data_27738 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27738 _Entry.Title ; 15N, 13C and 1H backbone resonance assignments of Human FKBP12 protein ; _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. . . 27738 2 Benjamin Bobay . G. . . 27738 3 Leonard Spicer . D. . . 27738 4 Ronald Venters . A. . . 27738 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' . 27738 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27738 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 27738 '15N chemical shifts' 99 27738 '1H chemical shifts' 206 27738 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' 27738 1 . . 2019-03-08 2018-12-20 original author 'original release' 27738 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' 27738 BMRB 27733 'FKBP12 protein from Aspergillus fumigatus bound to FK506' 27738 BMRB 27734 'FKBP12 from the pathogenic fungi Mucor circinelloides' 27738 BMRB 27737 'FKBP12 protein from the pathogenic fungi Mucor circinelloides bound to FK506' 27738 BMRB 27739 'Human FKBP12 protein bound to FK506' 27738 NCBI AAP36774.1 . 27738 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27738 _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. . . 27738 1 2 Benjamin Bobay . G. . . 27738 1 3 Leonard Spicer . D. . . 27738 1 4 Ronald Venters . A. . . 27738 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Aspergillus fumigatus' 27738 1 Calcineurin 27738 1 FK506 27738 1 FKBP12 27738 1 'Mucor circinelloides' 27738 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27738 _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 . . . 27738 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ppn . . X-ray 0.92 'Structure of this protein' . 27738 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cis-trans peptidyl-prolyl isomerases' 27738 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 27738 _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 ; GVQVETISPGDGRTFPKRGQ TCVVHYTGMLEDGKKFDSSR DRNKPFKFMLGKQEVIRGWE EGVAQMSVGQRAKLTISPDY AYGATGHPGIIPPHATLVFD VELLKLE ; _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 107 _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 AAP36774.1 . FKBP12 . . . . . . . . . . . . . . 27738 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cis-trans peptidyl-prolyl isomerases' 27738 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 1 GLY . 27738 1 2 2 VAL . 27738 1 3 3 GLN . 27738 1 4 4 VAL . 27738 1 5 5 GLU . 27738 1 6 6 THR . 27738 1 7 7 ILE . 27738 1 8 8 SER . 27738 1 9 9 PRO . 27738 1 10 10 GLY . 27738 1 11 11 ASP . 27738 1 12 12 GLY . 27738 1 13 13 ARG . 27738 1 14 14 THR . 27738 1 15 15 PHE . 27738 1 16 16 PRO . 27738 1 17 17 LYS . 27738 1 18 18 ARG . 27738 1 19 19 GLY . 27738 1 20 20 GLN . 27738 1 21 21 THR . 27738 1 22 22 CYS . 27738 1 23 23 VAL . 27738 1 24 24 VAL . 27738 1 25 25 HIS . 27738 1 26 26 TYR . 27738 1 27 27 THR . 27738 1 28 28 GLY . 27738 1 29 29 MET . 27738 1 30 30 LEU . 27738 1 31 31 GLU . 27738 1 32 32 ASP . 27738 1 33 33 GLY . 27738 1 34 34 LYS . 27738 1 35 35 LYS . 27738 1 36 36 PHE . 27738 1 37 37 ASP . 27738 1 38 38 SER . 27738 1 39 39 SER . 27738 1 40 40 ARG . 27738 1 41 41 ASP . 27738 1 42 42 ARG . 27738 1 43 43 ASN . 27738 1 44 44 LYS . 27738 1 45 45 PRO . 27738 1 46 46 PHE . 27738 1 47 47 LYS . 27738 1 48 48 PHE . 27738 1 49 49 MET . 27738 1 50 50 LEU . 27738 1 51 51 GLY . 27738 1 52 52 LYS . 27738 1 53 53 GLN . 27738 1 54 54 GLU . 27738 1 55 55 VAL . 27738 1 56 56 ILE . 27738 1 57 57 ARG . 27738 1 58 58 GLY . 27738 1 59 59 TRP . 27738 1 60 60 GLU . 27738 1 61 61 GLU . 27738 1 62 62 GLY . 27738 1 63 63 VAL . 27738 1 64 64 ALA . 27738 1 65 65 GLN . 27738 1 66 66 MET . 27738 1 67 67 SER . 27738 1 68 68 VAL . 27738 1 69 69 GLY . 27738 1 70 70 GLN . 27738 1 71 71 ARG . 27738 1 72 72 ALA . 27738 1 73 73 LYS . 27738 1 74 74 LEU . 27738 1 75 75 THR . 27738 1 76 76 ILE . 27738 1 77 77 SER . 27738 1 78 78 PRO . 27738 1 79 79 ASP . 27738 1 80 80 TYR . 27738 1 81 81 ALA . 27738 1 82 82 TYR . 27738 1 83 83 GLY . 27738 1 84 84 ALA . 27738 1 85 85 THR . 27738 1 86 86 GLY . 27738 1 87 87 HIS . 27738 1 88 88 PRO . 27738 1 89 89 GLY . 27738 1 90 90 ILE . 27738 1 91 91 ILE . 27738 1 92 92 PRO . 27738 1 93 93 PRO . 27738 1 94 94 HIS . 27738 1 95 95 ALA . 27738 1 96 96 THR . 27738 1 97 97 LEU . 27738 1 98 98 VAL . 27738 1 99 99 PHE . 27738 1 100 100 ASP . 27738 1 101 101 VAL . 27738 1 102 102 GLU . 27738 1 103 103 LEU . 27738 1 104 104 LEU . 27738 1 105 105 LYS . 27738 1 106 106 LEU . 27738 1 107 107 GLU . 27738 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27738 1 . VAL 2 2 27738 1 . GLN 3 3 27738 1 . VAL 4 4 27738 1 . GLU 5 5 27738 1 . THR 6 6 27738 1 . ILE 7 7 27738 1 . SER 8 8 27738 1 . PRO 9 9 27738 1 . GLY 10 10 27738 1 . ASP 11 11 27738 1 . GLY 12 12 27738 1 . ARG 13 13 27738 1 . THR 14 14 27738 1 . PHE 15 15 27738 1 . PRO 16 16 27738 1 . LYS 17 17 27738 1 . ARG 18 18 27738 1 . GLY 19 19 27738 1 . GLN 20 20 27738 1 . THR 21 21 27738 1 . CYS 22 22 27738 1 . VAL 23 23 27738 1 . VAL 24 24 27738 1 . HIS 25 25 27738 1 . TYR 26 26 27738 1 . THR 27 27 27738 1 . GLY 28 28 27738 1 . MET 29 29 27738 1 . LEU 30 30 27738 1 . GLU 31 31 27738 1 . ASP 32 32 27738 1 . GLY 33 33 27738 1 . LYS 34 34 27738 1 . LYS 35 35 27738 1 . PHE 36 36 27738 1 . ASP 37 37 27738 1 . SER 38 38 27738 1 . SER 39 39 27738 1 . ARG 40 40 27738 1 . ASP 41 41 27738 1 . ARG 42 42 27738 1 . ASN 43 43 27738 1 . LYS 44 44 27738 1 . PRO 45 45 27738 1 . PHE 46 46 27738 1 . LYS 47 47 27738 1 . PHE 48 48 27738 1 . MET 49 49 27738 1 . LEU 50 50 27738 1 . GLY 51 51 27738 1 . LYS 52 52 27738 1 . GLN 53 53 27738 1 . GLU 54 54 27738 1 . VAL 55 55 27738 1 . ILE 56 56 27738 1 . ARG 57 57 27738 1 . GLY 58 58 27738 1 . TRP 59 59 27738 1 . GLU 60 60 27738 1 . GLU 61 61 27738 1 . GLY 62 62 27738 1 . VAL 63 63 27738 1 . ALA 64 64 27738 1 . GLN 65 65 27738 1 . MET 66 66 27738 1 . SER 67 67 27738 1 . VAL 68 68 27738 1 . GLY 69 69 27738 1 . GLN 70 70 27738 1 . ARG 71 71 27738 1 . ALA 72 72 27738 1 . LYS 73 73 27738 1 . LEU 74 74 27738 1 . THR 75 75 27738 1 . ILE 76 76 27738 1 . SER 77 77 27738 1 . PRO 78 78 27738 1 . ASP 79 79 27738 1 . TYR 80 80 27738 1 . ALA 81 81 27738 1 . TYR 82 82 27738 1 . GLY 83 83 27738 1 . ALA 84 84 27738 1 . THR 85 85 27738 1 . GLY 86 86 27738 1 . HIS 87 87 27738 1 . PRO 88 88 27738 1 . GLY 89 89 27738 1 . ILE 90 90 27738 1 . ILE 91 91 27738 1 . PRO 92 92 27738 1 . PRO 93 93 27738 1 . HIS 94 94 27738 1 . ALA 95 95 27738 1 . THR 96 96 27738 1 . LEU 97 97 27738 1 . VAL 98 98 27738 1 . PHE 99 99 27738 1 . ASP 100 100 27738 1 . VAL 101 101 27738 1 . GLU 102 102 27738 1 . LEU 103 103 27738 1 . LEU 104 104 27738 1 . LYS 105 105 27738 1 . LEU 106 106 27738 1 . GLU 107 107 27738 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 27738 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27738 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 27738 _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 . . . 27738 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27738 _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 . . 0.7 . . mM . . . . 27738 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27738 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27738 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 27738 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 27738 _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 27738 1 pH 6.0 . pH 27738 1 pressure 1 . atm 27738 1 temperature 273 . K 27738 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 27738 _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' . . 27738 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27738 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27738 _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' . . 27738 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27738 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27738 _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' . . 27738 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27738 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27738 _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' . . 27738 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27738 4 'peak picking' 27738 4 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27738 _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' . . 27738 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27738 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27738 _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 . . 27738 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27738 6 'peak picking' 27738 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27738 _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' . . 27738 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27738 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27738 _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 . . 27738 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27738 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 27738 _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 27738 _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 . . . 27738 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 27738 _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 . . . . . . . . . . . . . . . . 27738 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27738 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 27738 _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 . . . . . 27738 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27738 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27738 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 27738 _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' . . . 27738 1 2 '2D 1H-13C HSQC' . . . 27738 1 3 '3D HNCO' . . . 27738 1 4 '3D HNCA' . . . 27738 1 5 '3D HNCACB' . . . 27738 1 6 '3D HN(CO)CA' . . . 27738 1 7 '3D HNHA' . . . 27738 1 8 '3D HN(COCA)CB' . . . 27738 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 GLY H H 1 8.3570 0.02 . 1 . . . . . 1 GLY H . 27738 1 2 . 1 1 1 1 GLY HA3 H 1 3.0300 0.02 . 1 . . . . . 1 GLY HA3 . 27738 1 3 . 1 1 1 1 GLY C C 13 172.6650 0.3 . 1 . . . . . 1 GLY C . 27738 1 4 . 1 1 1 1 GLY CA C 13 45.8000 0.3 . 1 . . . . . 1 GLY CA . 27738 1 5 . 1 1 1 1 GLY N N 15 111.9080 0.4 . 1 . . . . . 1 GLY N . 27738 1 6 . 1 1 2 2 VAL H H 1 7.5500 0.02 . 1 . . . . . 2 VAL H . 27738 1 7 . 1 1 2 2 VAL HA H 1 4.0800 0.02 . 1 . . . . . 2 VAL HA . 27738 1 8 . 1 1 2 2 VAL C C 13 173.4110 0.3 . 1 . . . . . 2 VAL C . 27738 1 9 . 1 1 2 2 VAL CA C 13 59.8000 0.3 . 1 . . . . . 2 VAL CA . 27738 1 10 . 1 1 2 2 VAL CB C 13 35.0000 0.3 . 1 . . . . . 2 VAL CB . 27738 1 11 . 1 1 2 2 VAL N N 15 118.1200 0.4 . 1 . . . . . 2 VAL N . 27738 1 12 . 1 1 3 3 GLN H H 1 8.4450 0.02 . 1 . . . . . 3 GLN H . 27738 1 13 . 1 1 3 3 GLN HA H 1 4.6500 0.02 . 1 . . . . . 3 GLN HA . 27738 1 14 . 1 1 3 3 GLN C C 13 174.5530 0.3 . 1 . . . . . 3 GLN C . 27738 1 15 . 1 1 3 3 GLN CA C 13 54.3000 0.3 . 1 . . . . . 3 GLN CA . 27738 1 16 . 1 1 3 3 GLN CB C 13 32.0610 0.3 . 1 . . . . . 3 GLN CB . 27738 1 17 . 1 1 3 3 GLN N N 15 127.3010 0.4 . 1 . . . . . 3 GLN N . 27738 1 18 . 1 1 4 4 VAL H H 1 8.7770 0.02 . 1 . . . . . 4 VAL H . 27738 1 19 . 1 1 4 4 VAL HA H 1 4.4900 0.02 . 1 . . . . . 4 VAL HA . 27738 1 20 . 1 1 4 4 VAL C C 13 175.4180 0.3 . 1 . . . . . 4 VAL C . 27738 1 21 . 1 1 4 4 VAL CA C 13 62.0000 0.3 . 1 . . . . . 4 VAL CA . 27738 1 22 . 1 1 4 4 VAL CB C 13 33.6640 0.3 . 1 . . . . . 4 VAL CB . 27738 1 23 . 1 1 4 4 VAL N N 15 125.3890 0.4 . 1 . . . . . 4 VAL N . 27738 1 24 . 1 1 5 5 GLU H H 1 8.9670 0.02 . 1 . . . . . 5 GLU H . 27738 1 25 . 1 1 5 5 GLU HA H 1 4.7700 0.02 . 1 . . . . . 5 GLU HA . 27738 1 26 . 1 1 5 5 GLU C C 13 175.7620 0.3 . 1 . . . . . 5 GLU C . 27738 1 27 . 1 1 5 5 GLU CA C 13 54.4000 0.3 . 1 . . . . . 5 GLU CA . 27738 1 28 . 1 1 5 5 GLU CB C 13 33.0000 0.3 . 1 . . . . . 5 GLU CB . 27738 1 29 . 1 1 5 5 GLU N N 15 128.6920 0.4 . 1 . . . . . 5 GLU N . 27738 1 30 . 1 1 6 6 THR H H 1 9.1290 0.02 . 1 . . . . . 6 THR H . 27738 1 31 . 1 1 6 6 THR HA H 1 3.8700 0.02 . 1 . . . . . 6 THR HA . 27738 1 32 . 1 1 6 6 THR C C 13 173.6640 0.3 . 1 . . . . . 6 THR C . 27738 1 33 . 1 1 6 6 THR CA C 13 66.7000 0.3 . 1 . . . . . 6 THR CA . 27738 1 34 . 1 1 6 6 THR CB C 13 69.2000 0.3 . 1 . . . . . 6 THR CB . 27738 1 35 . 1 1 6 6 THR N N 15 124.3290 0.4 . 1 . . . . . 6 THR N . 27738 1 36 . 1 1 7 7 ILE H H 1 9.2960 0.02 . 1 . . . . . 7 ILE H . 27738 1 37 . 1 1 7 7 ILE HA H 1 4.0500 0.02 . 1 . . . . . 7 ILE HA . 27738 1 38 . 1 1 7 7 ILE C C 13 175.7660 0.3 . 1 . . . . . 7 ILE C . 27738 1 39 . 1 1 7 7 ILE CA C 13 63.3000 0.3 . 1 . . . . . 7 ILE CA . 27738 1 40 . 1 1 7 7 ILE CB C 13 40.1000 0.3 . 1 . . . . . 7 ILE CB . 27738 1 41 . 1 1 7 7 ILE N N 15 129.5420 0.4 . 1 . . . . . 7 ILE N . 27738 1 42 . 1 1 8 8 SER H H 1 8.2570 0.02 . 1 . . . . . 8 SER H . 27738 1 43 . 1 1 8 8 SER HA H 1 4.9600 0.02 . 1 . . . . . 8 SER HA . 27738 1 44 . 1 1 8 8 SER C C 13 171.9100 0.3 . 1 . . . . . 8 SER C . 27738 1 45 . 1 1 8 8 SER CA C 13 55.6140 0.3 . 1 . . . . . 8 SER CA . 27738 1 46 . 1 1 8 8 SER CB C 13 64.6000 0.3 . 1 . . . . . 8 SER CB . 27738 1 47 . 1 1 8 8 SER N N 15 114.7610 0.4 . 1 . . . . . 8 SER N . 27738 1 48 . 1 1 9 9 PRO HA H 1 4.3100 0.02 . 1 . . . . . 9 PRO HA . 27738 1 49 . 1 1 9 9 PRO C C 13 177.6410 0.3 . 1 . . . . . 9 PRO C . 27738 1 50 . 1 1 9 9 PRO CA C 13 63.6000 0.3 . 1 . . . . . 9 PRO CA . 27738 1 51 . 1 1 9 9 PRO CB C 13 33.2000 0.3 . 1 . . . . . 9 PRO CB . 27738 1 52 . 1 1 10 10 GLY H H 1 8.4320 0.02 . 1 . . . . . 10 GLY H . 27738 1 53 . 1 1 10 10 GLY HA3 H 1 3.5000 0.02 . 1 . . . . . 10 GLY HA3 . 27738 1 54 . 1 1 10 10 GLY C C 13 174.1960 0.3 . 1 . . . . . 10 GLY C . 27738 1 55 . 1 1 10 10 GLY CA C 13 44.2000 0.3 . 1 . . . . . 10 GLY CA . 27738 1 56 . 1 1 10 10 GLY N N 15 107.9220 0.4 . 1 . . . . . 10 GLY N . 27738 1 57 . 1 1 11 11 ASP H H 1 7.9910 0.02 . 1 . . . . . 11 ASP H . 27738 1 58 . 1 1 11 11 ASP HA H 1 4.2700 0.02 . 1 . . . . . 11 ASP HA . 27738 1 59 . 1 1 11 11 ASP C C 13 178.3010 0.3 . 1 . . . . . 11 ASP C . 27738 1 60 . 1 1 11 11 ASP CA C 13 54.6000 0.3 . 1 . . . . . 11 ASP CA . 27738 1 61 . 1 1 11 11 ASP CB C 13 39.7000 0.3 . 1 . . . . . 11 ASP CB . 27738 1 62 . 1 1 11 11 ASP N N 15 118.8580 0.4 . 1 . . . . . 11 ASP N . 27738 1 63 . 1 1 12 12 GLY H H 1 8.6820 0.02 . 1 . . . . . 12 GLY H . 27738 1 64 . 1 1 12 12 GLY HA3 H 1 3.9900 0.02 . 1 . . . . . 12 GLY HA3 . 27738 1 65 . 1 1 12 12 GLY C C 13 173.2470 0.3 . 1 . . . . . 12 GLY C . 27738 1 66 . 1 1 12 12 GLY CA C 13 46.0000 0.3 . 1 . . . . . 12 GLY CA . 27738 1 67 . 1 1 12 12 GLY N N 15 108.2490 0.4 . 1 . . . . . 12 GLY N . 27738 1 68 . 1 1 13 13 ARG H H 1 8.4850 0.02 . 1 . . . . . 13 ARG H . 27738 1 69 . 1 1 13 13 ARG HA H 1 4.6900 0.02 . 1 . . . . . 13 ARG HA . 27738 1 70 . 1 1 13 13 ARG C C 13 175.0110 0.3 . 1 . . . . . 13 ARG C . 27738 1 71 . 1 1 13 13 ARG CA C 13 56.8000 0.3 . 1 . . . . . 13 ARG CA . 27738 1 72 . 1 1 13 13 ARG CB C 13 34.7000 0.3 . 1 . . . . . 13 ARG CB . 27738 1 73 . 1 1 13 13 ARG N N 15 117.6400 0.4 . 1 . . . . . 13 ARG N . 27738 1 74 . 1 1 14 14 THR H H 1 10.1430 0.02 . 1 . . . . . 14 THR H . 27738 1 75 . 1 1 14 14 THR HA H 1 4.1800 0.02 . 1 . . . . . 14 THR HA . 27738 1 76 . 1 1 14 14 THR C C 13 172.2960 0.3 . 1 . . . . . 14 THR C . 27738 1 77 . 1 1 14 14 THR CA C 13 62.0000 0.3 . 1 . . . . . 14 THR CA . 27738 1 78 . 1 1 14 14 THR CB C 13 66.7000 0.3 . 1 . . . . . 14 THR CB . 27738 1 79 . 1 1 14 14 THR N N 15 125.3290 0.4 . 1 . . . . . 14 THR N . 27738 1 80 . 1 1 15 15 PHE H H 1 8.0810 0.02 . 1 . . . . . 15 PHE H . 27738 1 81 . 1 1 15 15 PHE HA H 1 5.2100 0.02 . 1 . . . . . 15 PHE HA . 27738 1 82 . 1 1 15 15 PHE C C 13 174.4260 0.3 . 1 . . . . . 15 PHE C . 27738 1 83 . 1 1 15 15 PHE CA C 13 54.5250 0.3 . 1 . . . . . 15 PHE CA . 27738 1 84 . 1 1 15 15 PHE CB C 13 40.2000 0.3 . 1 . . . . . 15 PHE CB . 27738 1 85 . 1 1 15 15 PHE N N 15 124.8600 0.4 . 1 . . . . . 15 PHE N . 27738 1 86 . 1 1 16 16 PRO HA H 1 4.3200 0.02 . 1 . . . . . 16 PRO HA . 27738 1 87 . 1 1 16 16 PRO C C 13 175.4470 0.3 . 1 . . . . . 16 PRO C . 27738 1 88 . 1 1 16 16 PRO CA C 13 63.1000 0.3 . 1 . . . . . 16 PRO CA . 27738 1 89 . 1 1 16 16 PRO CB C 13 33.8810 0.3 . 1 . . . . . 16 PRO CB . 27738 1 90 . 1 1 17 17 LYS H H 1 8.4590 0.02 . 1 . . . . . 17 LYS H . 27738 1 91 . 1 1 17 17 LYS HA H 1 4.5800 0.02 . 1 . . . . . 17 LYS HA . 27738 1 92 . 1 1 17 17 LYS C C 13 176.0460 0.3 . 1 . . . . . 17 LYS C . 27738 1 93 . 1 1 17 17 LYS CA C 13 53.5000 0.3 . 1 . . . . . 17 LYS CA . 27738 1 94 . 1 1 17 17 LYS CB C 13 35.2000 0.3 . 1 . . . . . 17 LYS CB . 27738 1 95 . 1 1 17 17 LYS N N 15 121.6550 0.4 . 1 . . . . . 17 LYS N . 27738 1 96 . 1 1 18 18 ARG H H 1 8.4200 0.02 . 1 . . . . . 18 ARG H . 27738 1 97 . 1 1 18 18 ARG HA H 1 3.6000 0.02 . 1 . . . . . 18 ARG HA . 27738 1 98 . 1 1 18 18 ARG C C 13 177.3690 0.3 . 1 . . . . . 18 ARG C . 27738 1 99 . 1 1 18 18 ARG CA C 13 58.8000 0.3 . 1 . . . . . 18 ARG CA . 27738 1 100 . 1 1 18 18 ARG CB C 13 30.1000 0.3 . 1 . . . . . 18 ARG CB . 27738 1 101 . 1 1 18 18 ARG N N 15 120.5000 0.4 . 1 . . . . . 18 ARG N . 27738 1 102 . 1 1 19 19 GLY H H 1 8.6430 0.02 . 1 . . . . . 19 GLY H . 27738 1 103 . 1 1 19 19 GLY HA3 H 1 4.3400 0.02 . 1 . . . . . 19 GLY HA3 . 27738 1 104 . 1 1 19 19 GLY C C 13 174.2090 0.3 . 1 . . . . . 19 GLY C . 27738 1 105 . 1 1 19 19 GLY CA C 13 45.0000 0.3 . 1 . . . . . 19 GLY CA . 27738 1 106 . 1 1 19 19 GLY N N 15 112.8680 0.4 . 1 . . . . . 19 GLY N . 27738 1 107 . 1 1 20 20 GLN H H 1 8.0570 0.02 . 1 . . . . . 20 GLN H . 27738 1 108 . 1 1 20 20 GLN HA H 1 4.4700 0.02 . 1 . . . . . 20 GLN HA . 27738 1 109 . 1 1 20 20 GLN C C 13 174.9730 0.3 . 1 . . . . . 20 GLN C . 27738 1 110 . 1 1 20 20 GLN CA C 13 56.3000 0.3 . 1 . . . . . 20 GLN CA . 27738 1 111 . 1 1 20 20 GLN CB C 13 31.2000 0.3 . 1 . . . . . 20 GLN CB . 27738 1 112 . 1 1 20 20 GLN N N 15 118.6980 0.4 . 1 . . . . . 20 GLN N . 27738 1 113 . 1 1 21 21 THR H H 1 8.7080 0.02 . 1 . . . . . 21 THR H . 27738 1 114 . 1 1 21 21 THR HA H 1 4.4400 0.02 . 1 . . . . . 21 THR HA . 27738 1 115 . 1 1 21 21 THR C C 13 173.7830 0.3 . 1 . . . . . 21 THR C . 27738 1 116 . 1 1 21 21 THR CA C 13 63.1000 0.3 . 1 . . . . . 21 THR CA . 27738 1 117 . 1 1 21 21 THR CB C 13 69.1000 0.3 . 1 . . . . . 21 THR CB . 27738 1 118 . 1 1 21 21 THR N N 15 119.6860 0.4 . 1 . . . . . 21 THR N . 27738 1 119 . 1 1 22 22 CYS H H 1 8.7820 0.02 . 1 . . . . . 22 CYS H . 27738 1 120 . 1 1 22 22 CYS HA H 1 4.2400 0.02 . 1 . . . . . 22 CYS HA . 27738 1 121 . 1 1 22 22 CYS C C 13 172.4310 0.3 . 1 . . . . . 22 CYS C . 27738 1 122 . 1 1 22 22 CYS CA C 13 58.0000 0.3 . 1 . . . . . 22 CYS CA . 27738 1 123 . 1 1 22 22 CYS CB C 13 29.1000 0.3 . 1 . . . . . 22 CYS CB . 27738 1 124 . 1 1 22 22 CYS N N 15 125.9590 0.4 . 1 . . . . . 22 CYS N . 27738 1 125 . 1 1 23 23 VAL H H 1 7.9430 0.02 . 1 . . . . . 23 VAL H . 27738 1 126 . 1 1 23 23 VAL HA H 1 4.5800 0.02 . 1 . . . . . 23 VAL HA . 27738 1 127 . 1 1 23 23 VAL C C 13 175.9000 0.3 . 1 . . . . . 23 VAL C . 27738 1 128 . 1 1 23 23 VAL CA C 13 61.5000 0.3 . 1 . . . . . 23 VAL CA . 27738 1 129 . 1 1 23 23 VAL CB C 13 31.7000 0.3 . 1 . . . . . 23 VAL CB . 27738 1 130 . 1 1 23 23 VAL N N 15 123.3950 0.4 . 1 . . . . . 23 VAL N . 27738 1 131 . 1 1 24 24 VAL H H 1 9.5590 0.02 . 1 . . . . . 24 VAL H . 27738 1 132 . 1 1 24 24 VAL HA H 1 5.8400 0.02 . 1 . . . . . 24 VAL HA . 27738 1 133 . 1 1 24 24 VAL C C 13 175.5400 0.3 . 1 . . . . . 24 VAL C . 27738 1 134 . 1 1 24 24 VAL CA C 13 57.9000 0.3 . 1 . . . . . 24 VAL CA . 27738 1 135 . 1 1 24 24 VAL CB C 13 36.2000 0.3 . 1 . . . . . 24 VAL CB . 27738 1 136 . 1 1 24 24 VAL N N 15 118.0220 0.4 . 1 . . . . . 24 VAL N . 27738 1 137 . 1 1 25 25 HIS H H 1 8.5090 0.02 . 1 . . . . . 25 HIS H . 27738 1 138 . 1 1 25 25 HIS HA H 1 5.8400 0.02 . 1 . . . . . 25 HIS HA . 27738 1 139 . 1 1 25 25 HIS C C 13 176.6770 0.3 . 1 . . . . . 25 HIS C . 27738 1 140 . 1 1 25 25 HIS CA C 13 54.5000 0.3 . 1 . . . . . 25 HIS CA . 27738 1 141 . 1 1 25 25 HIS CB C 13 35.8000 0.3 . 1 . . . . . 25 HIS CB . 27738 1 142 . 1 1 25 25 HIS N N 15 118.7030 0.4 . 1 . . . . . 25 HIS N . 27738 1 143 . 1 1 26 26 TYR H H 1 9.8920 0.02 . 1 . . . . . 26 TYR H . 27738 1 144 . 1 1 26 26 TYR HA H 1 6.4400 0.02 . 1 . . . . . 26 TYR HA . 27738 1 145 . 1 1 26 26 TYR C C 13 173.8130 0.3 . 1 . . . . . 26 TYR C . 27738 1 146 . 1 1 26 26 TYR CA C 13 55.9000 0.3 . 1 . . . . . 26 TYR CA . 27738 1 147 . 1 1 26 26 TYR CB C 13 44.7000 0.3 . 1 . . . . . 26 TYR CB . 27738 1 148 . 1 1 26 26 TYR N N 15 118.5630 0.4 . 1 . . . . . 26 TYR N . 27738 1 149 . 1 1 27 27 THR H H 1 8.6580 0.02 . 1 . . . . . 27 THR H . 27738 1 150 . 1 1 27 27 THR HA H 1 4.5100 0.02 . 1 . . . . . 27 THR HA . 27738 1 151 . 1 1 27 27 THR C C 13 172.7700 0.3 . 1 . . . . . 27 THR C . 27738 1 152 . 1 1 27 27 THR CA C 13 63.0000 0.3 . 1 . . . . . 27 THR CA . 27738 1 153 . 1 1 27 27 THR CB C 13 72.6000 0.3 . 1 . . . . . 27 THR CB . 27738 1 154 . 1 1 27 27 THR N N 15 116.7870 0.4 . 1 . . . . . 27 THR N . 27738 1 155 . 1 1 28 28 GLY H H 1 9.2200 0.02 . 1 . . . . . 28 GLY H . 27738 1 156 . 1 1 28 28 GLY C C 13 171.0200 0.3 . 1 . . . . . 28 GLY C . 27738 1 157 . 1 1 28 28 GLY CA C 13 45.5000 0.3 . 1 . . . . . 28 GLY CA . 27738 1 158 . 1 1 28 28 GLY N N 15 115.1820 0.02 . 1 . . . . . 28 GLY N . 27738 1 159 . 1 1 29 29 MET H H 1 9.1250 0.3 . 1 . . . . . 29 MET H . 27738 1 160 . 1 1 29 29 MET HA H 1 5.2300 0.02 . 1 . . . . . 29 MET HA . 27738 1 161 . 1 1 29 29 MET C C 13 175.5010 0.3 . 1 . . . . . 29 MET C . 27738 1 162 . 1 1 29 29 MET CA C 13 54.2000 0.3 . 1 . . . . . 29 MET CA . 27738 1 163 . 1 1 29 29 MET N N 15 125.5240 0.4 . 1 . . . . . 29 MET N . 27738 1 164 . 1 1 30 30 LEU H H 1 8.4180 0.02 . 1 . . . . . 30 LEU H . 27738 1 165 . 1 1 30 30 LEU HA H 1 4.7400 0.02 . 1 . . . . . 30 LEU HA . 27738 1 166 . 1 1 30 30 LEU C C 13 179.2770 0.3 . 1 . . . . . 30 LEU C . 27738 1 167 . 1 1 30 30 LEU CA C 13 54.2000 0.3 . 1 . . . . . 30 LEU CA . 27738 1 168 . 1 1 30 30 LEU CB C 13 41.9000 0.3 . 1 . . . . . 30 LEU CB . 27738 1 169 . 1 1 30 30 LEU N N 15 119.0180 0.4 . 1 . . . . . 30 LEU N . 27738 1 170 . 1 1 31 31 GLU H H 1 9.0070 0.02 . 1 . . . . . 31 GLU H . 27738 1 171 . 1 1 31 31 GLU HA H 1 3.7800 0.02 . 1 . . . . . 31 GLU HA . 27738 1 172 . 1 1 31 31 GLU C C 13 176.5950 0.3 . 1 . . . . . 31 GLU C . 27738 1 173 . 1 1 31 31 GLU CA C 13 59.8000 0.3 . 1 . . . . . 31 GLU CA . 27738 1 174 . 1 1 31 31 GLU CB C 13 30.2000 0.3 . 1 . . . . . 31 GLU CB . 27738 1 175 . 1 1 31 31 GLU N N 15 120.6300 0.4 . 1 . . . . . 31 GLU N . 27738 1 176 . 1 1 32 32 ASP H H 1 7.7790 0.02 . 1 . . . . . 32 ASP H . 27738 1 177 . 1 1 32 32 ASP HA H 1 4.4000 0.02 . 1 . . . . . 32 ASP HA . 27738 1 178 . 1 1 32 32 ASP C C 13 177.1790 0.3 . 1 . . . . . 32 ASP C . 27738 1 179 . 1 1 32 32 ASP CA C 13 53.6000 0.3 . 1 . . . . . 32 ASP CA . 27738 1 180 . 1 1 32 32 ASP CB C 13 40.3000 0.3 . 1 . . . . . 32 ASP CB . 27738 1 181 . 1 1 32 32 ASP N N 15 115.4250 0.4 . 1 . . . . . 32 ASP N . 27738 1 182 . 1 1 33 33 GLY H H 1 8.1540 0.02 . 1 . . . . . 33 GLY H . 27738 1 183 . 1 1 33 33 GLY HA2 H 1 4.2600 0.02 . 1 . . . . . 33 GLY HA2 . 27738 1 184 . 1 1 33 33 GLY HA3 H 1 3.6300 0.02 . 1 . . . . . 33 GLY HA3 . 27738 1 185 . 1 1 33 33 GLY C C 13 174.2450 0.3 . 1 . . . . . 33 GLY C . 27738 1 186 . 1 1 33 33 GLY CA C 13 44.9000 0.3 . 1 . . . . . 33 GLY CA . 27738 1 187 . 1 1 33 33 GLY N N 15 108.4820 0.4 . 1 . . . . . 33 GLY N . 27738 1 188 . 1 1 34 34 LYS H H 1 7.7980 0.02 . 1 . . . . . 34 LYS H . 27738 1 189 . 1 1 34 34 LYS HA H 1 4.0900 0.02 . 1 . . . . . 34 LYS HA . 27738 1 190 . 1 1 34 34 LYS C C 13 176.3000 0.3 . 1 . . . . . 34 LYS C . 27738 1 191 . 1 1 34 34 LYS CA C 13 57.3000 0.3 . 1 . . . . . 34 LYS CA . 27738 1 192 . 1 1 34 34 LYS CB C 13 33.0000 0.3 . 1 . . . . . 34 LYS CB . 27738 1 193 . 1 1 34 34 LYS N N 15 121.7620 0.4 . 1 . . . . . 34 LYS N . 27738 1 194 . 1 1 35 35 LYS H H 1 8.5050 0.02 . 1 . . . . . 35 LYS H . 27738 1 195 . 1 1 35 35 LYS HA H 1 4.4600 0.02 . 1 . . . . . 35 LYS HA . 27738 1 196 . 1 1 35 35 LYS C C 13 176.6830 0.3 . 1 . . . . . 35 LYS C . 27738 1 197 . 1 1 35 35 LYS CA C 13 56.7000 0.3 . 1 . . . . . 35 LYS CA . 27738 1 198 . 1 1 35 35 LYS CB C 13 33.3390 0.3 . 1 . . . . . 35 LYS CB . 27738 1 199 . 1 1 35 35 LYS N N 15 127.5250 0.4 . 1 . . . . . 35 LYS N . 27738 1 200 . 1 1 36 36 PHE H H 1 8.4620 0.02 . 1 . . . . . 36 PHE H . 27738 1 201 . 1 1 36 36 PHE HA H 1 5.0900 0.02 . 1 . . . . . 36 PHE HA . 27738 1 202 . 1 1 36 36 PHE C C 13 174.4690 0.3 . 1 . . . . . 36 PHE C . 27738 1 203 . 1 1 36 36 PHE CA C 13 56.3000 0.3 . 1 . . . . . 36 PHE CA . 27738 1 204 . 1 1 36 36 PHE CB C 13 41.5000 0.3 . 1 . . . . . 36 PHE CB . 27738 1 205 . 1 1 36 36 PHE N N 15 120.9120 0.4 . 1 . . . . . 36 PHE N . 27738 1 206 . 1 1 37 37 ASP H H 1 6.7690 0.02 . 1 . . . . . 37 ASP H . 27738 1 207 . 1 1 37 37 ASP HA H 1 4.8100 0.02 . 1 . . . . . 37 ASP HA . 27738 1 208 . 1 1 37 37 ASP C C 13 174.7760 0.3 . 1 . . . . . 37 ASP C . 27738 1 209 . 1 1 37 37 ASP CA C 13 54.7000 0.3 . 1 . . . . . 37 ASP CA . 27738 1 210 . 1 1 37 37 ASP CB C 13 44.9000 0.3 . 1 . . . . . 37 ASP CB . 27738 1 211 . 1 1 37 37 ASP N N 15 118.8550 0.4 . 1 . . . . . 37 ASP N . 27738 1 212 . 1 1 38 38 SER H H 1 8.1660 0.02 . 1 . . . . . 38 SER H . 27738 1 213 . 1 1 38 38 SER HA H 1 4.6000 0.02 . 1 . . . . . 38 SER HA . 27738 1 214 . 1 1 38 38 SER C C 13 174.9400 0.3 . 1 . . . . . 38 SER C . 27738 1 215 . 1 1 38 38 SER CA C 13 57.0000 0.3 . 1 . . . . . 38 SER CA . 27738 1 216 . 1 1 38 38 SER CB C 13 65.0000 0.3 . 1 . . . . . 38 SER CB . 27738 1 217 . 1 1 38 38 SER N N 15 118.3130 0.4 . 1 . . . . . 38 SER N . 27738 1 218 . 1 1 39 39 SER H H 1 7.9130 0.02 . 1 . . . . . 39 SER H . 27738 1 219 . 1 1 39 39 SER HA H 1 4.1200 0.02 . 1 . . . . . 39 SER HA . 27738 1 220 . 1 1 39 39 SER C C 13 177.0260 0.3 . 1 . . . . . 39 SER C . 27738 1 221 . 1 1 39 39 SER CA C 13 61.6000 0.3 . 1 . . . . . 39 SER CA . 27738 1 222 . 1 1 39 39 SER CB C 13 62.2000 0.3 . 1 . . . . . 39 SER CB . 27738 1 223 . 1 1 39 39 SER N N 15 124.6030 0.4 . 1 . . . . . 39 SER N . 27738 1 224 . 1 1 40 40 ARG H H 1 7.5590 0.02 . 1 . . . . . 40 ARG H . 27738 1 225 . 1 1 40 40 ARG HA H 1 3.5800 0.02 . 1 . . . . . 40 ARG HA . 27738 1 226 . 1 1 40 40 ARG C C 13 179.7860 0.3 . 1 . . . . . 40 ARG C . 27738 1 227 . 1 1 40 40 ARG CA C 13 59.0000 0.3 . 1 . . . . . 40 ARG CA . 27738 1 228 . 1 1 40 40 ARG CB C 13 29.3050 0.3 . 1 . . . . . 40 ARG CB . 27738 1 229 . 1 1 40 40 ARG N N 15 124.0610 0.4 . 1 . . . . . 40 ARG N . 27738 1 230 . 1 1 41 41 ASP H H 1 7.1500 0.02 . 1 . . . . . 41 ASP H . 27738 1 231 . 1 1 41 41 ASP HA H 1 4.2800 0.02 . 1 . . . . . 41 ASP HA . 27738 1 232 . 1 1 41 41 ASP C C 13 176.8440 0.3 . 1 . . . . . 41 ASP C . 27738 1 233 . 1 1 41 41 ASP CA C 13 56.4960 0.3 . 1 . . . . . 41 ASP CA . 27738 1 234 . 1 1 41 41 ASP CB C 13 40.5000 0.3 . 1 . . . . . 41 ASP CB . 27738 1 235 . 1 1 41 41 ASP N N 15 118.5780 0.4 . 1 . . . . . 41 ASP N . 27738 1 236 . 1 1 42 42 ARG H H 1 6.8620 0.02 . 1 . . . . . 42 ARG H . 27738 1 237 . 1 1 42 42 ARG HA H 1 4.4000 0.02 . 1 . . . . . 42 ARG HA . 27738 1 238 . 1 1 42 42 ARG C C 13 175.4700 0.3 . 1 . . . . . 42 ARG C . 27738 1 239 . 1 1 42 42 ARG CA C 13 56.2000 0.3 . 1 . . . . . 42 ARG CA . 27738 1 240 . 1 1 42 42 ARG CB C 13 31.6000 0.3 . 1 . . . . . 42 ARG CB . 27738 1 241 . 1 1 42 42 ARG N N 15 115.1000 0.4 . 1 . . . . . 42 ARG N . 27738 1 242 . 1 1 43 43 ASN H H 1 7.7690 0.02 . 1 . . . . . 43 ASN H . 27738 1 243 . 1 1 43 43 ASN HA H 1 4.3900 0.02 . 1 . . . . . 43 ASN HA . 27738 1 244 . 1 1 43 43 ASN C C 13 174.0870 0.3 . 1 . . . . . 43 ASN C . 27738 1 245 . 1 1 43 43 ASN CA C 13 54.1730 0.3 . 1 . . . . . 43 ASN CA . 27738 1 246 . 1 1 43 43 ASN CB C 13 38.0200 0.3 . 1 . . . . . 43 ASN CB . 27738 1 247 . 1 1 43 43 ASN N N 15 115.5680 0.4 . 1 . . . . . 43 ASN N . 27738 1 248 . 1 1 44 44 LYS H H 1 7.3400 0.02 . 1 . . . . . 44 LYS H . 27738 1 249 . 1 1 44 44 LYS HA H 1 4.8900 0.02 . 1 . . . . . 44 LYS HA . 27738 1 250 . 1 1 44 44 LYS C C 13 172.3910 0.3 . 1 . . . . . 44 LYS C . 27738 1 251 . 1 1 44 44 LYS CA C 13 53.7000 0.3 . 1 . . . . . 44 LYS CA . 27738 1 252 . 1 1 44 44 LYS CB C 13 35.8680 0.3 . 1 . . . . . 44 LYS CB . 27738 1 253 . 1 1 44 44 LYS N N 15 115.7000 0.4 . 1 . . . . . 44 LYS N . 27738 1 254 . 1 1 45 45 PRO HA H 1 3.8900 0.02 . 1 . . . . . 45 PRO HA . 27738 1 255 . 1 1 45 45 PRO C C 13 174.2610 0.3 . 1 . . . . . 45 PRO C . 27738 1 256 . 1 1 45 45 PRO CA C 13 63.0510 0.3 . 1 . . . . . 45 PRO CA . 27738 1 257 . 1 1 45 45 PRO CB C 13 32.9000 0.3 . 1 . . . . . 45 PRO CB . 27738 1 258 . 1 1 46 46 PHE H H 1 9.1460 0.02 . 1 . . . . . 46 PHE H . 27738 1 259 . 1 1 46 46 PHE HA H 1 4.9300 0.02 . 1 . . . . . 46 PHE HA . 27738 1 260 . 1 1 46 46 PHE C C 13 172.9760 0.3 . 1 . . . . . 46 PHE C . 27738 1 261 . 1 1 46 46 PHE CA C 13 56.8000 0.3 . 1 . . . . . 46 PHE CA . 27738 1 262 . 1 1 46 46 PHE CB C 13 43.5000 0.3 . 1 . . . . . 46 PHE CB . 27738 1 263 . 1 1 46 46 PHE N N 15 124.3300 0.4 . 1 . . . . . 46 PHE N . 27738 1 264 . 1 1 47 47 LYS H H 1 7.3760 0.02 . 1 . . . . . 47 LYS H . 27738 1 265 . 1 1 47 47 LYS HA H 1 5.5500 0.02 . 1 . . . . . 47 LYS HA . 27738 1 266 . 1 1 47 47 LYS C C 13 174.7540 0.3 . 1 . . . . . 47 LYS C . 27738 1 267 . 1 1 47 47 LYS CA C 13 54.2000 0.3 . 1 . . . . . 47 LYS CA . 27738 1 268 . 1 1 47 47 LYS CB C 13 35.8000 0.3 . 1 . . . . . 47 LYS CB . 27738 1 269 . 1 1 47 47 LYS N N 15 124.4410 0.4 . 1 . . . . . 47 LYS N . 27738 1 270 . 1 1 48 48 PHE H H 1 7.9430 0.02 . 1 . . . . . 48 PHE H . 27738 1 271 . 1 1 48 48 PHE HA H 1 4.6800 0.02 . 1 . . . . . 48 PHE HA . 27738 1 272 . 1 1 48 48 PHE C C 13 171.6960 0.3 . 1 . . . . . 48 PHE C . 27738 1 273 . 1 1 48 48 PHE CA C 13 55.7000 0.3 . 1 . . . . . 48 PHE CA . 27738 1 274 . 1 1 48 48 PHE CB C 13 41.9000 0.3 . 1 . . . . . 48 PHE CB . 27738 1 275 . 1 1 48 48 PHE N N 15 115.4550 0.4 . 1 . . . . . 48 PHE N . 27738 1 276 . 1 1 49 49 MET H H 1 9.1210 0.02 . 1 . . . . . 49 MET H . 27738 1 277 . 1 1 49 49 MET HA H 1 4.6800 0.02 . 1 . . . . . 49 MET HA . 27738 1 278 . 1 1 49 49 MET C C 13 176.4720 0.3 . 1 . . . . . 49 MET C . 27738 1 279 . 1 1 49 49 MET CA C 13 54.4000 0.3 . 1 . . . . . 49 MET CA . 27738 1 280 . 1 1 49 49 MET CB C 13 34.1000 0.3 . 1 . . . . . 49 MET CB . 27738 1 281 . 1 1 49 49 MET N N 15 122.8520 0.4 . 1 . . . . . 49 MET N . 27738 1 282 . 1 1 50 50 LEU H H 1 8.5730 0.02 . 1 . . . . . 50 LEU H . 27738 1 283 . 1 1 50 50 LEU HA H 1 4.1900 0.02 . 1 . . . . . 50 LEU HA . 27738 1 284 . 1 1 50 50 LEU C C 13 177.7860 0.3 . 1 . . . . . 50 LEU C . 27738 1 285 . 1 1 50 50 LEU CA C 13 57.2000 0.3 . 1 . . . . . 50 LEU CA . 27738 1 286 . 1 1 50 50 LEU CB C 13 42.1000 0.3 . 1 . . . . . 50 LEU CB . 27738 1 287 . 1 1 50 50 LEU N N 15 131.4400 0.4 . 1 . . . . . 50 LEU N . 27738 1 288 . 1 1 51 51 GLY H H 1 9.9530 0.02 . 1 . . . . . 51 GLY H . 27738 1 289 . 1 1 51 51 GLY HA2 H 1 4.3100 0.02 . 1 . . . . . 51 GLY HA2 . 27738 1 290 . 1 1 51 51 GLY HA3 H 1 3.8200 0.02 . 1 . . . . . 51 GLY HA3 . 27738 1 291 . 1 1 51 51 GLY C C 13 174.5290 0.3 . 1 . . . . . 51 GLY C . 27738 1 292 . 1 1 51 51 GLY CA C 13 45.5000 0.3 . 1 . . . . . 51 GLY CA . 27738 1 293 . 1 1 51 51 GLY N N 15 118.3500 0.4 . 1 . . . . . 51 GLY N . 27738 1 294 . 1 1 52 52 LYS H H 1 7.5050 0.02 . 1 . . . . . 52 LYS H . 27738 1 295 . 1 1 52 52 LYS HA H 1 4.4300 0.02 . 1 . . . . . 52 LYS HA . 27738 1 296 . 1 1 52 52 LYS C C 13 175.4160 0.3 . 1 . . . . . 52 LYS C . 27738 1 297 . 1 1 52 52 LYS CA C 13 54.8000 0.3 . 1 . . . . . 52 LYS CA . 27738 1 298 . 1 1 52 52 LYS CB C 13 33.6000 0.3 . 1 . . . . . 52 LYS CB . 27738 1 299 . 1 1 52 52 LYS N N 15 119.1380 0.4 . 1 . . . . . 52 LYS N . 27738 1 300 . 1 1 53 53 GLN H H 1 9.0110 0.02 . 1 . . . . . 53 GLN H . 27738 1 301 . 1 1 53 53 GLN HA H 1 3.9400 0.02 . 1 . . . . . 53 GLN HA . 27738 1 302 . 1 1 53 53 GLN C C 13 176.0490 0.3 . 1 . . . . . 53 GLN C . 27738 1 303 . 1 1 53 53 GLN CA C 13 57.2000 0.3 . 1 . . . . . 53 GLN CA . 27738 1 304 . 1 1 53 53 GLN CB C 13 26.5000 0.3 . 1 . . . . . 53 GLN CB . 27738 1 305 . 1 1 53 53 GLN N N 15 116.9620 0.4 . 1 . . . . . 53 GLN N . 27738 1 306 . 1 1 54 54 GLU H H 1 9.3500 0.02 . 1 . . . . . 54 GLU H . 27738 1 307 . 1 1 54 54 GLU HA H 1 4.1900 0.02 . 1 . . . . . 54 GLU HA . 27738 1 308 . 1 1 54 54 GLU C C 13 176.2590 0.3 . 1 . . . . . 54 GLU C . 27738 1 309 . 1 1 54 54 GLU CA C 13 57.4000 0.3 . 1 . . . . . 54 GLU CA . 27738 1 310 . 1 1 54 54 GLU CB C 13 31.4000 0.3 . 1 . . . . . 54 GLU CB . 27738 1 311 . 1 1 54 54 GLU N N 15 117.4510 0.4 . 1 . . . . . 54 GLU N . 27738 1 312 . 1 1 55 55 VAL H H 1 6.7790 0.02 . 1 . . . . . 55 VAL H . 27738 1 313 . 1 1 55 55 VAL HA H 1 4.2900 0.02 . 1 . . . . . 55 VAL HA . 27738 1 314 . 1 1 55 55 VAL C C 13 175.2590 0.3 . 1 . . . . . 55 VAL C . 27738 1 315 . 1 1 55 55 VAL CA C 13 57.6060 0.3 . 1 . . . . . 55 VAL CA . 27738 1 316 . 1 1 55 55 VAL CB C 13 36.1200 0.3 . 1 . . . . . 55 VAL CB . 27738 1 317 . 1 1 55 55 VAL N N 15 108.3960 0.4 . 1 . . . . . 55 VAL N . 27738 1 318 . 1 1 56 56 ILE H H 1 7.3890 0.02 . 1 . . . . . 56 ILE H . 27738 1 319 . 1 1 56 56 ILE HA H 1 3.8300 0.02 . 1 . . . . . 56 ILE HA . 27738 1 320 . 1 1 56 56 ILE C C 13 177.3320 0.3 . 1 . . . . . 56 ILE C . 27738 1 321 . 1 1 56 56 ILE CA C 13 62.0000 0.3 . 1 . . . . . 56 ILE CA . 27738 1 322 . 1 1 56 56 ILE CB C 13 38.7000 0.3 . 1 . . . . . 56 ILE CB . 27738 1 323 . 1 1 56 56 ILE N N 15 111.7100 0.4 . 1 . . . . . 56 ILE N . 27738 1 324 . 1 1 57 57 ARG H H 1 8.5970 0.02 . 1 . . . . . 57 ARG H . 27738 1 325 . 1 1 57 57 ARG HA H 1 4.0500 0.02 . 1 . . . . . 57 ARG HA . 27738 1 326 . 1 1 57 57 ARG C C 13 179.4270 0.3 . 1 . . . . . 57 ARG C . 27738 1 327 . 1 1 57 57 ARG CA C 13 59.9000 0.3 . 1 . . . . . 57 ARG CA . 27738 1 328 . 1 1 57 57 ARG CB C 13 31.0000 0.3 . 1 . . . . . 57 ARG CB . 27738 1 329 . 1 1 57 57 ARG N N 15 124.5640 0.4 . 1 . . . . . 57 ARG N . 27738 1 330 . 1 1 58 58 GLY H H 1 9.6290 0.02 . 1 . . . . . 58 GLY H . 27738 1 331 . 1 1 58 58 GLY HA3 H 1 3.8900 0.02 . 1 . . . . . 58 GLY HA3 . 27738 1 332 . 1 1 58 58 GLY C C 13 175.2840 0.3 . 1 . . . . . 58 GLY C . 27738 1 333 . 1 1 58 58 GLY CA C 13 47.7000 0.3 . 1 . . . . . 58 GLY CA . 27738 1 334 . 1 1 58 58 GLY N N 15 101.8880 0.4 . 1 . . . . . 58 GLY N . 27738 1 335 . 1 1 59 59 TRP H H 1 7.4810 0.02 . 1 . . . . . 59 TRP H . 27738 1 336 . 1 1 59 59 TRP HA H 1 4.2000 0.02 . 1 . . . . . 59 TRP HA . 27738 1 337 . 1 1 59 59 TRP C C 13 177.4840 0.3 . 1 . . . . . 59 TRP C . 27738 1 338 . 1 1 59 59 TRP CA C 13 59.7000 0.3 . 1 . . . . . 59 TRP CA . 27738 1 339 . 1 1 59 59 TRP CB C 13 29.4000 0.3 . 1 . . . . . 59 TRP CB . 27738 1 340 . 1 1 59 59 TRP N N 15 119.8480 0.4 . 1 . . . . . 59 TRP N . 27738 1 341 . 1 1 60 60 GLU H H 1 7.2530 0.02 . 1 . . . . . 60 GLU H . 27738 1 342 . 1 1 60 60 GLU HA H 1 3.8800 0.02 . 1 . . . . . 60 GLU HA . 27738 1 343 . 1 1 60 60 GLU C C 13 178.4040 0.3 . 1 . . . . . 60 GLU C . 27738 1 344 . 1 1 60 60 GLU CA C 13 61.0000 0.3 . 1 . . . . . 60 GLU CA . 27738 1 345 . 1 1 60 60 GLU CB C 13 29.7000 0.3 . 1 . . . . . 60 GLU CB . 27738 1 346 . 1 1 60 60 GLU N N 15 118.3920 0.4 . 1 . . . . . 60 GLU N . 27738 1 347 . 1 1 61 61 GLU H H 1 8.3480 0.02 . 1 . . . . . 61 GLU H . 27738 1 348 . 1 1 61 61 GLU HA H 1 4.1300 0.02 . 1 . . . . . 61 GLU HA . 27738 1 349 . 1 1 61 61 GLU C C 13 179.3130 0.3 . 1 . . . . . 61 GLU C . 27738 1 350 . 1 1 61 61 GLU CA C 13 58.6000 0.3 . 1 . . . . . 61 GLU CA . 27738 1 351 . 1 1 61 61 GLU CB C 13 30.2000 0.3 . 1 . . . . . 61 GLU CB . 27738 1 352 . 1 1 61 61 GLU N N 15 113.8020 0.4 . 1 . . . . . 61 GLU N . 27738 1 353 . 1 1 62 62 GLY H H 1 7.8750 0.02 . 1 . . . . . 62 GLY H . 27738 1 354 . 1 1 62 62 GLY HA2 H 1 3.6600 0.02 . 2 . . . . . 62 GLY HA2 . 27738 1 355 . 1 1 62 62 GLY HA3 H 1 3.6600 0.02 . 1 . . . . . 62 GLY HA3 . 27738 1 356 . 1 1 62 62 GLY C C 13 174.5660 0.3 . 1 . . . . . 62 GLY C . 27738 1 357 . 1 1 62 62 GLY CA C 13 47.2000 0.3 . 1 . . . . . 62 GLY CA . 27738 1 358 . 1 1 62 62 GLY N N 15 106.9630 0.4 . 1 . . . . . 62 GLY N . 27738 1 359 . 1 1 63 63 VAL H H 1 8.6580 0.02 . 1 . . . . . 63 VAL H . 27738 1 360 . 1 1 63 63 VAL HA H 1 3.8650 0.02 . 1 . . . . . 63 VAL HA . 27738 1 361 . 1 1 63 63 VAL C C 13 177.3600 0.3 . 1 . . . . . 63 VAL C . 27738 1 362 . 1 1 63 63 VAL CA C 13 65.4000 0.3 . 1 . . . . . 63 VAL CA . 27738 1 363 . 1 1 63 63 VAL CB C 13 31.4000 0.3 . 1 . . . . . 63 VAL CB . 27738 1 364 . 1 1 63 63 VAL N N 15 120.6650 0.4 . 1 . . . . . 63 VAL N . 27738 1 365 . 1 1 64 64 ALA H H 1 7.0700 0.02 . 1 . . . . . 64 ALA H . 27738 1 366 . 1 1 64 64 ALA HA H 1 3.9640 0.02 . 1 . . . . . 64 ALA HA . 27738 1 367 . 1 1 64 64 ALA C C 13 177.7920 0.3 . 1 . . . . . 64 ALA C . 27738 1 368 . 1 1 64 64 ALA CA C 13 54.5000 0.3 . 1 . . . . . 64 ALA CA . 27738 1 369 . 1 1 64 64 ALA CB C 13 19.0000 0.3 . 1 . . . . . 64 ALA CB . 27738 1 370 . 1 1 64 64 ALA N N 15 117.0390 0.4 . 1 . . . . . 64 ALA N . 27738 1 371 . 1 1 65 65 GLN H H 1 7.0940 0.02 . 1 . . . . . 65 GLN H . 27738 1 372 . 1 1 65 65 GLN HA H 1 4.3300 0.02 . 1 . . . . . 65 GLN HA . 27738 1 373 . 1 1 65 65 GLN C C 13 175.5600 0.3 . 1 . . . . . 65 GLN C . 27738 1 374 . 1 1 65 65 GLN CA C 13 55.5000 0.3 . 1 . . . . . 65 GLN CA . 27738 1 375 . 1 1 65 65 GLN CB C 13 30.4000 0.3 . 1 . . . . . 65 GLN CB . 27738 1 376 . 1 1 65 65 GLN N N 15 112.2260 0.4 . 1 . . . . . 65 GLN N . 27738 1 377 . 1 1 66 66 MET H H 1 7.9210 0.02 . 1 . . . . . 66 MET H . 27738 1 378 . 1 1 66 66 MET HA H 1 4.7700 0.02 . 1 . . . . . 66 MET HA . 27738 1 379 . 1 1 66 66 MET C C 13 172.4440 0.3 . 1 . . . . . 66 MET C . 27738 1 380 . 1 1 66 66 MET CA C 13 55.1000 0.3 . 1 . . . . . 66 MET CA . 27738 1 381 . 1 1 66 66 MET CB C 13 35.9000 0.3 . 1 . . . . . 66 MET CB . 27738 1 382 . 1 1 66 66 MET N N 15 122.4740 0.4 . 1 . . . . . 66 MET N . 27738 1 383 . 1 1 67 67 SER H H 1 8.1400 0.02 . 1 . . . . . 67 SER H . 27738 1 384 . 1 1 67 67 SER HA H 1 4.8100 0.02 . 1 . . . . . 67 SER HA . 27738 1 385 . 1 1 67 67 SER C C 13 176.2730 0.3 . 1 . . . . . 67 SER C . 27738 1 386 . 1 1 67 67 SER CA C 13 54.4000 0.3 . 1 . . . . . 67 SER CA . 27738 1 387 . 1 1 67 67 SER CB C 13 66.2000 0.3 . 1 . . . . . 67 SER CB . 27738 1 388 . 1 1 67 67 SER N N 15 107.5690 0.4 . 1 . . . . . 67 SER N . 27738 1 389 . 1 1 68 68 VAL H H 1 7.6030 0.02 . 1 . . . . . 68 VAL H . 27738 1 390 . 1 1 68 68 VAL HA H 1 3.0800 0.02 . 1 . . . . . 68 VAL HA . 27738 1 391 . 1 1 68 68 VAL C C 13 176.4080 0.3 . 1 . . . . . 68 VAL C . 27738 1 392 . 1 1 68 68 VAL CA C 13 67.1000 0.3 . 1 . . . . . 68 VAL CA . 27738 1 393 . 1 1 68 68 VAL CB C 13 31.9000 0.3 . 1 . . . . . 68 VAL CB . 27738 1 394 . 1 1 68 68 VAL N N 15 119.1920 0.4 . 1 . . . . . 68 VAL N . 27738 1 395 . 1 1 69 69 GLY H H 1 8.8020 0.02 . 1 . . . . . 69 GLY H . 27738 1 396 . 1 1 69 69 GLY HA2 H 1 4.4100 0.02 . 1 . . . . . 69 GLY HA2 . 27738 1 397 . 1 1 69 69 GLY HA3 H 1 3.8100 0.02 . 1 . . . . . 69 GLY HA3 . 27738 1 398 . 1 1 69 69 GLY C C 13 173.8760 0.3 . 1 . . . . . 69 GLY C . 27738 1 399 . 1 1 69 69 GLY CA C 13 44.4000 0.3 . 1 . . . . . 69 GLY CA . 27738 1 400 . 1 1 69 69 GLY N N 15 116.8930 0.4 . 1 . . . . . 69 GLY N . 27738 1 401 . 1 1 70 70 GLN H H 1 8.5620 0.02 . 1 . . . . . 70 GLN H . 27738 1 402 . 1 1 70 70 GLN HA H 1 4.0200 0.02 . 1 . . . . . 70 GLN HA . 27738 1 403 . 1 1 70 70 GLN C C 13 173.5900 0.3 . 1 . . . . . 70 GLN C . 27738 1 404 . 1 1 70 70 GLN CA C 13 55.8000 0.3 . 1 . . . . . 70 GLN CA . 27738 1 405 . 1 1 70 70 GLN CB C 13 30.9000 0.3 . 1 . . . . . 70 GLN CB . 27738 1 406 . 1 1 70 70 GLN N N 15 123.2160 0.4 . 1 . . . . . 70 GLN N . 27738 1 407 . 1 1 71 71 ARG H H 1 8.7510 0.02 . 1 . . . . . 71 ARG H . 27738 1 408 . 1 1 71 71 ARG HA H 1 5.6500 0.02 . 1 . . . . . 71 ARG HA . 27738 1 409 . 1 1 71 71 ARG C C 13 175.5520 0.3 . 1 . . . . . 71 ARG C . 27738 1 410 . 1 1 71 71 ARG CA C 13 53.9000 0.3 . 1 . . . . . 71 ARG CA . 27738 1 411 . 1 1 71 71 ARG CB C 13 34.1000 0.3 . 1 . . . . . 71 ARG CB . 27738 1 412 . 1 1 71 71 ARG N N 15 124.5990 0.4 . 1 . . . . . 71 ARG N . 27738 1 413 . 1 1 72 72 ALA H H 1 9.8830 0.02 . 1 . . . . . 72 ALA H . 27738 1 414 . 1 1 72 72 ALA HA H 1 5.0900 0.02 . 1 . . . . . 72 ALA HA . 27738 1 415 . 1 1 72 72 ALA C C 13 173.0690 0.3 . 1 . . . . . 72 ALA C . 27738 1 416 . 1 1 72 72 ALA CA C 13 51.1000 0.3 . 1 . . . . . 72 ALA CA . 27738 1 417 . 1 1 72 72 ALA CB C 13 23.9000 0.3 . 1 . . . . . 72 ALA CB . 27738 1 418 . 1 1 72 72 ALA N N 15 131.0300 0.4 . 1 . . . . . 72 ALA N . 27738 1 419 . 1 1 73 73 LYS H H 1 9.1650 0.02 . 1 . . . . . 73 LYS H . 27738 1 420 . 1 1 73 73 LYS HA H 1 5.2200 0.02 . 1 . . . . . 73 LYS HA . 27738 1 421 . 1 1 73 73 LYS C C 13 176.0500 0.3 . 1 . . . . . 73 LYS C . 27738 1 422 . 1 1 73 73 LYS CA C 13 54.7000 0.3 . 1 . . . . . 73 LYS CA . 27738 1 423 . 1 1 73 73 LYS CB C 13 34.7000 0.3 . 1 . . . . . 73 LYS CB . 27738 1 424 . 1 1 73 73 LYS N N 15 120.7340 0.4 . 1 . . . . . 73 LYS N . 27738 1 425 . 1 1 74 74 LEU H H 1 9.9350 0.02 . 1 . . . . . 74 LEU H . 27738 1 426 . 1 1 74 74 LEU HA H 1 5.4600 0.02 . 1 . . . . . 74 LEU HA . 27738 1 427 . 1 1 74 74 LEU C C 13 176.1150 0.3 . 1 . . . . . 74 LEU C . 27738 1 428 . 1 1 74 74 LEU CA C 13 53.3000 0.3 . 1 . . . . . 74 LEU CA . 27738 1 429 . 1 1 74 74 LEU CB C 13 44.1000 0.3 . 1 . . . . . 74 LEU CB . 27738 1 430 . 1 1 74 74 LEU N N 15 130.3250 0.4 . 1 . . . . . 74 LEU N . 27738 1 431 . 1 1 75 75 THR H H 1 8.8380 0.02 . 1 . . . . . 75 THR H . 27738 1 432 . 1 1 75 75 THR HA H 1 5.0400 0.02 . 1 . . . . . 75 THR HA . 27738 1 433 . 1 1 75 75 THR C C 13 175.1300 0.3 . 1 . . . . . 75 THR C . 27738 1 434 . 1 1 75 75 THR CA C 13 63.3000 0.3 . 1 . . . . . 75 THR CA . 27738 1 435 . 1 1 75 75 THR CB C 13 69.1000 0.3 . 1 . . . . . 75 THR CB . 27738 1 436 . 1 1 75 75 THR N N 15 121.7120 0.4 . 1 . . . . . 75 THR N . 27738 1 437 . 1 1 76 76 ILE H H 1 9.8460 0.02 . 1 . . . . . 76 ILE H . 27738 1 438 . 1 1 76 76 ILE HA H 1 4.6800 0.02 . 1 . . . . . 76 ILE HA . 27738 1 439 . 1 1 76 76 ILE C C 13 173.9730 0.3 . 1 . . . . . 76 ILE C . 27738 1 440 . 1 1 76 76 ILE CA C 13 60.9660 0.3 . 1 . . . . . 76 ILE CA . 27738 1 441 . 1 1 76 76 ILE CB C 13 41.7990 0.3 . 1 . . . . . 76 ILE CB . 27738 1 442 . 1 1 76 76 ILE N N 15 130.2620 0.4 . 1 . . . . . 76 ILE N . 27738 1 443 . 1 1 77 77 SER H H 1 8.6150 0.02 . 1 . . . . . 77 SER H . 27738 1 444 . 1 1 77 77 SER HA H 1 4.7100 0.02 . 1 . . . . . 77 SER HA . 27738 1 445 . 1 1 77 77 SER C C 13 173.9860 0.3 . 1 . . . . . 77 SER C . 27738 1 446 . 1 1 77 77 SER CA C 13 57.8270 0.3 . 1 . . . . . 77 SER CA . 27738 1 447 . 1 1 77 77 SER CB C 13 63.0460 0.3 . 1 . . . . . 77 SER CB . 27738 1 448 . 1 1 77 77 SER N N 15 123.4330 0.4 . 1 . . . . . 77 SER N . 27738 1 449 . 1 1 78 78 PRO HA H 1 4.4500 0.02 . 1 . . . . . 78 PRO HA . 27738 1 450 . 1 1 78 78 PRO C C 13 180.0180 0.3 . 1 . . . . . 78 PRO C . 27738 1 451 . 1 1 78 78 PRO CA C 13 65.9000 0.3 . 1 . . . . . 78 PRO CA . 27738 1 452 . 1 1 78 78 PRO CB C 13 31.3000 0.3 . 1 . . . . . 78 PRO CB . 27738 1 453 . 1 1 79 79 ASP H H 1 8.7960 0.02 . 1 . . . . . 79 ASP H . 27738 1 454 . 1 1 79 79 ASP HA H 1 4.3700 0.02 . 1 . . . . . 79 ASP HA . 27738 1 455 . 1 1 79 79 ASP C C 13 176.7340 0.3 . 1 . . . . . 79 ASP C . 27738 1 456 . 1 1 79 79 ASP CA C 13 56.1000 0.3 . 1 . . . . . 79 ASP CA . 27738 1 457 . 1 1 79 79 ASP CB C 13 39.6000 0.3 . 1 . . . . . 79 ASP CB . 27738 1 458 . 1 1 79 79 ASP N N 15 115.7430 0.4 . 1 . . . . . 79 ASP N . 27738 1 459 . 1 1 80 80 TYR H H 1 8.0430 0.02 . 1 . . . . . 80 TYR H . 27738 1 460 . 1 1 80 80 TYR HA H 1 4.3700 0.02 . 1 . . . . . 80 TYR HA . 27738 1 461 . 1 1 80 80 TYR C C 13 173.3250 0.3 . 1 . . . . . 80 TYR C . 27738 1 462 . 1 1 80 80 TYR CA C 13 57.7000 0.3 . 1 . . . . . 80 TYR CA . 27738 1 463 . 1 1 80 80 TYR CB C 13 39.3000 0.3 . 1 . . . . . 80 TYR CB . 27738 1 464 . 1 1 80 80 TYR N N 15 120.9990 0.4 . 1 . . . . . 80 TYR N . 27738 1 465 . 1 1 81 81 ALA H H 1 7.7380 0.02 . 1 . . . . . 81 ALA H . 27738 1 466 . 1 1 81 81 ALA HA H 1 4.3800 0.02 . 1 . . . . . 81 ALA HA . 27738 1 467 . 1 1 81 81 ALA C C 13 175.9060 0.3 . 1 . . . . . 81 ALA C . 27738 1 468 . 1 1 81 81 ALA CA C 13 51.7000 0.3 . 1 . . . . . 81 ALA CA . 27738 1 469 . 1 1 81 81 ALA CB C 13 19.5000 0.3 . 1 . . . . . 81 ALA CB . 27738 1 470 . 1 1 81 81 ALA N N 15 125.4570 0.4 . 1 . . . . . 81 ALA N . 27738 1 471 . 1 1 82 82 TYR H H 1 9.2970 0.02 . 1 . . . . . 82 TYR H . 27738 1 472 . 1 1 82 82 TYR HA H 1 4.5900 0.02 . 1 . . . . . 82 TYR HA . 27738 1 473 . 1 1 82 82 TYR C C 13 176.5950 0.3 . 1 . . . . . 82 TYR C . 27738 1 474 . 1 1 82 82 TYR CA C 13 58.9650 0.3 . 1 . . . . . 82 TYR CA . 27738 1 475 . 1 1 82 82 TYR CB C 13 38.0760 0.3 . 1 . . . . . 82 TYR CB . 27738 1 476 . 1 1 82 82 TYR N N 15 121.9740 0.4 . 1 . . . . . 82 TYR N . 27738 1 477 . 1 1 83 83 GLY H H 1 8.4750 0.02 . 1 . . . . . 83 GLY H . 27738 1 478 . 1 1 83 83 GLY C C 13 175.1850 0.3 . 1 . . . . . 83 GLY C . 27738 1 479 . 1 1 83 83 GLY CA C 13 46.8420 0.3 . 1 . . . . . 83 GLY CA . 27738 1 480 . 1 1 83 83 GLY N N 15 108.3350 0.4 . 1 . . . . . 83 GLY N . 27738 1 481 . 1 1 84 84 ALA HA H 1 3.3300 0.02 . 1 . . . . . 84 ALA HA . 27738 1 482 . 1 1 84 84 ALA C C 13 177.3720 0.3 . 1 . . . . . 84 ALA C . 27738 1 483 . 1 1 84 84 ALA CA C 13 53.7000 0.3 . 1 . . . . . 84 ALA CA . 27738 1 484 . 1 1 84 84 ALA CB C 13 19.5000 0.3 . 1 . . . . . 84 ALA CB . 27738 1 485 . 1 1 85 85 THR H H 1 7.9700 0.02 . 1 . . . . . 85 THR H . 27738 1 486 . 1 1 85 85 THR HA H 1 4.0300 0.02 . 1 . . . . . 85 THR HA . 27738 1 487 . 1 1 85 85 THR C C 13 177.0730 0.3 . 1 . . . . . 85 THR C . 27738 1 488 . 1 1 85 85 THR CA C 13 64.0340 0.3 . 1 . . . . . 85 THR CA . 27738 1 489 . 1 1 85 85 THR CB C 13 69.6000 0.3 . 1 . . . . . 85 THR CB . 27738 1 490 . 1 1 85 85 THR N N 15 109.2950 0.4 . 1 . . . . . 85 THR N . 27738 1 491 . 1 1 86 86 GLY H H 1 7.3490 0.02 . 1 . . . . . 86 GLY H . 27738 1 492 . 1 1 86 86 GLY C C 13 171.9000 0.3 . 1 . . . . . 86 GLY C . 27738 1 493 . 1 1 86 86 GLY CA C 13 45.1480 0.3 . 1 . . . . . 86 GLY CA . 27738 1 494 . 1 1 86 86 GLY N N 15 106.9710 0.4 . 1 . . . . . 86 GLY N . 27738 1 495 . 1 1 87 87 HIS H H 1 8.7570 0.02 . 1 . . . . . 87 HIS H . 27738 1 496 . 1 1 87 87 HIS HA H 1 4.9700 0.02 . 1 . . . . . 87 HIS HA . 27738 1 497 . 1 1 87 87 HIS C C 13 172.2300 0.3 . 1 . . . . . 87 HIS C . 27738 1 498 . 1 1 87 87 HIS CA C 13 52.7290 0.3 . 1 . . . . . 87 HIS CA . 27738 1 499 . 1 1 87 87 HIS CB C 13 32.4750 0.3 . 1 . . . . . 87 HIS CB . 27738 1 500 . 1 1 87 87 HIS N N 15 121.1000 0.4 . 1 . . . . . 87 HIS N . 27738 1 501 . 1 1 88 88 PRO HA H 1 4.1300 0.02 . 1 . . . . . 88 PRO HA . 27738 1 502 . 1 1 88 88 PRO C C 13 176.2880 0.3 . 1 . . . . . 88 PRO C . 27738 1 503 . 1 1 88 88 PRO CA C 13 65.0690 0.3 . 1 . . . . . 88 PRO CA . 27738 1 504 . 1 1 88 88 PRO CB C 13 31.5860 0.3 . 1 . . . . . 88 PRO CB . 27738 1 505 . 1 1 89 89 GLY H H 1 8.5590 0.02 . 1 . . . . . 89 GLY H . 27738 1 506 . 1 1 89 89 GLY HA3 H 1 3.5900 0.02 . 1 . . . . . 89 GLY HA3 . 27738 1 507 . 1 1 89 89 GLY C C 13 173.9490 0.3 . 1 . . . . . 89 GLY C . 27738 1 508 . 1 1 89 89 GLY CA C 13 45.3000 0.3 . 1 . . . . . 89 GLY CA . 27738 1 509 . 1 1 89 89 GLY N N 15 113.5330 0.4 . 1 . . . . . 89 GLY N . 27738 1 510 . 1 1 90 90 ILE H H 1 8.0320 0.02 . 1 . . . . . 90 ILE H . 27738 1 511 . 1 1 90 90 ILE HA H 1 4.2400 0.02 . 1 . . . . . 90 ILE HA . 27738 1 512 . 1 1 90 90 ILE C C 13 174.4170 0.3 . 1 . . . . . 90 ILE C . 27738 1 513 . 1 1 90 90 ILE CA C 13 62.8000 0.3 . 1 . . . . . 90 ILE CA . 27738 1 514 . 1 1 90 90 ILE CB C 13 41.9000 0.3 . 1 . . . . . 90 ILE CB . 27738 1 515 . 1 1 90 90 ILE N N 15 118.0380 0.4 . 1 . . . . . 90 ILE N . 27738 1 516 . 1 1 91 91 ILE H H 1 8.1440 0.02 . 1 . . . . . 91 ILE H . 27738 1 517 . 1 1 91 91 ILE HA H 1 4.4600 0.02 . 1 . . . . . 91 ILE HA . 27738 1 518 . 1 1 91 91 ILE C C 13 174.3090 0.3 . 1 . . . . . 91 ILE C . 27738 1 519 . 1 1 91 91 ILE CA C 13 56.6140 0.3 . 1 . . . . . 91 ILE CA . 27738 1 520 . 1 1 91 91 ILE CB C 13 41.1000 0.3 . 1 . . . . . 91 ILE CB . 27738 1 521 . 1 1 91 91 ILE N N 15 119.5360 0.4 . 1 . . . . . 91 ILE N . 27738 1 522 . 1 1 93 93 PRO HA H 1 3.6300 0.02 . 1 . . . . . 93 PRO HA . 27738 1 523 . 1 1 93 93 PRO C C 13 175.8430 0.3 . 1 . . . . . 93 PRO C . 27738 1 524 . 1 1 93 93 PRO CA C 13 63.6530 0.3 . 1 . . . . . 93 PRO CA . 27738 1 525 . 1 1 93 93 PRO CB C 13 33.5800 0.3 . 1 . . . . . 93 PRO CB . 27738 1 526 . 1 1 94 94 HIS H H 1 7.9150 0.02 . 1 . . . . . 94 HIS H . 27738 1 527 . 1 1 94 94 HIS HA H 1 3.8100 0.02 . 1 . . . . . 94 HIS HA . 27738 1 528 . 1 1 94 94 HIS C C 13 173.5230 0.3 . 1 . . . . . 94 HIS C . 27738 1 529 . 1 1 94 94 HIS CA C 13 56.9120 0.3 . 1 . . . . . 94 HIS CA . 27738 1 530 . 1 1 94 94 HIS CB C 13 27.9420 0.3 . 1 . . . . . 94 HIS CB . 27738 1 531 . 1 1 94 94 HIS N N 15 115.5680 0.4 . 1 . . . . . 94 HIS N . 27738 1 532 . 1 1 95 95 ALA H H 1 7.7000 0.02 . 1 . . . . . 95 ALA H . 27738 1 533 . 1 1 95 95 ALA HA H 1 4.4400 0.02 . 1 . . . . . 95 ALA HA . 27738 1 534 . 1 1 95 95 ALA C C 13 177.2260 0.3 . 1 . . . . . 95 ALA C . 27738 1 535 . 1 1 95 95 ALA CA C 13 52.7000 0.3 . 1 . . . . . 95 ALA CA . 27738 1 536 . 1 1 95 95 ALA CB C 13 20.9000 0.3 . 1 . . . . . 95 ALA CB . 27738 1 537 . 1 1 95 95 ALA N N 15 121.9000 0.4 . 1 . . . . . 95 ALA N . 27738 1 538 . 1 1 96 96 THR H H 1 8.4150 0.02 . 1 . . . . . 96 THR H . 27738 1 539 . 1 1 96 96 THR HA H 1 4.6300 0.02 . 1 . . . . . 96 THR HA . 27738 1 540 . 1 1 96 96 THR C C 13 173.7420 0.3 . 1 . . . . . 96 THR C . 27738 1 541 . 1 1 96 96 THR CA C 13 63.7000 0.3 . 1 . . . . . 96 THR CA . 27738 1 542 . 1 1 96 96 THR CB C 13 70.0000 0.3 . 1 . . . . . 96 THR CB . 27738 1 543 . 1 1 96 96 THR N N 15 122.8400 0.4 . 1 . . . . . 96 THR N . 27738 1 544 . 1 1 97 97 LEU H H 1 8.6770 0.02 . 1 . . . . . 97 LEU H . 27738 1 545 . 1 1 97 97 LEU HA H 1 5.0800 0.02 . 1 . . . . . 97 LEU HA . 27738 1 546 . 1 1 97 97 LEU C C 13 174.9640 0.3 . 1 . . . . . 97 LEU C . 27738 1 547 . 1 1 97 97 LEU CA C 13 52.9000 0.3 . 1 . . . . . 97 LEU CA . 27738 1 548 . 1 1 97 97 LEU CB C 13 46.7000 0.3 . 1 . . . . . 97 LEU CB . 27738 1 549 . 1 1 97 97 LEU N N 15 124.8330 0.4 . 1 . . . . . 97 LEU N . 27738 1 550 . 1 1 98 98 VAL H H 1 8.6540 0.02 . 1 . . . . . 98 VAL H . 27738 1 551 . 1 1 98 98 VAL HA H 1 5.1900 0.02 . 1 . . . . . 98 VAL HA . 27738 1 552 . 1 1 98 98 VAL C C 13 175.1710 0.3 . 1 . . . . . 98 VAL C . 27738 1 553 . 1 1 98 98 VAL CA C 13 60.7000 0.3 . 1 . . . . . 98 VAL CA . 27738 1 554 . 1 1 98 98 VAL CB C 13 34.7000 0.3 . 1 . . . . . 98 VAL CB . 27738 1 555 . 1 1 98 98 VAL N N 15 121.0720 0.4 . 1 . . . . . 98 VAL N . 27738 1 556 . 1 1 99 99 PHE H H 1 9.6580 0.02 . 1 . . . . . 99 PHE H . 27738 1 557 . 1 1 99 99 PHE HA H 1 5.7500 0.02 . 1 . . . . . 99 PHE HA . 27738 1 558 . 1 1 99 99 PHE C C 13 174.2730 0.3 . 1 . . . . . 99 PHE C . 27738 1 559 . 1 1 99 99 PHE CA C 13 55.2000 0.3 . 1 . . . . . 99 PHE CA . 27738 1 560 . 1 1 99 99 PHE CB C 13 43.7000 0.3 . 1 . . . . . 99 PHE CB . 27738 1 561 . 1 1 99 99 PHE N N 15 123.4890 0.4 . 1 . . . . . 99 PHE N . 27738 1 562 . 1 1 100 100 ASP H H 1 8.7200 0.02 . 1 . . . . . 100 ASP H . 27738 1 563 . 1 1 100 100 ASP HA H 1 5.1300 0.02 . 1 . . . . . 100 ASP HA . 27738 1 564 . 1 1 100 100 ASP C C 13 176.8560 0.3 . 1 . . . . . 100 ASP C . 27738 1 565 . 1 1 100 100 ASP CA C 13 52.8000 0.3 . 1 . . . . . 100 ASP CA . 27738 1 566 . 1 1 100 100 ASP CB C 13 42.6000 0.3 . 1 . . . . . 100 ASP CB . 27738 1 567 . 1 1 100 100 ASP N N 15 124.3810 0.4 . 1 . . . . . 100 ASP N . 27738 1 568 . 1 1 101 101 VAL H H 1 9.4610 0.02 . 1 . . . . . 101 VAL H . 27738 1 569 . 1 1 101 101 VAL HA H 1 4.9680 0.02 . 1 . . . . . 101 VAL HA . 27738 1 570 . 1 1 101 101 VAL C C 13 172.5940 0.3 . 1 . . . . . 101 VAL C . 27738 1 571 . 1 1 101 101 VAL CA C 13 61.1000 0.3 . 1 . . . . . 101 VAL CA . 27738 1 572 . 1 1 101 101 VAL CB C 13 35.8000 0.3 . 1 . . . . . 101 VAL CB . 27738 1 573 . 1 1 101 101 VAL N N 15 126.2880 0.4 . 1 . . . . . 101 VAL N . 27738 1 574 . 1 1 102 102 GLU H H 1 9.2300 0.02 . 1 . . . . . 102 GLU H . 27738 1 575 . 1 1 102 102 GLU HA H 1 5.3700 0.02 . 1 . . . . . 102 GLU HA . 27738 1 576 . 1 1 102 102 GLU C C 13 175.1530 0.3 . 1 . . . . . 102 GLU C . 27738 1 577 . 1 1 102 102 GLU CA C 13 54.0000 0.3 . 1 . . . . . 102 GLU CA . 27738 1 578 . 1 1 102 102 GLU CB C 13 34.1000 0.3 . 1 . . . . . 102 GLU CB . 27738 1 579 . 1 1 102 102 GLU N N 15 128.3540 0.4 . 1 . . . . . 102 GLU N . 27738 1 580 . 1 1 103 103 LEU H H 1 8.5650 0.02 . 1 . . . . . 103 LEU H . 27738 1 581 . 1 1 103 103 LEU HA H 1 4.6500 0.02 . 1 . . . . . 103 LEU HA . 27738 1 582 . 1 1 103 103 LEU C C 13 174.2270 0.3 . 1 . . . . . 103 LEU C . 27738 1 583 . 1 1 103 103 LEU CA C 13 54.3000 0.3 . 1 . . . . . 103 LEU CA . 27738 1 584 . 1 1 103 103 LEU CB C 13 41.8000 0.3 . 1 . . . . . 103 LEU CB . 27738 1 585 . 1 1 103 103 LEU N N 15 128.2690 0.4 . 1 . . . . . 103 LEU N . 27738 1 586 . 1 1 104 104 LEU H H 1 8.9700 0.02 . 1 . . . . . 104 LEU H . 27738 1 587 . 1 1 104 104 LEU HA H 1 4.1500 0.02 . 1 . . . . . 104 LEU HA . 27738 1 588 . 1 1 104 104 LEU C C 13 177.9090 0.3 . 1 . . . . . 104 LEU C . 27738 1 589 . 1 1 104 104 LEU CA C 13 57.3000 0.3 . 1 . . . . . 104 LEU CA . 27738 1 590 . 1 1 104 104 LEU CB C 13 43.2000 0.3 . 1 . . . . . 104 LEU CB . 27738 1 591 . 1 1 104 104 LEU N N 15 128.7260 0.4 . 1 . . . . . 104 LEU N . 27738 1 592 . 1 1 105 105 LYS H H 1 7.5840 0.02 . 1 . . . . . 105 LYS H . 27738 1 593 . 1 1 105 105 LYS HA H 1 4.3000 0.02 . 1 . . . . . 105 LYS HA . 27738 1 594 . 1 1 105 105 LYS C C 13 172.1870 0.3 . 1 . . . . . 105 LYS C . 27738 1 595 . 1 1 105 105 LYS CA C 13 55.5000 0.3 . 1 . . . . . 105 LYS CA . 27738 1 596 . 1 1 105 105 LYS CB C 13 35.8000 0.3 . 1 . . . . . 105 LYS CB . 27738 1 597 . 1 1 105 105 LYS N N 15 112.1490 0.4 . 1 . . . . . 105 LYS N . 27738 1 598 . 1 1 106 106 LEU H H 1 8.1610 0.02 . 1 . . . . . 106 LEU H . 27738 1 599 . 1 1 106 106 LEU HA H 1 5.2000 0.02 . 1 . . . . . 106 LEU HA . 27738 1 600 . 1 1 106 106 LEU C C 13 176.0050 0.3 . 1 . . . . . 106 LEU C . 27738 1 601 . 1 1 106 106 LEU CA C 13 53.1000 0.3 . 1 . . . . . 106 LEU CA . 27738 1 602 . 1 1 106 106 LEU CB C 13 44.7000 0.3 . 1 . . . . . 106 LEU CB . 27738 1 603 . 1 1 106 106 LEU N N 15 120.4980 0.4 . 1 . . . . . 106 LEU N . 27738 1 604 . 1 1 107 107 GLU H H 1 8.9230 0.02 . 1 . . . . . 107 GLU H . 27738 1 605 . 1 1 107 107 GLU HA H 1 4.2700 0.02 . 1 . . . . . 107 GLU HA . 27738 1 606 . 1 1 107 107 GLU C C 13 180.6070 0.3 . 1 . . . . . 107 GLU C . 27738 1 607 . 1 1 107 107 GLU CA C 13 56.6190 0.3 . 1 . . . . . 107 GLU CA . 27738 1 608 . 1 1 107 107 GLU CB C 13 33.0050 0.3 . 1 . . . . . 107 GLU CB . 27738 1 609 . 1 1 107 107 GLU N N 15 126.9130 0.4 . 1 . . . . . 107 GLU N . 27738 1 stop_ save_