 2.8600 0.0000 . 1 . . . . . 100 PHE HB3 . 27734 1 750 . 1 1 100 100 PHE C C 13 175.2800 0.0000 . 1 . . . . . 100 PHE C . 27734 1 751 . 1 1 100 100 PHE CA C 13 55.9000 0.0000 . 1 . . . . . 100 PHE CA . 27734 1 752 . 1 1 100 100 PHE CB C 13 42.5000 0.0000 . 1 . . . . . 100 PHE CB . 27734 1 753 . 1 1 100 100 PHE N N 15 118.7170 0.0000 . 1 . . . . . 100 PHE N . 27734 1 754 . 1 1 101 101 GLU H H 1 9.1130 0.0000 . 1 . . . . . 101 GLU H . 27734 1 755 . 1 1 101 101 GLU HA H 1 5.0100 0.0000 . 1 . . . . . 101 GLU HA . 27734 1 756 . 1 1 101 101 GLU HB3 H 1 2.1100 0.0000 . 1 . . . . . 101 GLU HB3 . 27734 1 757 . 1 1 101 101 GLU HG2 H 1 2.2000 0.0000 . 1 . . . . . 101 GLU HG2 . 27734 1 758 . 1 1 101 101 GLU HG3 H 1 1.9100 0.0000 . 1 . . . . . 101 GLU HG3 . 27734 1 759 . 1 1 101 101 GLU C C 13 176.6470 0.0000 . 1 . . . . . 101 GLU C . 27734 1 760 . 1 1 101 101 GLU CA C 13 56.3000 0.0000 . 1 . . . . . 101 GLU CA . 27734 1 761 . 1 1 101 101 GLU CB C 13 30.7160 0.0000 . 1 . . . . . 101 GLU CB . 27734 1 762 . 1 1 101 101 GLU CG C 13 37.3240 0.0000 . 1 . . . . . 101 GLU CG . 27734 1 763 . 1 1 101 101 GLU N N 15 125.6470 0.0000 . 1 . . . . . 101 GLU N . 27734 1 764 . 1 1 102 102 VAL H H 1 9.6500 0.0000 . 1 . . . . . 102 VAL H . 27734 1 765 . 1 1 102 102 VAL HA H 1 5.2000 0.0000 . 1 . . . . . 102 VAL HA . 27734 1 766 . 1 1 102 102 VAL HB H 1 1.7600 0.0000 . 1 . . . . . 102 VAL HB . 27734 1 767 . 1 1 102 102 VAL HG11 H 1 0.5900 0.0000 . 1 . . . . . 102 VAL HG11 . 27734 1 768 . 1 1 102 102 VAL HG12 H 1 0.5900 0.0000 . 1 . . . . . 102 VAL HG11 . 27734 1 769 . 1 1 102 102 VAL HG13 H 1 0.5900 0.0000 . 1 . . . . . 102 VAL HG11 . 27734 1 770 . 1 1 102 102 VAL HG21 H 1 1.3600 0.0000 . 1 . . . . . 102 VAL HG21 . 27734 1 771 . 1 1 102 102 VAL HG22 H 1 1.3600 0.0000 . 1 . . . . . 102 VAL HG21 . 27734 1 772 . 1 1 102 102 VAL HG23 H 1 1.3600 0.0000 . 1 . . . . . 102 VAL HG21 . 27734 1 773 . 1 1 102 102 VAL C C 13 173.0100 0.0000 . 1 . . . . . 102 VAL C . 27734 1 774 . 1 1 102 102 VAL CA C 13 60.6000 0.0000 . 1 . . . . . 102 VAL CA . 27734 1 775 . 1 1 102 102 VAL CB C 13 35.2560 0.0000 . 1 . . . . . 102 VAL CB . 27734 1 776 . 1 1 102 102 VAL CG1 C 13 21.2400 0.0000 . 1 . . . . . 102 VAL CG1 . 27734 1 777 . 1 1 102 102 VAL CG2 C 13 24.2700 0.0000 . 1 . . . . . 102 VAL CG2 . 27734 1 778 . 1 1 102 102 VAL N N 15 127.7010 0.0000 . 1 . . . . . 102 VAL N . 27734 1 779 . 1 1 103 103 GLU H H 1 8.9000 0.0000 . 1 . . . . . 103 GLU H . 27734 1 780 . 1 1 103 103 GLU HA H 1 5.5020 0.0000 . 1 . . . . . 103 GLU HA . 27734 1 781 . 1 1 103 103 GLU HB3 H 1 1.8600 0.0000 . 1 . . . . . 103 GLU HB3 . 27734 1 782 . 1 1 103 103 GLU C C 13 175.6770 0.0000 . 1 . . . . . 103 GLU C . 27734 1 783 . 1 1 103 103 GLU CA C 13 53.3000 0.0000 . 1 . . . . . 103 GLU CA . 27734 1 784 . 1 1 103 103 GLU CB C 13 34.0930 0.0000 . 1 . . . . . 103 GLU CB . 27734 1 785 . 1 1 103 103 GLU N N 15 125.7600 0.0000 . 1 . . . . . 103 GLU N . 27734 1 786 . 1 1 104 104 LEU H H 1 8.4270 0.0000 . 1 . . . . . 104 LEU H . 27734 1 787 . 1 1 104 104 LEU HA H 1 4.5810 0.0000 . 1 . . . . . 104 LEU HA . 27734 1 788 . 1 1 104 104 LEU C C 13 174.6550 0.0000 . 1 . . . . . 104 LEU C . 27734 1 789 . 1 1 104 104 LEU CA C 13 54.5000 0.0000 . 1 . . . . . 104 LEU CA . 27734 1 790 . 1 1 104 104 LEU CB C 13 41.3900 0.0000 . 1 . . . . . 104 LEU CB . 27734 1 791 . 1 1 104 104 LEU N N 15 128.0030 0.0000 . 1 . . . . . 104 LEU N . 27734 1 792 . 1 1 105 105 ILE H H 1 8.7060 0.0000 . 1 . . . . . 105 ILE H . 27734 1 793 . 1 1 105 105 ILE HA H 1 3.9900 0.0000 . 1 . . . . . 105 ILE HA . 27734 1 794 . 1 1 105 105 ILE HB H 1 1.4400 0.0000 . 1 . . . . . 105 ILE HB . 27734 1 795 . 1 1 105 105 ILE HG21 H 1 0.7600 0.0000 . 1 . . . . . 105 ILE HG21 . 27734 1 796 . 1 1 105 105 ILE HG22 H 1 0.7600 0.0000 . 1 . . . . . 105 ILE HG21 . 27734 1 797 . 1 1 105 105 ILE HG23 H 1 0.7600 0.0000 . 1 . . . . . 105 ILE HG21 . 27734 1 798 . 1 1 105 105 ILE C C 13 176.1810 0.0000 . 1 . . . . . 105 ILE C . 27734 1 799 . 1 1 105 105 ILE CA C 13 63.1050 0.0000 . 1 . . . . . 105 ILE CA . 27734 1 800 . 1 1 105 105 ILE CB C 13 38.6000 0.0000 . 1 . . . . . 105 ILE CB . 27734 1 801 . 1 1 105 105 ILE CG2 C 13 16.4000 0.0000 . 1 . . . . . 105 ILE CG2 . 27734 1 802 . 1 1 105 105 ILE N N 15 129.6620 0.0000 . 1 . . . . . 105 ILE N . 27734 1 803 . 1 1 106 106 LYS H H 1 7.5600 0.0000 . 1 . . . . . 106 LYS H . 27734 1 804 . 1 1 106 106 LYS HA H 1 4.4600 0.0000 . 1 . . . . . 106 LYS HA . 27734 1 805 . 1 1 106 106 LYS HB3 H 1 1.6800 0.0000 . 1 . . . . . 106 LYS HB3 . 27734 1 806 . 1 1 106 106 LYS HG3 H 1 1.3300 0.0000 . 1 . . . . . 106 LYS HG3 . 27734 1 807 . 1 1 106 106 LYS C C 13 173.2180 0.0000 . 1 . . . . . 106 LYS C . 27734 1 808 . 1 1 106 106 LYS CA C 13 56.0500 0.0000 . 1 . . . . . 106 LYS CA . 27734 1 809 . 1 1 106 106 LYS CB C 13 36.9000 0.0000 . 1 . . . . . 106 LYS CB . 27734 1 810 . 1 1 106 106 LYS CG C 13 24.3600 0.0000 . 1 . . . . . 106 LYS CG . 27734 1 811 . 1 1 106 106 LYS N N 15 115.2730 0.0000 . 1 . . . . . 106 LYS N . 27734 1 812 . 1 1 107 107 ILE H H 1 8.5560 0.0000 . 1 . . . . . 107 ILE H . 27734 1 813 . 1 1 107 107 ILE HA H 1 4.3950 0.0000 . 1 . . . . . 107 ILE HA . 27734 1 814 . 1 1 107 107 ILE HB H 1 1.4800 0.0000 . 1 . . . . . 107 ILE HB . 27734 1 815 . 1 1 107 107 ILE HG21 H 1 0.9100 0.0000 . 1 . . . . . 107 ILE HG21 . 27734 1 816 . 1 1 107 107 ILE HG22 H 1 0.9100 0.0000 . 1 . . . . . 107 ILE HG21 . 27734 1 817 . 1 1 107 107 ILE HG23 H 1 0.9100 0.0000 . 1 . . . . . 107 ILE HG21 . 27734 1 818 . 1 1 107 107 ILE C C 13 174.3600 0.0000 . 1 . . . . . 107 ILE C . 27734 1 819 . 1 1 107 107 ILE CA C 13 60.9000 0.0000 . 1 . . . . . 107 ILE CA . 27734 1 820 . 1 1 107 107 ILE CB C 13 39.7000 0.0000 . 1 . . . . . 107 ILE CB . 27734 1 821 . 1 1 107 107 ILE CG2 C 13 17.7400 0.0000 . 1 . . . . . 107 ILE CG2 . 27734 1 822 . 1 1 107 107 ILE N N 15 124.4100 0.0000 . 1 . . . . . 107 ILE N . 27734 1 823 . 1 1 108 108 ASN H H 1 9.4210 0.0000 . 1 . . . . . 108 ASN H . 27734 1 824 . 1 1 108 108 ASN HA H 1 4.0500 0.0000 . 1 . . . . . 108 ASN HA . 27734 1 825 . 1 1 108 108 ASN HB3 H 1 2.9000 0.0000 . 1 . . . . . 108 ASN HB3 . 27734 1 826 . 1 1 108 108 ASN C C 13 179.0400 0.0000 . 1 . . . . . 108 ASN C . 27734 1 827 . 1 1 108 108 ASN CA C 13 56.2800 0.0000 . 1 . . . . . 108 ASN CA . 27734 1 828 . 1 1 108 108 ASN CB C 13 39.0000 0.0000 . 1 . . . . . 108 ASN CB . 27734 1 829 . 1 1 108 108 ASN N N 15 128.1620 0.0000 . 1 . . . . . 108 ASN N . 27734 1 stop_ save_