data_16387 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16387 _Entry.Title ; Solution NMR Structure of denovo designed ferrodoxin fold like protein, Northeast Structural Genomics Consortium Target Target OR15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-30 _Entry.Accession_date 2009-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.Entry_ID 1 G. Liu G. . . 16387 2 N. Koga J. . . 16387 3 J. Jiang R. . . 16387 4 R. Xiao C. . . 16387 5 C. Ciccosanti J. Y. . 16387 6 J Locke . K . 16387 7 J. Everett R. . . 16387 8 R. Nair . B . 16387 9 T Acton B. . . 16387 10 B Rost G. T. . 16387 11 D Baker . . . 16387 12 G. Montelione . . . 16387 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16387 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 16387 'Protein NMR' . 16387 'Protein Structure Initiative' . 16387 PSI-2 . 16387 'Structural Genomics' . 16387 'Target OR15' . 16387 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16387 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 16387 '15N chemical shifts' 84 16387 '1H chemical shifts' 597 16387 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 3 . . 2012-12-12 2009-06-30 update BMRB 'update entry citation' 16387 2 . . 2012-10-31 2009-06-30 update BMRB 'update entry citation' 16387 1 . . 2009-08-06 2009-06-30 original author 'original release' 16387 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KL8 'BMRB Entry Tracking System' 16387 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16387 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23135467 _Citation.Full_citation . _Citation.Title 'Principles for designing ideal protein structures' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 491 _Citation.Journal_issue 7422 _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 222 _Citation.Page_last 227 _Citation.Year 2012 _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.Entry_ID _Citation_author.Citation_ID 1 Nobuyasu Koga . . . 16387 1 2 Rie Tatsumi-Koga . . . 16387 1 3 Gaohua Liu . . . 16387 1 4 Rong Xiao . . . 16387 1 5 Thomas Acton . B. . 16387 1 6 Gaetano Montelione . T. . 16387 1 7 David Baker . . . 16387 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16387 _Assembly.ID 1 _Assembly.Name OR15 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OR15 1 $OR15 A . yes native no no . . . 16387 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR15 _Entity.Sf_category entity _Entity.Sf_framecode OR15 _Entity.Entry_ID 16387 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR15 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEMDIRFRGDDLEAFEKALK EMIRQARKFAGTVTYTLDGN DLEIRITGVPEQVRKELAKE AERLAKEFNITVTYTIRLEH HHHHH ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10066.570 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2KL8 . "Solution Nmr Structure Of De Novo Designed Ferredoxin-like Fold Protein, Northeast Structural Genomics Consortium Target Or15" . . . . . 100.00 85 100.00 100.00 1.07e-53 . . . . 16387 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 . 16387 1 2 . GLU . 16387 1 3 . MET . 16387 1 4 . ASP . 16387 1 5 . ILE . 16387 1 6 . ARG . 16387 1 7 . PHE . 16387 1 8 . ARG . 16387 1 9 . GLY . 16387 1 10 . ASP . 16387 1 11 . ASP . 16387 1 12 . LEU . 16387 1 13 . GLU . 16387 1 14 . ALA . 16387 1 15 . PHE . 16387 1 16 . GLU . 16387 1 17 . LYS . 16387 1 18 . ALA . 16387 1 19 . LEU . 16387 1 20 . LYS . 16387 1 21 . GLU . 16387 1 22 . MET . 16387 1 23 . ILE . 16387 1 24 . ARG . 16387 1 25 . GLN . 16387 1 26 . ALA . 16387 1 27 . ARG . 16387 1 28 . LYS . 16387 1 29 . PHE . 16387 1 30 . ALA . 16387 1 31 . GLY . 16387 1 32 . THR . 16387 1 33 . VAL . 16387 1 34 . THR . 16387 1 35 . TYR . 16387 1 36 . THR . 16387 1 37 . LEU . 16387 1 38 . ASP . 16387 1 39 . GLY . 16387 1 40 . ASN . 16387 1 41 . ASP . 16387 1 42 . LEU . 16387 1 43 . GLU . 16387 1 44 . ILE . 16387 1 45 . ARG . 16387 1 46 . ILE . 16387 1 47 . THR . 16387 1 48 . GLY . 16387 1 49 . VAL . 16387 1 50 . PRO . 16387 1 51 . GLU . 16387 1 52 . GLN . 16387 1 53 . VAL . 16387 1 54 . ARG . 16387 1 55 . LYS . 16387 1 56 . GLU . 16387 1 57 . LEU . 16387 1 58 . ALA . 16387 1 59 . LYS . 16387 1 60 . GLU . 16387 1 61 . ALA . 16387 1 62 . GLU . 16387 1 63 . ARG . 16387 1 64 . LEU . 16387 1 65 . ALA . 16387 1 66 . LYS . 16387 1 67 . GLU . 16387 1 68 . PHE . 16387 1 69 . ASN . 16387 1 70 . ILE . 16387 1 71 . THR . 16387 1 72 . VAL . 16387 1 73 . THR . 16387 1 74 . TYR . 16387 1 75 . THR . 16387 1 76 . ILE . 16387 1 77 . ARG . 16387 1 78 . LEU . 16387 1 79 . GLU . 16387 1 80 . HIS . 16387 1 81 . HIS . 16387 1 82 . HIS . 16387 1 83 . HIS . 16387 1 84 . HIS . 16387 1 85 . HIS . 16387 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 16387 1 . GLU 2 2 16387 1 . MET 3 3 16387 1 . ASP 4 4 16387 1 . ILE 5 5 16387 1 . ARG 6 6 16387 1 . PHE 7 7 16387 1 . ARG 8 8 16387 1 . GLY 9 9 16387 1 . ASP 10 10 16387 1 . ASP 11 11 16387 1 . LEU 12 12 16387 1 . GLU 13 13 16387 1 . ALA 14 14 16387 1 . PHE 15 15 16387 1 . GLU 16 16 16387 1 . LYS 17 17 16387 1 . ALA 18 18 16387 1 . LEU 19 19 16387 1 . LYS 20 20 16387 1 . GLU 21 21 16387 1 . MET 22 22 16387 1 . ILE 23 23 16387 1 . ARG 24 24 16387 1 . GLN 25 25 16387 1 . ALA 26 26 16387 1 . ARG 27 27 16387 1 . LYS 28 28 16387 1 . PHE 29 29 16387 1 . ALA 30 30 16387 1 . GLY 31 31 16387 1 . THR 32 32 16387 1 . VAL 33 33 16387 1 . THR 34 34 16387 1 . TYR 35 35 16387 1 . THR 36 36 16387 1 . LEU 37 37 16387 1 . ASP 38 38 16387 1 . GLY 39 39 16387 1 . ASN 40 40 16387 1 . ASP 41 41 16387 1 . LEU 42 42 16387 1 . GLU 43 43 16387 1 . ILE 44 44 16387 1 . ARG 45 45 16387 1 . ILE 46 46 16387 1 . THR 47 47 16387 1 . GLY 48 48 16387 1 . VAL 49 49 16387 1 . PRO 50 50 16387 1 . GLU 51 51 16387 1 . GLN 52 52 16387 1 . VAL 53 53 16387 1 . ARG 54 54 16387 1 . LYS 55 55 16387 1 . GLU 56 56 16387 1 . LEU 57 57 16387 1 . ALA 58 58 16387 1 . LYS 59 59 16387 1 . GLU 60 60 16387 1 . ALA 61 61 16387 1 . GLU 62 62 16387 1 . ARG 63 63 16387 1 . LEU 64 64 16387 1 . ALA 65 65 16387 1 . LYS 66 66 16387 1 . GLU 67 67 16387 1 . PHE 68 68 16387 1 . ASN 69 69 16387 1 . ILE 70 70 16387 1 . THR 71 71 16387 1 . VAL 72 72 16387 1 . THR 73 73 16387 1 . TYR 74 74 16387 1 . THR 75 75 16387 1 . ILE 76 76 16387 1 . ARG 77 77 16387 1 . LEU 78 78 16387 1 . GLU 79 79 16387 1 . HIS 80 80 16387 1 . HIS 81 81 16387 1 . HIS 82 82 16387 1 . HIS 83 83 16387 1 . HIS 84 84 16387 1 . HIS 85 85 16387 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 16387 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OR15 . . 'not applicable' . Other . . . . . . . . . . . . . . . . . . . . . . . . . 'or15 is a designed protein of ferredoxin-like fold from David Baker's lab.' . . 16387 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 16387 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OR15 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . 'pET 14-15C' . . BL21 . . . . . . 16387 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16387 _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 OR15 '[U-100% 13C; U-100% 15N]' . . 1 $OR15 . . 0.47 . . mM . . . . 16387 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 16387 _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 pH 6.5 . pH 16387 1 pressure 1.0 . atm 16387 1 temperature 303 . K 16387 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16387 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16387 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16387 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16387 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16387 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16387 2 refinement 16387 2 'structure solution' 16387 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16387 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16387 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16387 3 refinement 16387 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16387 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16387 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16387 4 'data analysis' 16387 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16387 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16387 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16387 5 'data analysis' 16387 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16387 _Software.ID 6 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16387 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16387 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16387 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16387 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16387 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16387 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16387 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16387 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16387 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16387 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16387 9 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 16387 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16387 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16387 _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 . 800 . . . 16387 1 2 spectrometer_2 Varian INOVA . 600 . . . 16387 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 16387 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16387 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16387 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 4 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 5 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 6 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 7 '3D H(CCO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 8 '3D HN(CO)CA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16387 1 9 '3D simutaneous 1H, 15N, 13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16387 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/NHSQC/ . . . . . . . 16387 1 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/NHSQC/ . . . . . . . 16387 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/NHSQC/ . . . . . . . 16387 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/CT_aliCHSQC/ . . . . . . . 16387 2 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/CT_aliCHSQC/ . . . . . . . 16387 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/CT_aliCHSQC/ . . . . . . . 16387 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_cbcaconh3226/ . . . . . . . 16387 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_cbcaconh3226/ . . . . . . . 16387 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_cbcaconh3226/ . . . . . . . 16387 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnc03228/ . . . . . . . 16387 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnc03228/ . . . . . . . 16387 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnc03228/ . . . . . . . 16387 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnca3232/ . . . . . . . 16387 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnca3232/ . . . . . . . 16387 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hnca3232/ . . . . . . . 16387 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncacb_3227/ . . . . . . . 16387 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncacb_3227/ . . . . . . . 16387 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncacb_3227/ . . . . . . . 16387 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D H(CCO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_CccoNH3229/ . . . . . . . 16387 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_CccoNH3229/ . . . . . . . 16387 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_CccoNH3229/ . . . . . . . 16387 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncoca3233/ . . . . . . . 16387 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncoca3233/ . . . . . . . 16387 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/var600/OR15_hncoca3233/ . . . . . . . 16387 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16387 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D simutaneous 1H, 15N, 13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/simnoesy/ . . . . . . . 16387 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/simnoesy/ . . . . . . . 16387 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16387/timedomain_data/brk800/simnoesy/ . . . . . . . 16387 9 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 16387 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16387 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16387 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16387 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 16387 _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 9 '3D simutaneous 1H, 15N, 13C NOESY' . . . 16387 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $AutoAssign . . 16387 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.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 4.22 0.02 . 1 . . . . 1 MET HA . 16387 1 2 . 1 1 1 1 MET HB2 H 1 2.15 0.02 . 2 . . . . 1 MET HB2 . 16387 1 3 . 1 1 1 1 MET HB3 H 1 2.11 0.02 . 2 . . . . 1 MET HB3 . 16387 1 4 . 1 1 1 1 MET HE1 H 1 1.93 0.02 . 1 . . . . 1 MET HE . 16387 1 5 . 1 1 1 1 MET HE2 H 1 1.93 0.02 . 1 . . . . 1 MET HE . 16387 1 6 . 1 1 1 1 MET HE3 H 1 1.93 0.02 . 1 . . . . 1 MET HE . 16387 1 7 . 1 1 1 1 MET HG2 H 1 2.53 0.02 . 2 . . . . 1 MET HG2 . 16387 1 8 . 1 1 1 1 MET HG3 H 1 2.53 0.02 . 2 . . . . 1 MET HG3 . 16387 1 9 . 1 1 1 1 MET C C 13 171.6 0.5 . 1 . . . . 1 MET C . 16387 1 10 . 1 1 1 1 MET CA C 13 55.2 0.5 . 1 . . . . 1 MET CA . 16387 1 11 . 1 1 1 1 MET CB C 13 33.2 0.5 . 1 . . . . 1 MET CB . 16387 1 12 . 1 1 1 1 MET CE C 13 17.3 0.5 . 1 . . . . 1 MET CE . 16387 1 13 . 1 1 1 1 MET CG C 13 31.3 0.5 . 1 . . . . 1 MET CG . 16387 1 14 . 1 1 2 2 GLU H H 1 8.72 0.02 . 1 . . . . 2 GLU H . 16387 1 15 . 1 1 2 2 GLU HA H 1 5.26 0.02 . 1 . . . . 2 GLU HA . 16387 1 16 . 1 1 2 2 GLU HB2 H 1 1.97 0.02 . 2 . . . . 2 GLU HB2 . 16387 1 17 . 1 1 2 2 GLU HB3 H 1 1.97 0.02 . 2 . . . . 2 GLU HB3 . 16387 1 18 . 1 1 2 2 GLU HG2 H 1 2.14 0.02 . 2 . . . . 2 GLU HG2 . 16387 1 19 . 1 1 2 2 GLU HG3 H 1 2.15 0.02 . 2 . . . . 2 GLU HG3 . 16387 1 20 . 1 1 2 2 GLU C C 13 174.3 0.5 . 1 . . . . 2 GLU C . 16387 1 21 . 1 1 2 2 GLU CA C 13 54.3 0.5 . 1 . . . . 2 GLU CA . 16387 1 22 . 1 1 2 2 GLU CB C 13 32.4 0.5 . 1 . . . . 2 GLU CB . 16387 1 23 . 1 1 2 2 GLU CG C 13 36.0 0.5 . 1 . . . . 2 GLU CG . 16387 1 24 . 1 1 2 2 GLU N N 15 121.1 0.5 . 1 . . . . 2 GLU N . 16387 1 25 . 1 1 3 3 MET H H 1 8.99 0.02 . 1 . . . . 3 MET H . 16387 1 26 . 1 1 3 3 MET HA H 1 5.12 0.02 . 1 . . . . 3 MET HA . 16387 1 27 . 1 1 3 3 MET HB2 H 1 1.68 0.02 . 2 . . . . 3 MET HB2 . 16387 1 28 . 1 1 3 3 MET HB3 H 1 1.89 0.02 . 2 . . . . 3 MET HB3 . 16387 1 29 . 1 1 3 3 MET HE1 H 1 1.63 0.02 . 1 . . . . 3 MET HE . 16387 1 30 . 1 1 3 3 MET HE2 H 1 1.63 0.02 . 1 . . . . 3 MET HE . 16387 1 31 . 1 1 3 3 MET HE3 H 1 1.63 0.02 . 1 . . . . 3 MET HE . 16387 1 32 . 1 1 3 3 MET HG2 H 1 2.35 0.02 . 2 . . . . 3 MET HG2 . 16387 1 33 . 1 1 3 3 MET HG3 H 1 2.30 0.02 . 2 . . . . 3 MET HG3 . 16387 1 34 . 1 1 3 3 MET C C 13 172.6 0.5 . 1 . . . . 3 MET C . 16387 1 35 . 1 1 3 3 MET CA C 13 54.6 0.5 . 1 . . . . 3 MET CA . 16387 1 36 . 1 1 3 3 MET CB C 13 37.0 0.5 . 1 . . . . 3 MET CB . 16387 1 37 . 1 1 3 3 MET CE C 13 16.5 0.5 . 1 . . . . 3 MET CE . 16387 1 38 . 1 1 3 3 MET CG C 13 32.0 0.5 . 1 . . . . 3 MET CG . 16387 1 39 . 1 1 3 3 MET N N 15 122.6 0.5 . 1 . . . . 3 MET N . 16387 1 40 . 1 1 4 4 ASP H H 1 8.81 0.02 . 1 . . . . 4 ASP H . 16387 1 41 . 1 1 4 4 ASP HA H 1 5.65 0.02 . 1 . . . . 4 ASP HA . 16387 1 42 . 1 1 4 4 ASP HB2 H 1 2.55 0.02 . 2 . . . . 4 ASP HB2 . 16387 1 43 . 1 1 4 4 ASP HB3 H 1 2.61 0.02 . 2 . . . . 4 ASP HB3 . 16387 1 44 . 1 1 4 4 ASP C C 13 175.0 0.5 . 1 . . . . 4 ASP C . 16387 1 45 . 1 1 4 4 ASP CA C 13 52.6 0.5 . 1 . . . . 4 ASP CA . 16387 1 46 . 1 1 4 4 ASP CB C 13 41.8 0.5 . 1 . . . . 4 ASP CB . 16387 1 47 . 1 1 4 4 ASP N N 15 126.3 0.5 . 1 . . . . 4 ASP N . 16387 1 48 . 1 1 5 5 ILE H H 1 9.52 0.02 . 1 . . . . 5 ILE H . 16387 1 49 . 1 1 5 5 ILE HA H 1 4.47 0.02 . 1 . . . . 5 ILE HA . 16387 1 50 . 1 1 5 5 ILE HB H 1 1.63 0.02 . 1 . . . . 5 ILE HB . 16387 1 51 . 1 1 5 5 ILE HD11 H 1 0.79 0.02 . 1 . . . . 5 ILE HD1 . 16387 1 52 . 1 1 5 5 ILE HD12 H 1 0.79 0.02 . 1 . . . . 5 ILE HD1 . 16387 1 53 . 1 1 5 5 ILE HD13 H 1 0.79 0.02 . 1 . . . . 5 ILE HD1 . 16387 1 54 . 1 1 5 5 ILE HG12 H 1 1.52 0.02 . 2 . . . . 5 ILE HG12 . 16387 1 55 . 1 1 5 5 ILE HG13 H 1 0.79 0.02 . 2 . . . . 5 ILE HG13 . 16387 1 56 . 1 1 5 5 ILE HG21 H 1 0.36 0.02 . 1 . . . . 5 ILE HG2 . 16387 1 57 . 1 1 5 5 ILE HG22 H 1 0.36 0.02 . 1 . . . . 5 ILE HG2 . 16387 1 58 . 1 1 5 5 ILE HG23 H 1 0.36 0.02 . 1 . . . . 5 ILE HG2 . 16387 1 59 . 1 1 5 5 ILE C C 13 173.6 0.5 . 1 . . . . 5 ILE C . 16387 1 60 . 1 1 5 5 ILE CA C 13 60.5 0.5 . 1 . . . . 5 ILE CA . 16387 1 61 . 1 1 5 5 ILE CB C 13 41.1 0.5 . 1 . . . . 5 ILE CB . 16387 1 62 . 1 1 5 5 ILE CD1 C 13 14.7 0.5 . 1 . . . . 5 ILE CD1 . 16387 1 63 . 1 1 5 5 ILE CG1 C 13 28.0 0.5 . 1 . . . . 5 ILE CG1 . 16387 1 64 . 1 1 5 5 ILE CG2 C 13 19.4 0.5 . 1 . . . . 5 ILE CG2 . 16387 1 65 . 1 1 5 5 ILE N N 15 124.6 0.5 . 1 . . . . 5 ILE N . 16387 1 66 . 1 1 6 6 ARG H H 1 8.97 0.02 . 1 . . . . 6 ARG H . 16387 1 67 . 1 1 6 6 ARG HA H 1 5.41 0.02 . 1 . . . . 6 ARG HA . 16387 1 68 . 1 1 6 6 ARG HB2 H 1 1.57 0.02 . 2 . . . . 6 ARG HB2 . 16387 1 69 . 1 1 6 6 ARG HB3 H 1 1.70 0.02 . 2 . . . . 6 ARG HB3 . 16387 1 70 . 1 1 6 6 ARG HD2 H 1 3.02 0.02 . 2 . . . . 6 ARG HD2 . 16387 1 71 . 1 1 6 6 ARG HD3 H 1 3.11 0.02 . 2 . . . . 6 ARG HD3 . 16387 1 72 . 1 1 6 6 ARG HE H 1 7.52 0.02 . 1 . . . . 6 ARG HE . 16387 1 73 . 1 1 6 6 ARG HG2 H 1 1.30 0.02 . 2 . . . . 6 ARG HG2 . 16387 1 74 . 1 1 6 6 ARG HG3 H 1 1.43 0.02 . 2 . . . . 6 ARG HG3 . 16387 1 75 . 1 1 6 6 ARG C C 13 175.3 0.5 . 1 . . . . 6 ARG C . 16387 1 76 . 1 1 6 6 ARG CA C 13 54.4 0.5 . 1 . . . . 6 ARG CA . 16387 1 77 . 1 1 6 6 ARG CB C 13 32.5 0.5 . 1 . . . . 6 ARG CB . 16387 1 78 . 1 1 6 6 ARG CD C 13 43.4 0.5 . 1 . . . . 6 ARG CD . 16387 1 79 . 1 1 6 6 ARG CG C 13 27.9 0.5 . 1 . . . . 6 ARG CG . 16387 1 80 . 1 1 6 6 ARG N N 15 127.5 0.5 . 1 . . . . 6 ARG N . 16387 1 81 . 1 1 6 6 ARG NE N 15 84.5 0.5 . 1 . . . . 6 ARG NE . 16387 1 82 . 1 1 7 7 PHE H H 1 9.53 0.02 . 1 . . . . 7 PHE H . 16387 1 83 . 1 1 7 7 PHE HA H 1 5.72 0.02 . 1 . . . . 7 PHE HA . 16387 1 84 . 1 1 7 7 PHE HB2 H 1 2.77 0.02 . 2 . . . . 7 PHE HB2 . 16387 1 85 . 1 1 7 7 PHE HB3 H 1 2.94 0.02 . 2 . . . . 7 PHE HB3 . 16387 1 86 . 1 1 7 7 PHE HD1 H 1 7.06 0.02 . 3 . . . . 7 PHE HD1 . 16387 1 87 . 1 1 7 7 PHE HD2 H 1 7.06 0.02 . 3 . . . . 7 PHE HD2 . 16387 1 88 . 1 1 7 7 PHE HE1 H 1 7.16 0.02 . 3 . . . . 7 PHE HE1 . 16387 1 89 . 1 1 7 7 PHE HE2 H 1 7.16 0.02 . 3 . . . . 7 PHE HE2 . 16387 1 90 . 1 1 7 7 PHE HZ H 1 7.10 0.02 . 1 . . . . 7 PHE HZ . 16387 1 91 . 1 1 7 7 PHE C C 13 174.8 0.5 . 1 . . . . 7 PHE C . 16387 1 92 . 1 1 7 7 PHE CA C 13 56.0 0.5 . 1 . . . . 7 PHE CA . 16387 1 93 . 1 1 7 7 PHE CB C 13 42.3 0.5 . 1 . . . . 7 PHE CB . 16387 1 94 . 1 1 7 7 PHE CD1 C 13 132.1 0.5 . 1 . . . . 7 PHE CD1 . 16387 1 95 . 1 1 7 7 PHE CE1 C 13 129.6 0.5 . 1 . . . . 7 PHE CE1 . 16387 1 96 . 1 1 7 7 PHE CZ C 13 129.1 0.5 . 1 . . . . 7 PHE CZ . 16387 1 97 . 1 1 7 7 PHE N N 15 125.4 0.5 . 1 . . . . 7 PHE N . 16387 1 98 . 1 1 8 8 ARG H H 1 8.77 0.02 . 1 . . . . 8 ARG H . 16387 1 99 . 1 1 8 8 ARG HA H 1 5.70 0.02 . 1 . . . . 8 ARG HA . 16387 1 100 . 1 1 8 8 ARG HB2 H 1 1.81 0.02 . 2 . . . . 8 ARG HB2 . 16387 1 101 . 1 1 8 8 ARG HB3 H 1 1.73 0.02 . 2 . . . . 8 ARG HB3 . 16387 1 102 . 1 1 8 8 ARG HD2 H 1 3.14 0.02 . 2 . . . . 8 ARG HD2 . 16387 1 103 . 1 1 8 8 ARG HD3 H 1 3.14 0.02 . 2 . . . . 8 ARG HD3 . 16387 1 104 . 1 1 8 8 ARG HG2 H 1 1.64 0.02 . 2 . . . . 8 ARG HG2 . 16387 1 105 . 1 1 8 8 ARG HG3 H 1 1.64 0.02 . 2 . . . . 8 ARG HG3 . 16387 1 106 . 1 1 8 8 ARG C C 13 175.4 0.5 . 1 . . . . 8 ARG C . 16387 1 107 . 1 1 8 8 ARG CA C 13 54.5 0.5 . 1 . . . . 8 ARG CA . 16387 1 108 . 1 1 8 8 ARG CB C 13 33.8 0.5 . 1 . . . . 8 ARG CB . 16387 1 109 . 1 1 8 8 ARG CD C 13 43.4 0.5 . 1 . . . . 8 ARG CD . 16387 1 110 . 1 1 8 8 ARG CG C 13 27.1 0.5 . 1 . . . . 8 ARG CG . 16387 1 111 . 1 1 8 8 ARG N N 15 121.1 0.5 . 1 . . . . 8 ARG N . 16387 1 112 . 1 1 9 9 GLY H H 1 8.63 0.02 . 1 . . . . 9 GLY H . 16387 1 113 . 1 1 9 9 GLY HA2 H 1 4.26 0.02 . 2 . . . . 9 GLY HA2 . 16387 1 114 . 1 1 9 9 GLY HA3 H 1 4.12 0.02 . 2 . . . . 9 GLY HA3 . 16387 1 115 . 1 1 9 9 GLY C C 13 171.2 0.5 . 1 . . . . 9 GLY C . 16387 1 116 . 1 1 9 9 GLY CA C 13 45.2 0.5 . 1 . . . . 9 GLY CA . 16387 1 117 . 1 1 9 9 GLY N N 15 111.5 0.5 . 1 . . . . 9 GLY N . 16387 1 118 . 1 1 10 10 ASP H H 1 8.23 0.02 . 1 . . . . 10 ASP H . 16387 1 119 . 1 1 10 10 ASP HA H 1 4.71 0.02 . 1 . . . . 10 ASP HA . 16387 1 120 . 1 1 10 10 ASP HB2 H 1 2.60 0.02 . 2 . . . . 10 ASP HB2 . 16387 1 121 . 1 1 10 10 ASP HB3 H 1 2.65 0.02 . 2 . . . . 10 ASP HB3 . 16387 1 122 . 1 1 10 10 ASP C C 13 175.3 0.5 . 1 . . . . 10 ASP C . 16387 1 123 . 1 1 10 10 ASP CA C 13 53.4 0.5 . 1 . . . . 10 ASP CA . 16387 1 124 . 1 1 10 10 ASP CB C 13 41.4 0.5 . 1 . . . . 10 ASP CB . 16387 1 125 . 1 1 10 10 ASP N N 15 117.3 0.5 . 1 . . . . 10 ASP N . 16387 1 126 . 1 1 11 11 ASP H H 1 7.40 0.02 . 1 . . . . 11 ASP H . 16387 1 127 . 1 1 11 11 ASP HA H 1 4.69 0.02 . 1 . . . . 11 ASP HA . 16387 1 128 . 1 1 11 11 ASP HB2 H 1 2.66 0.02 . 2 . . . . 11 ASP HB2 . 16387 1 129 . 1 1 11 11 ASP HB3 H 1 2.46 0.02 . 2 . . . . 11 ASP HB3 . 16387 1 130 . 1 1 11 11 ASP C C 13 175.5 0.5 . 1 . . . . 11 ASP C . 16387 1 131 . 1 1 11 11 ASP CA C 13 52.6 0.5 . 1 . . . . 11 ASP CA . 16387 1 132 . 1 1 11 11 ASP CB C 13 41.5 0.5 . 1 . . . . 11 ASP CB . 16387 1 133 . 1 1 11 11 ASP N N 15 119.0 0.5 . 1 . . . . 11 ASP N . 16387 1 134 . 1 1 12 12 LEU H H 1 8.52 0.02 . 1 . . . . 12 LEU H . 16387 1 135 . 1 1 12 12 LEU HA H 1 3.85 0.02 . 1 . . . . 12 LEU HA . 16387 1 136 . 1 1 12 12 LEU HB2 H 1 1.59 0.02 . 2 . . . . 12 LEU HB2 . 16387 1 137 . 1 1 12 12 LEU HB3 H 1 1.71 0.02 . 2 . . . . 12 LEU HB3 . 16387 1 138 . 1 1 12 12 LEU HD11 H 1 0.85 0.02 . 2 . . . . 12 LEU HD1 . 16387 1 139 . 1 1 12 12 LEU HD12 H 1 0.85 0.02 . 2 . . . . 12 LEU HD1 . 16387 1 140 . 1 1 12 12 LEU HD13 H 1 0.85 0.02 . 2 . . . . 12 LEU HD1 . 16387 1 141 . 1 1 12 12 LEU HD21 H 1 0.96 0.02 . 2 . . . . 12 LEU HD2 . 16387 1 142 . 1 1 12 12 LEU HD22 H 1 0.96 0.02 . 2 . . . . 12 LEU HD2 . 16387 1 143 . 1 1 12 12 LEU HD23 H 1 0.96 0.02 . 2 . . . . 12 LEU HD2 . 16387 1 144 . 1 1 12 12 LEU HG H 1 1.68 0.02 . 1 . . . . 12 LEU HG . 16387 1 145 . 1 1 12 12 LEU C C 13 179.1 0.5 . 1 . . . . 12 LEU C . 16387 1 146 . 1 1 12 12 LEU CA C 13 57.8 0.5 . 1 . . . . 12 LEU CA . 16387 1 147 . 1 1 12 12 LEU CB C 13 41.7 0.5 . 1 . . . . 12 LEU CB . 16387 1 148 . 1 1 12 12 LEU CD1 C 13 23.8 0.5 . 2 . . . . 12 LEU CD1 . 16387 1 149 . 1 1 12 12 LEU CD2 C 13 24.7 0.5 . 2 . . . . 12 LEU CD2 . 16387 1 150 . 1 1 12 12 LEU CG C 13 27.0 0.5 . 1 . . . . 12 LEU CG . 16387 1 151 . 1 1 12 12 LEU N N 15 125.8 0.5 . 1 . . . . 12 LEU N . 16387 1 152 . 1 1 13 13 GLU H H 1 8.14 0.02 . 1 . . . . 13 GLU H . 16387 1 153 . 1 1 13 13 GLU HA H 1 3.98 0.02 . 1 . . . . 13 GLU HA . 16387 1 154 . 1 1 13 13 GLU HB2 H 1 2.07 0.02 . 2 . . . . 13 GLU HB2 . 16387 1 155 . 1 1 13 13 GLU HB3 H 1 1.99 0.02 . 2 . . . . 13 GLU HB3 . 16387 1 156 . 1 1 13 13 GLU HG2 H 1 2.29 0.02 . 2 . . . . 13 GLU HG2 . 16387 1 157 . 1 1 13 13 GLU HG3 H 1 2.30 0.02 . 2 . . . . 13 GLU HG3 . 16387 1 158 . 1 1 13 13 GLU C C 13 178.6 0.5 . 1 . . . . 13 GLU C . 16387 1 159 . 1 1 13 13 GLU CA C 13 59.3 0.5 . 1 . . . . 13 GLU CA . 16387 1 160 . 1 1 13 13 GLU CB C 13 29.1 0.5 . 1 . . . . 13 GLU CB . 16387 1 161 . 1 1 13 13 GLU CG C 13 36.6 0.5 . 1 . . . . 13 GLU CG . 16387 1 162 . 1 1 13 13 GLU N N 15 119.8 0.5 . 1 . . . . 13 GLU N . 16387 1 163 . 1 1 14 14 ALA H H 1 7.46 0.02 . 1 . . . . 14 ALA H . 16387 1 164 . 1 1 14 14 ALA HA H 1 3.38 0.02 . 1 . . . . 14 ALA HA . 16387 1 165 . 1 1 14 14 ALA HB1 H 1 1.25 0.02 . 1 . . . . 14 ALA HB . 16387 1 166 . 1 1 14 14 ALA HB2 H 1 1.25 0.02 . 1 . . . . 14 ALA HB . 16387 1 167 . 1 1 14 14 ALA HB3 H 1 1.25 0.02 . 1 . . . . 14 ALA HB . 16387 1 168 . 1 1 14 14 ALA C C 13 179.3 0.5 . 1 . . . . 14 ALA C . 16387 1 169 . 1 1 14 14 ALA CA C 13 54.4 0.5 . 1 . . . . 14 ALA CA . 16387 1 170 . 1 1 14 14 ALA CB C 13 18.7 0.5 . 1 . . . . 14 ALA CB . 16387 1 171 . 1 1 14 14 ALA N N 15 122.2 0.5 . 1 . . . . 14 ALA N . 16387 1 172 . 1 1 15 15 PHE H H 1 7.38 0.02 . 1 . . . . 15 PHE H . 16387 1 173 . 1 1 15 15 PHE HA H 1 3.85 0.02 . 1 . . . . 15 PHE HA . 16387 1 174 . 1 1 15 15 PHE HB2 H 1 2.91 0.02 . 2 . . . . 15 PHE HB2 . 16387 1 175 . 1 1 15 15 PHE HB3 H 1 3.29 0.02 . 2 . . . . 15 PHE HB3 . 16387 1 176 . 1 1 15 15 PHE HD1 H 1 6.78 0.02 . 3 . . . . 15 PHE HD1 . 16387 1 177 . 1 1 15 15 PHE HD2 H 1 6.78 0.02 . 3 . . . . 15 PHE HD2 . 16387 1 178 . 1 1 15 15 PHE HE1 H 1 6.88 0.02 . 3 . . . . 15 PHE HE1 . 16387 1 179 . 1 1 15 15 PHE HE2 H 1 6.88 0.02 . 3 . . . . 15 PHE HE2 . 16387 1 180 . 1 1 15 15 PHE HZ H 1 6.77 0.02 . 1 . . . . 15 PHE HZ . 16387 1 181 . 1 1 15 15 PHE C C 13 177.0 0.5 . 1 . . . . 15 PHE C . 16387 1 182 . 1 1 15 15 PHE CA C 13 57.7 0.5 . 1 . . . . 15 PHE CA . 16387 1 183 . 1 1 15 15 PHE CB C 13 37.5 0.5 . 1 . . . . 15 PHE CB . 16387 1 184 . 1 1 15 15 PHE CD1 C 13 129.3 0.5 . 1 . . . . 15 PHE CD1 . 16387 1 185 . 1 1 15 15 PHE CE1 C 13 130.7 0.5 . 1 . . . . 15 PHE CE1 . 16387 1 186 . 1 1 15 15 PHE CZ C 13 131.0 0.5 . 1 . . . . 15 PHE CZ . 16387 1 187 . 1 1 15 15 PHE N N 15 115.4 0.5 . 1 . . . . 15 PHE N . 16387 1 188 . 1 1 16 16 GLU H H 1 7.99 0.02 . 1 . . . . 16 GLU H . 16387 1 189 . 1 1 16 16 GLU HA H 1 3.66 0.02 . 1 . . . . 16 GLU HA . 16387 1 190 . 1 1 16 16 GLU HB2 H 1 2.08 0.02 . 2 . . . . 16 GLU HB2 . 16387 1 191 . 1 1 16 16 GLU HB3 H 1 2.00 0.02 . 2 . . . . 16 GLU HB3 . 16387 1 192 . 1 1 16 16 GLU HG2 H 1 2.28 0.02 . 2 . . . . 16 GLU HG2 . 16387 1 193 . 1 1 16 16 GLU HG3 H 1 2.28 0.02 . 2 . . . . 16 GLU HG3 . 16387 1 194 . 1 1 16 16 GLU C C 13 178.7 0.5 . 1 . . . . 16 GLU C . 16387 1 195 . 1 1 16 16 GLU CA C 13 59.8 0.5 . 1 . . . . 16 GLU CA . 16387 1 196 . 1 1 16 16 GLU CB C 13 29.1 0.5 . 1 . . . . 16 GLU CB . 16387 1 197 . 1 1 16 16 GLU CG C 13 35.8 0.5 . 1 . . . . 16 GLU CG . 16387 1 198 . 1 1 16 16 GLU N N 15 118.8 0.5 . 1 . . . . 16 GLU N . 16387 1 199 . 1 1 17 17 LYS H H 1 7.55 0.02 . 1 . . . . 17 LYS H . 16387 1 200 . 1 1 17 17 LYS HA H 1 3.78 0.02 . 1 . . . . 17 LYS HA . 16387 1 201 . 1 1 17 17 LYS HB2 H 1 1.40 0.02 . 2 . . . . 17 LYS HB2 . 16387 1 202 . 1 1 17 17 LYS HB3 H 1 1.57 0.02 . 2 . . . . 17 LYS HB3 . 16387 1 203 . 1 1 17 17 LYS HD2 H 1 1.58 0.02 . 2 . . . . 17 LYS HD2 . 16387 1 204 . 1 1 17 17 LYS HD3 H 1 1.43 0.02 . 2 . . . . 17 LYS HD3 . 16387 1 205 . 1 1 17 17 LYS HE2 H 1 2.80 0.02 . 2 . . . . 17 LYS HE2 . 16387 1 206 . 1 1 17 17 LYS HE3 H 1 2.74 0.02 . 2 . . . . 17 LYS HE3 . 16387 1 207 . 1 1 17 17 LYS HG2 H 1 1.31 0.02 . 2 . . . . 17 LYS HG2 . 16387 1 208 . 1 1 17 17 LYS HG3 H 1 1.50 0.02 . 2 . . . . 17 LYS HG3 . 16387 1 209 . 1 1 17 17 LYS C C 13 179.0 0.5 . 1 . . . . 17 LYS C . 16387 1 210 . 1 1 17 17 LYS CA C 13 59.6 0.5 . 1 . . . . 17 LYS CA . 16387 1 211 . 1 1 17 17 LYS CB C 13 32.4 0.5 . 1 . . . . 17 LYS CB . 16387 1 212 . 1 1 17 17 LYS CD C 13 29.3 0.5 . 1 . . . . 17 LYS CD . 16387 1 213 . 1 1 17 17 LYS CE C 13 42.0 0.5 . 1 . . . . 17 LYS CE . 16387 1 214 . 1 1 17 17 LYS CG C 13 25.8 0.5 . 1 . . . . 17 LYS CG . 16387 1 215 . 1 1 17 17 LYS N N 15 118.2 0.5 . 1 . . . . 17 LYS N . 16387 1 216 . 1 1 18 18 ALA H H 1 8.06 0.02 . 1 . . . . 18 ALA H . 16387 1 217 . 1 1 18 18 ALA HA H 1 3.89 0.02 . 1 . . . . 18 ALA HA . 16387 1 218 . 1 1 18 18 ALA HB1 H 1 0.80 0.02 . 1 . . . . 18 ALA HB . 16387 1 219 . 1 1 18 18 ALA HB2 H 1 0.80 0.02 . 1 . . . . 18 ALA HB . 16387 1 220 . 1 1 18 18 ALA HB3 H 1 0.80 0.02 . 1 . . . . 18 ALA HB . 16387 1 221 . 1 1 18 18 ALA C C 13 178.9 0.5 . 1 . . . . 18 ALA C . 16387 1 222 . 1 1 18 18 ALA CA C 13 54.8 0.5 . 1 . . . . 18 ALA CA . 16387 1 223 . 1 1 18 18 ALA CB C 13 17.1 0.5 . 1 . . . . 18 ALA CB . 16387 1 224 . 1 1 18 18 ALA N N 15 122.4 0.5 . 1 . . . . 18 ALA N . 16387 1 225 . 1 1 19 19 LEU H H 1 8.28 0.02 . 1 . . . . 19 LEU H . 16387 1 226 . 1 1 19 19 LEU HA H 1 3.69 0.02 . 1 . . . . 19 LEU HA . 16387 1 227 . 1 1 19 19 LEU HB2 H 1 1.63 0.02 . 2 . . . . 19 LEU HB2 . 16387 1 228 . 1 1 19 19 LEU HB3 H 1 1.13 0.02 . 2 . . . . 19 LEU HB3 . 16387 1 229 . 1 1 19 19 LEU HD11 H 1 0.35 0.02 . 1 . . . . 19 LEU HD1 . 16387 1 230 . 1 1 19 19 LEU HD12 H 1 0.35 0.02 . 1 . . . . 19 LEU HD1 . 16387 1 231 . 1 1 19 19 LEU HD13 H 1 0.35 0.02 . 1 . . . . 19 LEU HD1 . 16387 1 232 . 1 1 19 19 LEU HD21 H 1 0.12 0.02 . 1 . . . . 19 LEU HD2 . 16387 1 233 . 1 1 19 19 LEU HD22 H 1 0.12 0.02 . 1 . . . . 19 LEU HD2 . 16387 1 234 . 1 1 19 19 LEU HD23 H 1 0.12 0.02 . 1 . . . . 19 LEU HD2 . 16387 1 235 . 1 1 19 19 LEU HG H 1 1.16 0.02 . 1 . . . . 19 LEU HG . 16387 1 236 . 1 1 19 19 LEU C C 13 177.7 0.5 . 1 . . . . 19 LEU C . 16387 1 237 . 1 1 19 19 LEU CA C 13 57.9 0.5 . 1 . . . . 19 LEU CA . 16387 1 238 . 1 1 19 19 LEU CB C 13 41.7 0.5 . 1 . . . . 19 LEU CB . 16387 1 239 . 1 1 19 19 LEU CD1 C 13 22.8 0.5 . 1 . . . . 19 LEU CD1 . 16387 1 240 . 1 1 19 19 LEU CD2 C 13 24.6 0.5 . 1 . . . . 19 LEU CD2 . 16387 1 241 . 1 1 19 19 LEU CG C 13 26.2 0.5 . 1 . . . . 19 LEU CG . 16387 1 242 . 1 1 19 19 LEU N N 15 118.7 0.5 . 1 . . . . 19 LEU N . 16387 1 243 . 1 1 20 20 LYS H H 1 7.76 0.02 . 1 . . . . 20 LYS H . 16387 1 244 . 1 1 20 20 LYS HA H 1 3.78 0.02 . 1 . . . . 20 LYS HA . 16387 1 245 . 1 1 20 20 LYS HB2 H 1 1.85 0.02 . 2 . . . . 20 LYS HB2 . 16387 1 246 . 1 1 20 20 LYS HB3 H 1 1.79 0.02 . 2 . . . . 20 LYS HB3 . 16387 1 247 . 1 1 20 20 LYS HD2 H 1 1.59 0.02 . 2 . . . . 20 LYS HD2 . 16387 1 248 . 1 1 20 20 LYS HD3 H 1 1.59 0.02 . 2 . . . . 20 LYS HD3 . 16387 1 249 . 1 1 20 20 LYS HE2 H 1 2.80 0.02 . 2 . . . . 20 LYS HE2 . 16387 1 250 . 1 1 20 20 LYS HE3 H 1 2.80 0.02 . 2 . . . . 20 LYS HE3 . 16387 1 251 . 1 1 20 20 LYS HG2 H 1 1.33 0.02 . 2 . . . . 20 LYS HG2 . 16387 1 252 . 1 1 20 20 LYS HG3 H 1 1.53 0.02 . 2 . . . . 20 LYS HG3 . 16387 1 253 . 1 1 20 20 LYS C C 13 179.7 0.5 . 1 . . . . 20 LYS C . 16387 1 254 . 1 1 20 20 LYS CA C 13 60.0 0.5 . 1 . . . . 20 LYS CA . 16387 1 255 . 1 1 20 20 LYS CB C 13 32.4 0.5 . 1 . . . . 20 LYS CB . 16387 1 256 . 1 1 20 20 LYS CD C 13 29.4 0.5 . 1 . . . . 20 LYS CD . 16387 1 257 . 1 1 20 20 LYS CE C 13 41.8 0.5 . 1 . . . . 20 LYS CE . 16387 1 258 . 1 1 20 20 LYS CG C 13 25.8 0.5 . 1 . . . . 20 LYS CG . 16387 1 259 . 1 1 20 20 LYS N N 15 116.6 0.5 . 1 . . . . 20 LYS N . 16387 1 260 . 1 1 21 21 GLU H H 1 7.75 0.02 . 1 . . . . 21 GLU H . 16387 1 261 . 1 1 21 21 GLU HA H 1 4.30 0.02 . 1 . . . . 21 GLU HA . 16387 1 262 . 1 1 21 21 GLU HB2 H 1 2.07 0.02 . 2 . . . . 21 GLU HB2 . 16387 1 263 . 1 1 21 21 GLU HB3 H 1 2.11 0.02 . 2 . . . . 21 GLU HB3 . 16387 1 264 . 1 1 21 21 GLU HG2 H 1 2.26 0.02 . 2 . . . . 21 GLU HG2 . 16387 1 265 . 1 1 21 21 GLU HG3 H 1 2.49 0.02 . 2 . . . . 21 GLU HG3 . 16387 1 266 . 1 1 21 21 GLU C C 13 178.5 0.5 . 1 . . . . 21 GLU C . 16387 1 267 . 1 1 21 21 GLU CA C 13 58.4 0.5 . 1 . . . . 21 GLU CA . 16387 1 268 . 1 1 21 21 GLU CB C 13 29.1 0.5 . 1 . . . . 21 GLU CB . 16387 1 269 . 1 1 21 21 GLU CG C 13 35.6 0.5 . 1 . . . . 21 GLU CG . 16387 1 270 . 1 1 21 21 GLU N N 15 118.7 0.5 . 1 . . . . 21 GLU N . 16387 1 271 . 1 1 22 22 MET H H 1 8.30 0.02 . 1 . . . . 22 MET H . 16387 1 272 . 1 1 22 22 MET HA H 1 4.39 0.02 . 1 . . . . 22 MET HA . 16387 1 273 . 1 1 22 22 MET HB2 H 1 1.92 0.02 . 2 . . . . 22 MET HB2 . 16387 1 274 . 1 1 22 22 MET HB3 H 1 2.27 0.02 . 2 . . . . 22 MET HB3 . 16387 1 275 . 1 1 22 22 MET HE1 H 1 1.98 0.02 . 1 . . . . 22 MET HE . 16387 1 276 . 1 1 22 22 MET HE2 H 1 1.98 0.02 . 1 . . . . 22 MET HE . 16387 1 277 . 1 1 22 22 MET HE3 H 1 1.98 0.02 . 1 . . . . 22 MET HE . 16387 1 278 . 1 1 22 22 MET HG2 H 1 2.60 0.02 . 2 . . . . 22 MET HG2 . 16387 1 279 . 1 1 22 22 MET HG3 H 1 2.75 0.02 . 2 . . . . 22 MET HG3 . 16387 1 280 . 1 1 22 22 MET C C 13 178.8 0.5 . 1 . . . . 22 MET C . 16387 1 281 . 1 1 22 22 MET CA C 13 57.3 0.5 . 1 . . . . 22 MET CA . 16387 1 282 . 1 1 22 22 MET CB C 13 31.2 0.5 . 1 . . . . 22 MET CB . 16387 1 283 . 1 1 22 22 MET CE C 13 17.0 0.5 . 1 . . . . 22 MET CE . 16387 1 284 . 1 1 22 22 MET CG C 13 32.5 0.5 . 1 . . . . 22 MET CG . 16387 1 285 . 1 1 22 22 MET N N 15 119.1 0.5 . 1 . . . . 22 MET N . 16387 1 286 . 1 1 23 23 ILE H H 1 8.46 0.02 . 1 . . . . 23 ILE H . 16387 1 287 . 1 1 23 23 ILE HA H 1 3.55 0.02 . 1 . . . . 23 ILE HA . 16387 1 288 . 1 1 23 23 ILE HB H 1 1.82 0.02 . 1 . . . . 23 ILE HB . 16387 1 289 . 1 1 23 23 ILE HD11 H 1 0.69 0.02 . 1 . . . . 23 ILE HD1 . 16387 1 290 . 1 1 23 23 ILE HD12 H 1 0.69 0.02 . 1 . . . . 23 ILE HD1 . 16387 1 291 . 1 1 23 23 ILE HD13 H 1 0.69 0.02 . 1 . . . . 23 ILE HD1 . 16387 1 292 . 1 1 23 23 ILE HG12 H 1 1.72 0.02 . 2 . . . . 23 ILE HG12 . 16387 1 293 . 1 1 23 23 ILE HG13 H 1 0.88 0.02 . 2 . . . . 23 ILE HG13 . 16387 1 294 . 1 1 23 23 ILE HG21 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 16387 1 295 . 1 1 23 23 ILE HG22 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 16387 1 296 . 1 1 23 23 ILE HG23 H 1 0.85 0.02 . 1 . . . . 23 ILE HG2 . 16387 1 297 . 1 1 23 23 ILE C C 13 177.6 0.5 . 1 . . . . 23 ILE C . 16387 1 298 . 1 1 23 23 ILE CA C 13 66.1 0.5 . 1 . . . . 23 ILE CA . 16387 1 299 . 1 1 23 23 ILE CB C 13 37.7 0.5 . 1 . . . . 23 ILE CB . 16387 1 300 . 1 1 23 23 ILE CD1 C 13 13.3 0.5 . 1 . . . . 23 ILE CD1 . 16387 1 301 . 1 1 23 23 ILE CG1 C 13 30.2 0.5 . 1 . . . . 23 ILE CG1 . 16387 1 302 . 1 1 23 23 ILE CG2 C 13 16.9 0.5 . 1 . . . . 23 ILE CG2 . 16387 1 303 . 1 1 23 23 ILE N N 15 120.2 0.5 . 1 . . . . 23 ILE N . 16387 1 304 . 1 1 24 24 ARG H H 1 7.72 0.02 . 1 . . . . 24 ARG H . 16387 1 305 . 1 1 24 24 ARG HA H 1 3.89 0.02 . 1 . . . . 24 ARG HA . 16387 1 306 . 1 1 24 24 ARG HB2 H 1 1.93 0.02 . 2 . . . . 24 ARG HB2 . 16387 1 307 . 1 1 24 24 ARG HB3 H 1 2.01 0.02 . 2 . . . . 24 ARG HB3 . 16387 1 308 . 1 1 24 24 ARG HD2 H 1 3.26 0.02 . 2 . . . . 24 ARG HD2 . 16387 1 309 . 1 1 24 24 ARG HD3 H 1 3.18 0.02 . 2 . . . . 24 ARG HD3 . 16387 1 310 . 1 1 24 24 ARG HG2 H 1 1.48 0.02 . 2 . . . . 24 ARG HG2 . 16387 1 311 . 1 1 24 24 ARG HG3 H 1 1.72 0.02 . 2 . . . . 24 ARG HG3 . 16387 1 312 . 1 1 24 24 ARG C C 13 179.4 0.5 . 1 . . . . 24 ARG C . 16387 1 313 . 1 1 24 24 ARG CA C 13 59.9 0.5 . 1 . . . . 24 ARG CA . 16387 1 314 . 1 1 24 24 ARG CB C 13 30.2 0.5 . 1 . . . . 24 ARG CB . 16387 1 315 . 1 1 24 24 ARG CD C 13 43.4 0.5 . 1 . . . . 24 ARG CD . 16387 1 316 . 1 1 24 24 ARG CG C 13 27.7 0.5 . 1 . . . . 24 ARG CG . 16387 1 317 . 1 1 24 24 ARG N N 15 120.2 0.5 . 1 . . . . 24 ARG N . 16387 1 318 . 1 1 25 25 GLN H H 1 8.19 0.02 . 1 . . . . 25 GLN H . 16387 1 319 . 1 1 25 25 GLN HA H 1 3.93 0.02 . 1 . . . . 25 GLN HA . 16387 1 320 . 1 1 25 25 GLN HB2 H 1 2.06 0.02 . 2 . . . . 25 GLN HB2 . 16387 1 321 . 1 1 25 25 GLN HB3 H 1 2.22 0.02 . 2 . . . . 25 GLN HB3 . 16387 1 322 . 1 1 25 25 GLN HE21 H 1 7.75 0.02 . 2 . . . . 25 GLN HE21 . 16387 1 323 . 1 1 25 25 GLN HE22 H 1 6.76 0.02 . 2 . . . . 25 GLN HE22 . 16387 1 324 . 1 1 25 25 GLN HG2 H 1 2.32 0.02 . 2 . . . . 25 GLN HG2 . 16387 1 325 . 1 1 25 25 GLN HG3 H 1 2.63 0.02 . 2 . . . . 25 GLN HG3 . 16387 1 326 . 1 1 25 25 GLN C C 13 177.6 0.5 . 1 . . . . 25 GLN C . 16387 1 327 . 1 1 25 25 GLN CA C 13 58.0 0.5 . 1 . . . . 25 GLN CA . 16387 1 328 . 1 1 25 25 GLN CB C 13 27.8 0.5 . 1 . . . . 25 GLN CB . 16387 1 329 . 1 1 25 25 GLN CG C 13 33.0 0.5 . 1 . . . . 25 GLN CG . 16387 1 330 . 1 1 25 25 GLN N N 15 117.1 0.5 . 1 . . . . 25 GLN N . 16387 1 331 . 1 1 25 25 GLN NE2 N 15 111.6 0.5 . 1 . . . . 25 GLN NE2 . 16387 1 332 . 1 1 26 26 ALA H H 1 8.24 0.02 . 1 . . . . 26 ALA H . 16387 1 333 . 1 1 26 26 ALA HA H 1 3.69 0.02 . 1 . . . . 26 ALA HA . 16387 1 334 . 1 1 26 26 ALA HB1 H 1 1.22 0.02 . 1 . . . . 26 ALA HB . 16387 1 335 . 1 1 26 26 ALA HB2 H 1 1.22 0.02 . 1 . . . . 26 ALA HB . 16387 1 336 . 1 1 26 26 ALA HB3 H 1 1.22 0.02 . 1 . . . . 26 ALA HB . 16387 1 337 . 1 1 26 26 ALA C C 13 179.4 0.5 . 1 . . . . 26 ALA C . 16387 1 338 . 1 1 26 26 ALA CA C 13 54.2 0.5 . 1 . . . . 26 ALA CA . 16387 1 339 . 1 1 26 26 ALA CB C 13 18.3 0.5 . 1 . . . . 26 ALA CB . 16387 1 340 . 1 1 26 26 ALA N N 15 120.3 0.5 . 1 . . . . 26 ALA N . 16387 1 341 . 1 1 27 27 ARG H H 1 8.08 0.02 . 1 . . . . 27 ARG H . 16387 1 342 . 1 1 27 27 ARG HA H 1 4.07 0.02 . 1 . . . . 27 ARG HA . 16387 1 343 . 1 1 27 27 ARG HB2 H 1 1.87 0.02 . 2 . . . . 27 ARG HB2 . 16387 1 344 . 1 1 27 27 ARG HB3 H 1 1.87 0.02 . 2 . . . . 27 ARG HB3 . 16387 1 345 . 1 1 27 27 ARG HD2 H 1 3.18 0.02 . 2 . . . . 27 ARG HD2 . 16387 1 346 . 1 1 27 27 ARG HD3 H 1 3.18 0.02 . 2 . . . . 27 ARG HD3 . 16387 1 347 . 1 1 27 27 ARG HG2 H 1 1.70 0.02 . 2 . . . . 27 ARG HG2 . 16387 1 348 . 1 1 27 27 ARG HG3 H 1 1.83 0.02 . 2 . . . . 27 ARG HG3 . 16387 1 349 . 1 1 27 27 ARG C C 13 178.9 0.5 . 1 . . . . 27 ARG C . 16387 1 350 . 1 1 27 27 ARG CA C 13 58.5 0.5 . 1 . . . . 27 ARG CA . 16387 1 351 . 1 1 27 27 ARG CB C 13 29.7 0.5 . 1 . . . . 27 ARG CB . 16387 1 352 . 1 1 27 27 ARG CD C 13 43.4 0.5 . 1 . . . . 27 ARG CD . 16387 1 353 . 1 1 27 27 ARG CG C 13 27.7 0.5 . 1 . . . . 27 ARG CG . 16387 1 354 . 1 1 27 27 ARG N N 15 117.5 0.5 . 1 . . . . 27 ARG N . 16387 1 355 . 1 1 28 28 LYS H H 1 7.52 0.02 . 1 . . . . 28 LYS H . 16387 1 356 . 1 1 28 28 LYS HA H 1 4.00 0.02 . 1 . . . . 28 LYS HA . 16387 1 357 . 1 1 28 28 LYS HB2 H 1 1.72 0.02 . 2 . . . . 28 LYS HB2 . 16387 1 358 . 1 1 28 28 LYS HB3 H 1 1.72 0.02 . 2 . . . . 28 LYS HB3 . 16387 1 359 . 1 1 28 28 LYS HD2 H 1 1.55 0.02 . 2 . . . . 28 LYS HD2 . 16387 1 360 . 1 1 28 28 LYS HD3 H 1 1.61 0.02 . 2 . . . . 28 LYS HD3 . 16387 1 361 . 1 1 28 28 LYS HE2 H 1 2.85 0.02 . 2 . . . . 28 LYS HE2 . 16387 1 362 . 1 1 28 28 LYS HE3 H 1 2.81 0.02 . 2 . . . . 28 LYS HE3 . 16387 1 363 . 1 1 28 28 LYS HG2 H 1 1.16 0.02 . 2 . . . . 28 LYS HG2 . 16387 1 364 . 1 1 28 28 LYS HG3 H 1 1.40 0.02 . 2 . . . . 28 LYS HG3 . 16387 1 365 . 1 1 28 28 LYS C C 13 176.9 0.5 . 1 . . . . 28 LYS C . 16387 1 366 . 1 1 28 28 LYS CA C 13 58.6 0.5 . 1 . . . . 28 LYS CA . 16387 1 367 . 1 1 28 28 LYS CB C 13 32.1 0.5 . 1 . . . . 28 LYS CB . 16387 1 368 . 1 1 28 28 LYS CD C 13 29.2 0.5 . 1 . . . . 28 LYS CD . 16387 1 369 . 1 1 28 28 LYS CE C 13 41.8 0.5 . 1 . . . . 28 LYS CE . 16387 1 370 . 1 1 28 28 LYS CG C 13 24.9 0.5 . 1 . . . . 28 LYS CG . 16387 1 371 . 1 1 28 28 LYS N N 15 119.1 0.5 . 1 . . . . 28 LYS N . 16387 1 372 . 1 1 29 29 PHE H H 1 7.01 0.02 . 1 . . . . 29 PHE H . 16387 1 373 . 1 1 29 29 PHE HA H 1 4.93 0.02 . 1 . . . . 29 PHE HA . 16387 1 374 . 1 1 29 29 PHE HB2 H 1 3.08 0.02 . 2 . . . . 29 PHE HB2 . 16387 1 375 . 1 1 29 29 PHE HB3 H 1 3.19 0.02 . 2 . . . . 29 PHE HB3 . 16387 1 376 . 1 1 29 29 PHE HD1 H 1 7.26 0.02 . 3 . . . . 29 PHE HD1 . 16387 1 377 . 1 1 29 29 PHE HD2 H 1 7.26 0.02 . 3 . . . . 29 PHE HD2 . 16387 1 378 . 1 1 29 29 PHE HE1 H 1 7.23 0.02 . 3 . . . . 29 PHE HE1 . 16387 1 379 . 1 1 29 29 PHE HE2 H 1 7.23 0.02 . 3 . . . . 29 PHE HE2 . 16387 1 380 . 1 1 29 29 PHE HZ H 1 7.14 0.02 . 1 . . . . 29 PHE HZ . 16387 1 381 . 1 1 29 29 PHE C C 13 173.6 0.5 . 1 . . . . 29 PHE C . 16387 1 382 . 1 1 29 29 PHE CA C 13 55.8 0.5 . 1 . . . . 29 PHE CA . 16387 1 383 . 1 1 29 29 PHE CB C 13 39.0 0.5 . 1 . . . . 29 PHE CB . 16387 1 384 . 1 1 29 29 PHE CD1 C 13 133.1 0.5 . 1 . . . . 29 PHE CD1 . 16387 1 385 . 1 1 29 29 PHE CE1 C 13 131.3 0.5 . 1 . . . . 29 PHE CE1 . 16387 1 386 . 1 1 29 29 PHE CZ C 13 129.6 0.5 . 1 . . . . 29 PHE CZ . 16387 1 387 . 1 1 29 29 PHE N N 15 114.5 0.5 . 1 . . . . 29 PHE N . 16387 1 388 . 1 1 30 30 ALA H H 1 7.83 0.02 . 1 . . . . 30 ALA H . 16387 1 389 . 1 1 30 30 ALA HA H 1 4.13 0.02 . 1 . . . . 30 ALA HA . 16387 1 390 . 1 1 30 30 ALA HB1 H 1 1.47 0.02 . 1 . . . . 30 ALA HB . 16387 1 391 . 1 1 30 30 ALA HB2 H 1 1.47 0.02 . 1 . . . . 30 ALA HB . 16387 1 392 . 1 1 30 30 ALA HB3 H 1 1.47 0.02 . 1 . . . . 30 ALA HB . 16387 1 393 . 1 1 30 30 ALA C C 13 176.7 0.5 . 1 . . . . 30 ALA C . 16387 1 394 . 1 1 30 30 ALA CA C 13 52.9 0.5 . 1 . . . . 30 ALA CA . 16387 1 395 . 1 1 30 30 ALA CB C 13 17.0 0.5 . 1 . . . . 30 ALA CB . 16387 1 396 . 1 1 30 30 ALA N N 15 121.6 0.5 . 1 . . . . 30 ALA N . 16387 1 397 . 1 1 31 31 GLY H H 1 7.95 0.02 . 1 . . . . 31 GLY H . 16387 1 398 . 1 1 31 31 GLY HA2 H 1 3.43 0.02 . 2 . . . . 31 GLY HA2 . 16387 1 399 . 1 1 31 31 GLY HA3 H 1 4.44 0.02 . 2 . . . . 31 GLY HA3 . 16387 1 400 . 1 1 31 31 GLY C C 13 173.1 0.5 . 1 . . . . 31 GLY C . 16387 1 401 . 1 1 31 31 GLY CA C 13 45.1 0.5 . 1 . . . . 31 GLY CA . 16387 1 402 . 1 1 31 31 GLY N N 15 105.4 0.5 . 1 . . . . 31 GLY N . 16387 1 403 . 1 1 32 32 THR H H 1 8.22 0.02 . 1 . . . . 32 THR H . 16387 1 404 . 1 1 32 32 THR HA H 1 4.58 0.02 . 1 . . . . 32 THR HA . 16387 1 405 . 1 1 32 32 THR HB H 1 4.08 0.02 . 1 . . . . 32 THR HB . 16387 1 406 . 1 1 32 32 THR HG21 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 16387 1 407 . 1 1 32 32 THR HG22 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 16387 1 408 . 1 1 32 32 THR HG23 H 1 1.14 0.02 . 1 . . . . 32 THR HG2 . 16387 1 409 . 1 1 32 32 THR C C 13 173.1 0.5 . 1 . . . . 32 THR C . 16387 1 410 . 1 1 32 32 THR CA C 13 61.9 0.5 . 1 . . . . 32 THR CA . 16387 1 411 . 1 1 32 32 THR CB C 13 70.5 0.5 . 1 . . . . 32 THR CB . 16387 1 412 . 1 1 32 32 THR CG2 C 13 21.5 0.5 . 1 . . . . 32 THR CG2 . 16387 1 413 . 1 1 32 32 THR N N 15 115.7 0.5 . 1 . . . . 32 THR N . 16387 1 414 . 1 1 33 33 VAL H H 1 8.61 0.02 . 1 . . . . 33 VAL H . 16387 1 415 . 1 1 33 33 VAL HA H 1 5.15 0.02 . 1 . . . . 33 VAL HA . 16387 1 416 . 1 1 33 33 VAL HB H 1 1.94 0.02 . 1 . . . . 33 VAL HB . 16387 1 417 . 1 1 33 33 VAL HG11 H 1 0.81 0.02 . 1 . . . . 33 VAL HG1 . 16387 1 418 . 1 1 33 33 VAL HG12 H 1 0.81 0.02 . 1 . . . . 33 VAL HG1 . 16387 1 419 . 1 1 33 33 VAL HG13 H 1 0.81 0.02 . 1 . . . . 33 VAL HG1 . 16387 1 420 . 1 1 33 33 VAL HG21 H 1 0.82 0.02 . 1 . . . . 33 VAL HG2 . 16387 1 421 . 1 1 33 33 VAL HG22 H 1 0.82 0.02 . 1 . . . . 33 VAL HG2 . 16387 1 422 . 1 1 33 33 VAL HG23 H 1 0.82 0.02 . 1 . . . . 33 VAL HG2 . 16387 1 423 . 1 1 33 33 VAL C C 13 175.3 0.5 . 1 . . . . 33 VAL C . 16387 1 424 . 1 1 33 33 VAL CA C 13 60.8 0.5 . 1 . . . . 33 VAL CA . 16387 1 425 . 1 1 33 33 VAL CB C 13 34.3 0.5 . 1 . . . . 33 VAL CB . 16387 1 426 . 1 1 33 33 VAL CG1 C 13 21.4 0.5 . 1 . . . . 33 VAL CG1 . 16387 1 427 . 1 1 33 33 VAL CG2 C 13 22.3 0.5 . 1 . . . . 33 VAL CG2 . 16387 1 428 . 1 1 33 33 VAL N N 15 125.3 0.5 . 1 . . . . 33 VAL N . 16387 1 429 . 1 1 34 34 THR H H 1 8.89 0.02 . 1 . . . . 34 THR H . 16387 1 430 . 1 1 34 34 THR HA H 1 4.67 0.02 . 1 . . . . 34 THR HA . 16387 1 431 . 1 1 34 34 THR HB H 1 4.16 0.02 . 1 . . . . 34 THR HB . 16387 1 432 . 1 1 34 34 THR HG21 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 16387 1 433 . 1 1 34 34 THR HG22 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 16387 1 434 . 1 1 34 34 THR HG23 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 16387 1 435 . 1 1 34 34 THR CA C 13 60.2 0.5 . 1 . . . . 34 THR CA . 16387 1 436 . 1 1 34 34 THR CB C 13 71.6 0.5 . 1 . . . . 34 THR CB . 16387 1 437 . 1 1 34 34 THR CG2 C 13 21.6 0.5 . 1 . . . . 34 THR CG2 . 16387 1 438 . 1 1 34 34 THR N N 15 120.2 0.5 . 1 . . . . 34 THR N . 16387 1 439 . 1 1 35 35 TYR H H 1 8.36 0.02 . 1 . . . . 35 TYR H . 16387 1 440 . 1 1 35 35 TYR HA H 1 5.72 0.02 . 1 . . . . 35 TYR HA . 16387 1 441 . 1 1 35 35 TYR HB2 H 1 2.77 0.02 . 2 . . . . 35 TYR HB2 . 16387 1 442 . 1 1 35 35 TYR HB3 H 1 2.89 0.02 . 2 . . . . 35 TYR HB3 . 16387 1 443 . 1 1 35 35 TYR HD1 H 1 6.68 0.02 . 3 . . . . 35 TYR HD1 . 16387 1 444 . 1 1 35 35 TYR HD2 H 1 6.68 0.02 . 3 . . . . 35 TYR HD2 . 16387 1 445 . 1 1 35 35 TYR HE1 H 1 6.69 0.02 . 3 . . . . 35 TYR HE1 . 16387 1 446 . 1 1 35 35 TYR HE2 H 1 6.69 0.02 . 3 . . . . 35 TYR HE2 . 16387 1 447 . 1 1 35 35 TYR C C 13 174.4 0.5 . 1 . . . . 35 TYR C . 16387 1 448 . 1 1 35 35 TYR CA C 13 56.2 0.5 . 1 . . . . 35 TYR CA . 16387 1 449 . 1 1 35 35 TYR CB C 13 41.8 0.5 . 1 . . . . 35 TYR CB . 16387 1 450 . 1 1 35 35 TYR CD1 C 13 133.4 0.5 . 1 . . . . 35 TYR CD1 . 16387 1 451 . 1 1 35 35 TYR CE1 C 13 118.0 0.5 . 1 . . . . 35 TYR CE1 . 16387 1 452 . 1 1 35 35 TYR N N 15 118.1 0.5 . 1 . . . . 35 TYR N . 16387 1 453 . 1 1 36 36 THR H H 1 9.02 0.02 . 1 . . . . 36 THR H . 16387 1 454 . 1 1 36 36 THR HA H 1 4.40 0.02 . 1 . . . . 36 THR HA . 16387 1 455 . 1 1 36 36 THR HB H 1 3.99 0.02 . 1 . . . . 36 THR HB . 16387 1 456 . 1 1 36 36 THR HG21 H 1 1.12 0.02 . 1 . . . . 36 THR HG2 . 16387 1 457 . 1 1 36 36 THR HG22 H 1 1.12 0.02 . 1 . . . . 36 THR HG2 . 16387 1 458 . 1 1 36 36 THR HG23 H 1 1.12 0.02 . 1 . . . . 36 THR HG2 . 16387 1 459 . 1 1 36 36 THR CA C 13 60.2 0.5 . 1 . . . . 36 THR CA . 16387 1 460 . 1 1 36 36 THR CB C 13 71.8 0.5 . 1 . . . . 36 THR CB . 16387 1 461 . 1 1 36 36 THR CG2 C 13 21.4 0.5 . 1 . . . . 36 THR CG2 . 16387 1 462 . 1 1 36 36 THR N N 15 115.2 0.5 . 1 . . . . 36 THR N . 16387 1 463 . 1 1 37 37 LEU H H 1 8.85 0.02 . 1 . . . . 37 LEU H . 16387 1 464 . 1 1 37 37 LEU HA H 1 5.02 0.02 . 1 . . . . 37 LEU HA . 16387 1 465 . 1 1 37 37 LEU HB2 H 1 1.43 0.02 . 2 . . . . 37 LEU HB2 . 16387 1 466 . 1 1 37 37 LEU HB3 H 1 1.92 0.02 . 2 . . . . 37 LEU HB3 . 16387 1 467 . 1 1 37 37 LEU HD11 H 1 0.89 0.02 . 1 . . . . 37 LEU HD1 . 16387 1 468 . 1 1 37 37 LEU HD12 H 1 0.89 0.02 . 1 . . . . 37 LEU HD1 . 16387 1 469 . 1 1 37 37 LEU HD13 H 1 0.89 0.02 . 1 . . . . 37 LEU HD1 . 16387 1 470 . 1 1 37 37 LEU HD21 H 1 0.96 0.02 . 1 . . . . 37 LEU HD2 . 16387 1 471 . 1 1 37 37 LEU HD22 H 1 0.96 0.02 . 1 . . . . 37 LEU HD2 . 16387 1 472 . 1 1 37 37 LEU HD23 H 1 0.96 0.02 . 1 . . . . 37 LEU HD2 . 16387 1 473 . 1 1 37 37 LEU HG H 1 1.56 0.02 . 1 . . . . 37 LEU HG . 16387 1 474 . 1 1 37 37 LEU C C 13 174.9 0.5 . 1 . . . . 37 LEU C . 16387 1 475 . 1 1 37 37 LEU CA C 13 54.4 0.5 . 1 . . . . 37 LEU CA . 16387 1 476 . 1 1 37 37 LEU CB C 13 43.8 0.5 . 1 . . . . 37 LEU CB . 16387 1 477 . 1 1 37 37 LEU CD1 C 13 24.8 0.5 . 1 . . . . 37 LEU CD1 . 16387 1 478 . 1 1 37 37 LEU CD2 C 13 25.1 0.5 . 1 . . . . 37 LEU CD2 . 16387 1 479 . 1 1 37 37 LEU CG C 13 27.9 0.5 . 1 . . . . 37 LEU CG . 16387 1 480 . 1 1 37 37 LEU N N 15 129.3 0.5 . 1 . . . . 37 LEU N . 16387 1 481 . 1 1 38 38 ASP H H 1 8.74 0.02 . 1 . . . . 38 ASP H . 16387 1 482 . 1 1 38 38 ASP HA H 1 4.85 0.02 . 1 . . . . 38 ASP HA . 16387 1 483 . 1 1 38 38 ASP HB2 H 1 2.77 0.02 . 2 . . . . 38 ASP HB2 . 16387 1 484 . 1 1 38 38 ASP HB3 H 1 2.52 0.02 . 2 . . . . 38 ASP HB3 . 16387 1 485 . 1 1 38 38 ASP CA C 13 53.0 0.5 . 1 . . . . 38 ASP CA . 16387 1 486 . 1 1 38 38 ASP CB C 13 42.3 0.5 . 1 . . . . 38 ASP CB . 16387 1 487 . 1 1 38 38 ASP N N 15 127.2 0.5 . 1 . . . . 38 ASP N . 16387 1 488 . 1 1 39 39 GLY H H 1 8.70 0.02 . 1 . . . . 39 GLY H . 16387 1 489 . 1 1 39 39 GLY HA2 H 1 3.67 0.02 . 2 . . . . 39 GLY HA2 . 16387 1 490 . 1 1 39 39 GLY HA3 H 1 3.98 0.02 . 2 . . . . 39 GLY HA3 . 16387 1 491 . 1 1 39 39 GLY C C 13 174.0 0.5 . 1 . . . . 39 GLY C . 16387 1 492 . 1 1 39 39 GLY CA C 13 47.4 0.5 . 1 . . . . 39 GLY CA . 16387 1 493 . 1 1 39 39 GLY N N 15 114.0 0.5 . 1 . . . . 39 GLY N . 16387 1 494 . 1 1 40 40 ASN H H 1 8.74 0.02 . 1 . . . . 40 ASN H . 16387 1 495 . 1 1 40 40 ASN HA H 1 5.07 0.02 . 1 . . . . 40 ASN HA . 16387 1 496 . 1 1 40 40 ASN HB2 H 1 2.72 0.02 . 2 . . . . 40 ASN HB2 . 16387 1 497 . 1 1 40 40 ASN HB3 H 1 3.22 0.02 . 2 . . . . 40 ASN HB3 . 16387 1 498 . 1 1 40 40 ASN HD21 H 1 6.85 0.02 . 2 . . . . 40 ASN HD21 . 16387 1 499 . 1 1 40 40 ASN HD22 H 1 7.51 0.02 . 2 . . . . 40 ASN HD22 . 16387 1 500 . 1 1 40 40 ASN C C 13 173.1 0.5 . 1 . . . . 40 ASN C . 16387 1 501 . 1 1 40 40 ASN CA C 13 53.2 0.5 . 1 . . . . 40 ASN CA . 16387 1 502 . 1 1 40 40 ASN CB C 13 39.3 0.5 . 1 . . . . 40 ASN CB . 16387 1 503 . 1 1 40 40 ASN N N 15 124.4 0.5 . 1 . . . . 40 ASN N . 16387 1 504 . 1 1 40 40 ASN ND2 N 15 110.9 0.5 . 1 . . . . 40 ASN ND2 . 16387 1 505 . 1 1 41 41 ASP H H 1 7.98 0.02 . 1 . . . . 41 ASP H . 16387 1 506 . 1 1 41 41 ASP HA H 1 5.41 0.02 . 1 . . . . 41 ASP HA . 16387 1 507 . 1 1 41 41 ASP HB2 H 1 2.77 0.02 . 2 . . . . 41 ASP HB2 . 16387 1 508 . 1 1 41 41 ASP HB3 H 1 2.53 0.02 . 2 . . . . 41 ASP HB3 . 16387 1 509 . 1 1 41 41 ASP C C 13 173.6 0.5 . 1 . . . . 41 ASP C . 16387 1 510 . 1 1 41 41 ASP CA C 13 53.7 0.5 . 1 . . . . 41 ASP CA . 16387 1 511 . 1 1 41 41 ASP CB C 13 43.8 0.5 . 1 . . . . 41 ASP CB . 16387 1 512 . 1 1 41 41 ASP N N 15 118.5 0.5 . 1 . . . . 41 ASP N . 16387 1 513 . 1 1 42 42 LEU H H 1 8.52 0.02 . 1 . . . . 42 LEU H . 16387 1 514 . 1 1 42 42 LEU HA H 1 4.96 0.02 . 1 . . . . 42 LEU HA . 16387 1 515 . 1 1 42 42 LEU HB2 H 1 1.33 0.02 . 2 . . . . 42 LEU HB2 . 16387 1 516 . 1 1 42 42 LEU HB3 H 1 1.31 0.02 . 2 . . . . 42 LEU HB3 . 16387 1 517 . 1 1 42 42 LEU HD11 H 1 0.78 0.02 . 1 . . . . 42 LEU HD1 . 16387 1 518 . 1 1 42 42 LEU HD12 H 1 0.78 0.02 . 1 . . . . 42 LEU HD1 . 16387 1 519 . 1 1 42 42 LEU HD13 H 1 0.78 0.02 . 1 . . . . 42 LEU HD1 . 16387 1 520 . 1 1 42 42 LEU HD21 H 1 0.61 0.02 . 1 . . . . 42 LEU HD2 . 16387 1 521 . 1 1 42 42 LEU HD22 H 1 0.61 0.02 . 1 . . . . 42 LEU HD2 . 16387 1 522 . 1 1 42 42 LEU HD23 H 1 0.61 0.02 . 1 . . . . 42 LEU HD2 . 16387 1 523 . 1 1 42 42 LEU HG H 1 1.41 0.02 . 1 . . . . 42 LEU HG . 16387 1 524 . 1 1 42 42 LEU C C 13 173.6 0.5 . 1 . . . . 42 LEU C . 16387 1 525 . 1 1 42 42 LEU CA C 13 53.4 0.5 . 1 . . . . 42 LEU CA . 16387 1 526 . 1 1 42 42 LEU CB C 13 43.7 0.5 . 1 . . . . 42 LEU CB . 16387 1 527 . 1 1 42 42 LEU CD1 C 13 23.3 0.5 . 1 . . . . 42 LEU CD1 . 16387 1 528 . 1 1 42 42 LEU CD2 C 13 27.1 0.5 . 1 . . . . 42 LEU CD2 . 16387 1 529 . 1 1 42 42 LEU CG C 13 27.6 0.5 . 1 . . . . 42 LEU CG . 16387 1 530 . 1 1 42 42 LEU N N 15 125.1 0.5 . 1 . . . . 42 LEU N . 16387 1 531 . 1 1 43 43 GLU H H 1 8.99 0.02 . 1 . . . . 43 GLU H . 16387 1 532 . 1 1 43 43 GLU HA H 1 5.28 0.02 . 1 . . . . 43 GLU HA . 16387 1 533 . 1 1 43 43 GLU HB2 H 1 2.04 0.02 . 2 . . . . 43 GLU HB2 . 16387 1 534 . 1 1 43 43 GLU HB3 H 1 1.86 0.02 . 2 . . . . 43 GLU HB3 . 16387 1 535 . 1 1 43 43 GLU HG2 H 1 1.96 0.02 . 2 . . . . 43 GLU HG2 . 16387 1 536 . 1 1 43 43 GLU HG3 H 1 2.07 0.02 . 2 . . . . 43 GLU HG3 . 16387 1 537 . 1 1 43 43 GLU C C 13 174.9 0.5 . 1 . . . . 43 GLU C . 16387 1 538 . 1 1 43 43 GLU CA C 13 54.5 0.5 . 1 . . . . 43 GLU CA . 16387 1 539 . 1 1 43 43 GLU CB C 13 32.0 0.5 . 1 . . . . 43 GLU CB . 16387 1 540 . 1 1 43 43 GLU CG C 13 36.7 0.5 . 1 . . . . 43 GLU CG . 16387 1 541 . 1 1 43 43 GLU N N 15 127.8 0.5 . 1 . . . . 43 GLU N . 16387 1 542 . 1 1 44 44 ILE H H 1 9.59 0.02 . 1 . . . . 44 ILE H . 16387 1 543 . 1 1 44 44 ILE HA H 1 4.76 0.02 . 1 . . . . 44 ILE HA . 16387 1 544 . 1 1 44 44 ILE HB H 1 1.78 0.02 . 1 . . . . 44 ILE HB . 16387 1 545 . 1 1 44 44 ILE HD11 H 1 0.83 0.02 . 1 . . . . 44 ILE HD1 . 16387 1 546 . 1 1 44 44 ILE HD12 H 1 0.83 0.02 . 1 . . . . 44 ILE HD1 . 16387 1 547 . 1 1 44 44 ILE HD13 H 1 0.83 0.02 . 1 . . . . 44 ILE HD1 . 16387 1 548 . 1 1 44 44 ILE HG12 H 1 1.64 0.02 . 2 . . . . 44 ILE HG12 . 16387 1 549 . 1 1 44 44 ILE HG13 H 1 0.84 0.02 . 2 . . . . 44 ILE HG13 . 16387 1 550 . 1 1 44 44 ILE HG21 H 1 0.85 0.02 . 1 . . . . 44 ILE HG2 . 16387 1 551 . 1 1 44 44 ILE HG22 H 1 0.85 0.02 . 1 . . . . 44 ILE HG2 . 16387 1 552 . 1 1 44 44 ILE HG23 H 1 0.85 0.02 . 1 . . . . 44 ILE HG2 . 16387 1 553 . 1 1 44 44 ILE C C 13 173.8 0.5 . 1 . . . . 44 ILE C . 16387 1 554 . 1 1 44 44 ILE CA C 13 60.0 0.5 . 1 . . . . 44 ILE CA . 16387 1 555 . 1 1 44 44 ILE CB C 13 41.2 0.5 . 1 . . . . 44 ILE CB . 16387 1 556 . 1 1 44 44 ILE CD1 C 13 15.0 0.5 . 1 . . . . 44 ILE CD1 . 16387 1 557 . 1 1 44 44 ILE CG1 C 13 27.6 0.5 . 1 . . . . 44 ILE CG1 . 16387 1 558 . 1 1 44 44 ILE CG2 C 13 17.7 0.5 . 1 . . . . 44 ILE CG2 . 16387 1 559 . 1 1 44 44 ILE N N 15 126.3 0.5 . 1 . . . . 44 ILE N . 16387 1 560 . 1 1 45 45 ARG H H 1 9.13 0.02 . 1 . . . . 45 ARG H . 16387 1 561 . 1 1 45 45 ARG HA H 1 5.25 0.02 . 1 . . . . 45 ARG HA . 16387 1 562 . 1 1 45 45 ARG HB2 H 1 1.64 0.02 . 2 . . . . 45 ARG HB2 . 16387 1 563 . 1 1 45 45 ARG HB3 H 1 1.76 0.02 . 2 . . . . 45 ARG HB3 . 16387 1 564 . 1 1 45 45 ARG HD2 H 1 2.96 0.02 . 2 . . . . 45 ARG HD2 . 16387 1 565 . 1 1 45 45 ARG HD3 H 1 3.04 0.02 . 2 . . . . 45 ARG HD3 . 16387 1 566 . 1 1 45 45 ARG HE H 1 7.48 0.02 . 1 . . . . 45 ARG HE . 16387 1 567 . 1 1 45 45 ARG HG2 H 1 1.43 0.02 . 2 . . . . 45 ARG HG2 . 16387 1 568 . 1 1 45 45 ARG HG3 H 1 1.48 0.02 . 2 . . . . 45 ARG HG3 . 16387 1 569 . 1 1 45 45 ARG C C 13 175.3 0.5 . 1 . . . . 45 ARG C . 16387 1 570 . 1 1 45 45 ARG CA C 13 55.0 0.5 . 1 . . . . 45 ARG CA . 16387 1 571 . 1 1 45 45 ARG CB C 13 31.7 0.5 . 1 . . . . 45 ARG CB . 16387 1 572 . 1 1 45 45 ARG CD C 13 43.4 0.5 . 1 . . . . 45 ARG CD . 16387 1 573 . 1 1 45 45 ARG CG C 13 27.0 0.5 . 1 . . . . 45 ARG CG . 16387 1 574 . 1 1 45 45 ARG N N 15 127.8 0.5 . 1 . . . . 45 ARG N . 16387 1 575 . 1 1 45 45 ARG NE N 15 85.4 0.5 . 1 . . . . 45 ARG NE . 16387 1 576 . 1 1 46 46 ILE H H 1 9.18 0.02 . 1 . . . . 46 ILE H . 16387 1 577 . 1 1 46 46 ILE HA H 1 5.15 0.02 . 1 . . . . 46 ILE HA . 16387 1 578 . 1 1 46 46 ILE HB H 1 1.78 0.02 . 1 . . . . 46 ILE HB . 16387 1 579 . 1 1 46 46 ILE HD11 H 1 0.84 0.02 . 1 . . . . 46 ILE HD1 . 16387 1 580 . 1 1 46 46 ILE HD12 H 1 0.84 0.02 . 1 . . . . 46 ILE HD1 . 16387 1 581 . 1 1 46 46 ILE HD13 H 1 0.84 0.02 . 1 . . . . 46 ILE HD1 . 16387 1 582 . 1 1 46 46 ILE HG12 H 1 0.94 0.02 . 2 . . . . 46 ILE HG12 . 16387 1 583 . 1 1 46 46 ILE HG13 H 1 1.70 0.02 . 2 . . . . 46 ILE HG13 . 16387 1 584 . 1 1 46 46 ILE HG21 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 16387 1 585 . 1 1 46 46 ILE HG22 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 16387 1 586 . 1 1 46 46 ILE HG23 H 1 0.90 0.02 . 1 . . . . 46 ILE HG2 . 16387 1 587 . 1 1 46 46 ILE C C 13 175.6 0.5 . 1 . . . . 46 ILE C . 16387 1 588 . 1 1 46 46 ILE CA C 13 60.1 0.5 . 1 . . . . 46 ILE CA . 16387 1 589 . 1 1 46 46 ILE CB C 13 39.9 0.5 . 1 . . . . 46 ILE CB . 16387 1 590 . 1 1 46 46 ILE CD1 C 13 14.6 0.5 . 1 . . . . 46 ILE CD1 . 16387 1 591 . 1 1 46 46 ILE CG1 C 13 28.0 0.5 . 1 . . . . 46 ILE CG1 . 16387 1 592 . 1 1 46 46 ILE CG2 C 13 18.3 0.5 . 1 . . . . 46 ILE CG2 . 16387 1 593 . 1 1 46 46 ILE N N 15 125.8 0.5 . 1 . . . . 46 ILE N . 16387 1 594 . 1 1 47 47 THR H H 1 9.02 0.02 . 1 . . . . 47 THR H . 16387 1 595 . 1 1 47 47 THR HA H 1 5.01 0.02 . 1 . . . . 47 THR HA . 16387 1 596 . 1 1 47 47 THR HB H 1 4.30 0.02 . 1 . . . . 47 THR HB . 16387 1 597 . 1 1 47 47 THR HG21 H 1 1.13 0.02 . 1 . . . . 47 THR HG2 . 16387 1 598 . 1 1 47 47 THR HG22 H 1 1.13 0.02 . 1 . . . . 47 THR HG2 . 16387 1 599 . 1 1 47 47 THR HG23 H 1 1.13 0.02 . 1 . . . . 47 THR HG2 . 16387 1 600 . 1 1 47 47 THR C C 13 174.3 0.5 . 1 . . . . 47 THR C . 16387 1 601 . 1 1 47 47 THR CA C 13 60.1 0.5 . 1 . . . . 47 THR CA . 16387 1 602 . 1 1 47 47 THR CB C 13 70.9 0.5 . 1 . . . . 47 THR CB . 16387 1 603 . 1 1 47 47 THR CG2 C 13 21.4 0.5 . 1 . . . . 47 THR CG2 . 16387 1 604 . 1 1 47 47 THR N N 15 118.8 0.5 . 1 . . . . 47 THR N . 16387 1 605 . 1 1 48 48 GLY H H 1 8.35 0.02 . 1 . . . . 48 GLY H . 16387 1 606 . 1 1 48 48 GLY HA2 H 1 4.27 0.02 . 2 . . . . 48 GLY HA2 . 16387 1 607 . 1 1 48 48 GLY HA3 H 1 3.88 0.02 . 2 . . . . 48 GLY HA3 . 16387 1 608 . 1 1 48 48 GLY C C 13 174.7 0.5 . 1 . . . . 48 GLY C . 16387 1 609 . 1 1 48 48 GLY CA C 13 46.2 0.5 . 1 . . . . 48 GLY CA . 16387 1 610 . 1 1 48 48 GLY N N 15 109.0 0.5 . 1 . . . . 48 GLY N . 16387 1 611 . 1 1 49 49 VAL H H 1 7.76 0.02 . 1 . . . . 49 VAL H . 16387 1 612 . 1 1 49 49 VAL HA H 1 4.26 0.02 . 1 . . . . 49 VAL HA . 16387 1 613 . 1 1 49 49 VAL HB H 1 1.82 0.02 . 1 . . . . 49 VAL HB . 16387 1 614 . 1 1 49 49 VAL HG11 H 1 0.65 0.02 . 1 . . . . 49 VAL HG1 . 16387 1 615 . 1 1 49 49 VAL HG12 H 1 0.65 0.02 . 1 . . . . 49 VAL HG1 . 16387 1 616 . 1 1 49 49 VAL HG13 H 1 0.65 0.02 . 1 . . . . 49 VAL HG1 . 16387 1 617 . 1 1 49 49 VAL HG21 H 1 0.68 0.02 . 1 . . . . 49 VAL HG2 . 16387 1 618 . 1 1 49 49 VAL HG22 H 1 0.68 0.02 . 1 . . . . 49 VAL HG2 . 16387 1 619 . 1 1 49 49 VAL HG23 H 1 0.68 0.02 . 1 . . . . 49 VAL HG2 . 16387 1 620 . 1 1 49 49 VAL CA C 13 58.2 0.5 . 1 . . . . 49 VAL CA . 16387 1 621 . 1 1 49 49 VAL CB C 13 32.5 0.5 . 1 . . . . 49 VAL CB . 16387 1 622 . 1 1 49 49 VAL CG1 C 13 21.4 0.5 . 1 . . . . 49 VAL CG1 . 16387 1 623 . 1 1 49 49 VAL CG2 C 13 20.0 0.5 . 1 . . . . 49 VAL CG2 . 16387 1 624 . 1 1 49 49 VAL N N 15 114.2 0.5 . 1 . . . . 49 VAL N . 16387 1 625 . 1 1 50 50 PRO HA H 1 4.58 0.02 . 1 . . . . 50 PRO HA . 16387 1 626 . 1 1 50 50 PRO HB2 H 1 2.45 0.02 . 2 . . . . 50 PRO HB2 . 16387 1 627 . 1 1 50 50 PRO HB3 H 1 1.90 0.02 . 2 . . . . 50 PRO HB3 . 16387 1 628 . 1 1 50 50 PRO HD2 H 1 3.00 0.02 . 2 . . . . 50 PRO HD2 . 16387 1 629 . 1 1 50 50 PRO HD3 H 1 3.98 0.02 . 2 . . . . 50 PRO HD3 . 16387 1 630 . 1 1 50 50 PRO HG2 H 1 1.94 0.02 . 2 . . . . 50 PRO HG2 . 16387 1 631 . 1 1 50 50 PRO HG3 H 1 2.06 0.02 . 2 . . . . 50 PRO HG3 . 16387 1 632 . 1 1 50 50 PRO C C 13 177.2 0.5 . 1 . . . . 50 PRO C . 16387 1 633 . 1 1 50 50 PRO CA C 13 61.8 0.5 . 1 . . . . 50 PRO CA . 16387 1 634 . 1 1 50 50 PRO CB C 13 32.5 0.5 . 1 . . . . 50 PRO CB . 16387 1 635 . 1 1 50 50 PRO CD C 13 50.8 0.5 . 1 . . . . 50 PRO CD . 16387 1 636 . 1 1 50 50 PRO CG C 13 27.5 0.5 . 1 . . . . 50 PRO CG . 16387 1 637 . 1 1 51 51 GLU H H 1 8.89 0.02 . 1 . . . . 51 GLU H . 16387 1 638 . 1 1 51 51 GLU HA H 1 4.00 0.02 . 1 . . . . 51 GLU HA . 16387 1 639 . 1 1 51 51 GLU HB2 H 1 1.96 0.02 . 2 . . . . 51 GLU HB2 . 16387 1 640 . 1 1 51 51 GLU HB3 H 1 2.09 0.02 . 2 . . . . 51 GLU HB3 . 16387 1 641 . 1 1 51 51 GLU HG2 H 1 2.29 0.02 . 2 . . . . 51 GLU HG2 . 16387 1 642 . 1 1 51 51 GLU HG3 H 1 2.34 0.02 . 2 . . . . 51 GLU HG3 . 16387 1 643 . 1 1 51 51 GLU C C 13 178.5 0.5 . 1 . . . . 51 GLU C . 16387 1 644 . 1 1 51 51 GLU CA C 13 59.5 0.5 . 1 . . . . 51 GLU CA . 16387 1 645 . 1 1 51 51 GLU CB C 13 29.3 0.5 . 1 . . . . 51 GLU CB . 16387 1 646 . 1 1 51 51 GLU CG C 13 35.8 0.5 . 1 . . . . 51 GLU CG . 16387 1 647 . 1 1 51 51 GLU N N 15 123.4 0.5 . 1 . . . . 51 GLU N . 16387 1 648 . 1 1 52 52 GLN H H 1 8.91 0.02 . 1 . . . . 52 GLN H . 16387 1 649 . 1 1 52 52 GLN HA H 1 4.10 0.02 . 1 . . . . 52 GLN HA . 16387 1 650 . 1 1 52 52 GLN HB2 H 1 2.08 0.02 . 2 . . . . 52 GLN HB2 . 16387 1 651 . 1 1 52 52 GLN HB3 H 1 2.08 0.02 . 2 . . . . 52 GLN HB3 . 16387 1 652 . 1 1 52 52 GLN HE21 H 1 7.63 0.02 . 2 . . . . 52 GLN HE21 . 16387 1 653 . 1 1 52 52 GLN HE22 H 1 6.91 0.02 . 2 . . . . 52 GLN HE22 . 16387 1 654 . 1 1 52 52 GLN HG2 H 1 2.42 0.02 . 2 . . . . 52 GLN HG2 . 16387 1 655 . 1 1 52 52 GLN HG3 H 1 2.46 0.02 . 2 . . . . 52 GLN HG3 . 16387 1 656 . 1 1 52 52 GLN C C 13 177.3 0.5 . 1 . . . . 52 GLN C . 16387 1 657 . 1 1 52 52 GLN CA C 13 58.6 0.5 . 1 . . . . 52 GLN CA . 16387 1 658 . 1 1 52 52 GLN CB C 13 27.7 0.5 . 1 . . . . 52 GLN CB . 16387 1 659 . 1 1 52 52 GLN CG C 13 33.6 0.5 . 1 . . . . 52 GLN CG . 16387 1 660 . 1 1 52 52 GLN N N 15 115.2 0.5 . 1 . . . . 52 GLN N . 16387 1 661 . 1 1 52 52 GLN NE2 N 15 112.3 0.5 . 1 . . . . 52 GLN NE2 . 16387 1 662 . 1 1 53 53 VAL H H 1 7.08 0.02 . 1 . . . . 53 VAL H . 16387 1 663 . 1 1 53 53 VAL HA H 1 4.12 0.02 . 1 . . . . 53 VAL HA . 16387 1 664 . 1 1 53 53 VAL HB H 1 1.85 0.02 . 1 . . . . 53 VAL HB . 16387 1 665 . 1 1 53 53 VAL HG11 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 16387 1 666 . 1 1 53 53 VAL HG12 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 16387 1 667 . 1 1 53 53 VAL HG13 H 1 0.61 0.02 . 1 . . . . 53 VAL HG1 . 16387 1 668 . 1 1 53 53 VAL HG21 H 1 0.66 0.02 . 1 . . . . 53 VAL HG2 . 16387 1 669 . 1 1 53 53 VAL HG22 H 1 0.66 0.02 . 1 . . . . 53 VAL HG2 . 16387 1 670 . 1 1 53 53 VAL HG23 H 1 0.66 0.02 . 1 . . . . 53 VAL HG2 . 16387 1 671 . 1 1 53 53 VAL C C 13 176.1 0.5 . 1 . . . . 53 VAL C . 16387 1 672 . 1 1 53 53 VAL CA C 13 62.1 0.5 . 1 . . . . 53 VAL CA . 16387 1 673 . 1 1 53 53 VAL CB C 13 31.9 0.5 . 1 . . . . 53 VAL CB . 16387 1 674 . 1 1 53 53 VAL CG1 C 13 21.0 0.5 . 1 . . . . 53 VAL CG1 . 16387 1 675 . 1 1 53 53 VAL CG2 C 13 21.0 0.5 . 1 . . . . 53 VAL CG2 . 16387 1 676 . 1 1 53 53 VAL N N 15 114.9 0.5 . 1 . . . . 53 VAL N . 16387 1 677 . 1 1 54 54 ARG H H 1 7.51 0.02 . 1 . . . . 54 ARG H . 16387 1 678 . 1 1 54 54 ARG HA H 1 3.62 0.02 . 1 . . . . 54 ARG HA . 16387 1 679 . 1 1 54 54 ARG HB2 H 1 1.82 0.02 . 2 . . . . 54 ARG HB2 . 16387 1 680 . 1 1 54 54 ARG HB3 H 1 1.83 0.02 . 2 . . . . 54 ARG HB3 . 16387 1 681 . 1 1 54 54 ARG HD2 H 1 3.11 0.02 . 2 . . . . 54 ARG HD2 . 16387 1 682 . 1 1 54 54 ARG HD3 H 1 3.11 0.02 . 2 . . . . 54 ARG HD3 . 16387 1 683 . 1 1 54 54 ARG HG2 H 1 1.56 0.02 . 2 . . . . 54 ARG HG2 . 16387 1 684 . 1 1 54 54 ARG HG3 H 1 1.56 0.02 . 2 . . . . 54 ARG HG3 . 16387 1 685 . 1 1 54 54 ARG C C 13 177.1 0.5 . 1 . . . . 54 ARG C . 16387 1 686 . 1 1 54 54 ARG CA C 13 60.4 0.5 . 1 . . . . 54 ARG CA . 16387 1 687 . 1 1 54 54 ARG CB C 13 29.7 0.5 . 1 . . . . 54 ARG CB . 16387 1 688 . 1 1 54 54 ARG CD C 13 43.4 0.5 . 1 . . . . 54 ARG CD . 16387 1 689 . 1 1 54 54 ARG CG C 13 26.7 0.5 . 1 . . . . 54 ARG CG . 16387 1 690 . 1 1 54 54 ARG N N 15 121.5 0.5 . 1 . . . . 54 ARG N . 16387 1 691 . 1 1 55 55 LYS H H 1 8.17 0.02 . 1 . . . . 55 LYS H . 16387 1 692 . 1 1 55 55 LYS HA H 1 3.89 0.02 . 1 . . . . 55 LYS HA . 16387 1 693 . 1 1 55 55 LYS HB2 H 1 1.78 0.02 . 2 . . . . 55 LYS HB2 . 16387 1 694 . 1 1 55 55 LYS HB3 H 1 1.82 0.02 . 2 . . . . 55 LYS HB3 . 16387 1 695 . 1 1 55 55 LYS HD2 H 1 1.67 0.02 . 2 . . . . 55 LYS HD2 . 16387 1 696 . 1 1 55 55 LYS HD3 H 1 1.67 0.02 . 2 . . . . 55 LYS HD3 . 16387 1 697 . 1 1 55 55 LYS HE2 H 1 2.96 0.02 . 2 . . . . 55 LYS HE2 . 16387 1 698 . 1 1 55 55 LYS HE3 H 1 2.97 0.02 . 2 . . . . 55 LYS HE3 . 16387 1 699 . 1 1 55 55 LYS HG2 H 1 1.36 0.02 . 2 . . . . 55 LYS HG2 . 16387 1 700 . 1 1 55 55 LYS HG3 H 1 1.49 0.02 . 2 . . . . 55 LYS HG3 . 16387 1 701 . 1 1 55 55 LYS C C 13 176.0 0.5 . 1 . . . . 55 LYS C . 16387 1 702 . 1 1 55 55 LYS CA C 13 59.6 0.5 . 1 . . . . 55 LYS CA . 16387 1 703 . 1 1 55 55 LYS CB C 13 31.8 0.5 . 1 . . . . 55 LYS CB . 16387 1 704 . 1 1 55 55 LYS CD C 13 29.2 0.5 . 1 . . . . 55 LYS CD . 16387 1 705 . 1 1 55 55 LYS CE C 13 42.0 0.5 . 1 . . . . 55 LYS CE . 16387 1 706 . 1 1 55 55 LYS CG C 13 25.3 0.5 . 1 . . . . 55 LYS CG . 16387 1 707 . 1 1 55 55 LYS N N 15 116.8 0.5 . 1 . . . . 55 LYS N . 16387 1 708 . 1 1 56 56 GLU H H 1 7.60 0.02 . 1 . . . . 56 GLU H . 16387 1 709 . 1 1 56 56 GLU HA H 1 4.05 0.02 . 1 . . . . 56 GLU HA . 16387 1 710 . 1 1 56 56 GLU HB2 H 1 2.07 0.02 . 2 . . . . 56 GLU HB2 . 16387 1 711 . 1 1 56 56 GLU HB3 H 1 2.08 0.02 . 2 . . . . 56 GLU HB3 . 16387 1 712 . 1 1 56 56 GLU HG2 H 1 2.34 0.02 . 2 . . . . 56 GLU HG2 . 16387 1 713 . 1 1 56 56 GLU HG3 H 1 2.34 0.02 . 2 . . . . 56 GLU HG3 . 16387 1 714 . 1 1 56 56 GLU CA C 13 59.1 0.5 . 1 . . . . 56 GLU CA . 16387 1 715 . 1 1 56 56 GLU CB C 13 29.2 0.5 . 1 . . . . 56 GLU CB . 16387 1 716 . 1 1 56 56 GLU CG C 13 36.0 0.5 . 1 . . . . 56 GLU CG . 16387 1 717 . 1 1 56 56 GLU N N 15 120.2 0.5 . 1 . . . . 56 GLU N . 16387 1 718 . 1 1 57 57 LEU H H 1 7.98 0.02 . 1 . . . . 57 LEU H . 16387 1 719 . 1 1 57 57 LEU HA H 1 3.97 0.02 . 1 . . . . 57 LEU HA . 16387 1 720 . 1 1 57 57 LEU HB2 H 1 1.68 0.02 . 2 . . . . 57 LEU HB2 . 16387 1 721 . 1 1 57 57 LEU HB3 H 1 1.24 0.02 . 2 . . . . 57 LEU HB3 . 16387 1 722 . 1 1 57 57 LEU HD11 H 1 0.82 0.02 . 1 . . . . 57 LEU HD1 . 16387 1 723 . 1 1 57 57 LEU HD12 H 1 0.82 0.02 . 1 . . . . 57 LEU HD1 . 16387 1 724 . 1 1 57 57 LEU HD13 H 1 0.82 0.02 . 1 . . . . 57 LEU HD1 . 16387 1 725 . 1 1 57 57 LEU HD21 H 1 0.84 0.02 . 1 . . . . 57 LEU HD2 . 16387 1 726 . 1 1 57 57 LEU HD22 H 1 0.84 0.02 . 1 . . . . 57 LEU HD2 . 16387 1 727 . 1 1 57 57 LEU HD23 H 1 0.84 0.02 . 1 . . . . 57 LEU HD2 . 16387 1 728 . 1 1 57 57 LEU HG H 1 1.66 0.02 . 1 . . . . 57 LEU HG . 16387 1 729 . 1 1 57 57 LEU C C 13 178.3 0.5 . 1 . . . . 57 LEU C . 16387 1 730 . 1 1 57 57 LEU CA C 13 57.7 0.5 . 1 . . . . 57 LEU CA . 16387 1 731 . 1 1 57 57 LEU CB C 13 42.0 0.5 . 1 . . . . 57 LEU CB . 16387 1 732 . 1 1 57 57 LEU CD1 C 13 26.0 0.5 . 1 . . . . 57 LEU CD1 . 16387 1 733 . 1 1 57 57 LEU CD2 C 13 23.9 0.5 . 1 . . . . 57 LEU CD2 . 16387 1 734 . 1 1 57 57 LEU CG C 13 27.0 0.5 . 1 . . . . 57 LEU CG . 16387 1 735 . 1 1 57 57 LEU N N 15 120.2 0.5 . 1 . . . . 57 LEU N . 16387 1 736 . 1 1 58 58 ALA H H 1 7.82 0.02 . 1 . . . . 58 ALA H . 16387 1 737 . 1 1 58 58 ALA HA H 1 3.40 0.02 . 1 . . . . 58 ALA HA . 16387 1 738 . 1 1 58 58 ALA HB1 H 1 1.04 0.02 . 1 . . . . 58 ALA HB . 16387 1 739 . 1 1 58 58 ALA HB2 H 1 1.04 0.02 . 1 . . . . 58 ALA HB . 16387 1 740 . 1 1 58 58 ALA HB3 H 1 1.04 0.02 . 1 . . . . 58 ALA HB . 16387 1 741 . 1 1 58 58 ALA C C 13 178.6 0.5 . 1 . . . . 58 ALA C . 16387 1 742 . 1 1 58 58 ALA CA C 13 55.2 0.5 . 1 . . . . 58 ALA CA . 16387 1 743 . 1 1 58 58 ALA CB C 13 17.6 0.5 . 1 . . . . 58 ALA CB . 16387 1 744 . 1 1 58 58 ALA N N 15 120.6 0.5 . 1 . . . . 58 ALA N . 16387 1 745 . 1 1 59 59 LYS H H 1 7.63 0.02 . 1 . . . . 59 LYS H . 16387 1 746 . 1 1 59 59 LYS HA H 1 3.99 0.02 . 1 . . . . 59 LYS HA . 16387 1 747 . 1 1 59 59 LYS HB2 H 1 1.93 0.02 . 2 . . . . 59 LYS HB2 . 16387 1 748 . 1 1 59 59 LYS HB3 H 1 1.93 0.02 . 2 . . . . 59 LYS HB3 . 16387 1 749 . 1 1 59 59 LYS HD2 H 1 1.67 0.02 . 2 . . . . 59 LYS HD2 . 16387 1 750 . 1 1 59 59 LYS HD3 H 1 1.67 0.02 . 2 . . . . 59 LYS HD3 . 16387 1 751 . 1 1 59 59 LYS HE2 H 1 2.95 0.02 . 2 . . . . 59 LYS HE2 . 16387 1 752 . 1 1 59 59 LYS HE3 H 1 2.95 0.02 . 2 . . . . 59 LYS HE3 . 16387 1 753 . 1 1 59 59 LYS HG2 H 1 1.45 0.02 . 2 . . . . 59 LYS HG2 . 16387 1 754 . 1 1 59 59 LYS HG3 H 1 1.59 0.02 . 2 . . . . 59 LYS HG3 . 16387 1 755 . 1 1 59 59 LYS C C 13 179.9 0.5 . 1 . . . . 59 LYS C . 16387 1 756 . 1 1 59 59 LYS CA C 13 59.4 0.5 . 1 . . . . 59 LYS CA . 16387 1 757 . 1 1 59 59 LYS CB C 13 32.0 0.5 . 1 . . . . 59 LYS CB . 16387 1 758 . 1 1 59 59 LYS CD C 13 29.2 0.5 . 1 . . . . 59 LYS CD . 16387 1 759 . 1 1 59 59 LYS CE C 13 41.8 0.5 . 1 . . . . 59 LYS CE . 16387 1 760 . 1 1 59 59 LYS CG C 13 24.9 0.5 . 1 . . . . 59 LYS CG . 16387 1 761 . 1 1 59 59 LYS N N 15 116.6 0.5 . 1 . . . . 59 LYS N . 16387 1 762 . 1 1 60 60 GLU H H 1 7.95 0.02 . 1 . . . . 60 GLU H . 16387 1 763 . 1 1 60 60 GLU HA H 1 4.39 0.02 . 1 . . . . 60 GLU HA . 16387 1 764 . 1 1 60 60 GLU HB2 H 1 2.09 0.02 . 2 . . . . 60 GLU HB2 . 16387 1 765 . 1 1 60 60 GLU HB3 H 1 2.00 0.02 . 2 . . . . 60 GLU HB3 . 16387 1 766 . 1 1 60 60 GLU HG2 H 1 2.30 0.02 . 2 . . . . 60 GLU HG2 . 16387 1 767 . 1 1 60 60 GLU HG3 H 1 2.40 0.02 . 2 . . . . 60 GLU HG3 . 16387 1 768 . 1 1 60 60 GLU C C 13 178.1 0.5 . 1 . . . . 60 GLU C . 16387 1 769 . 1 1 60 60 GLU CA C 13 58.1 0.5 . 1 . . . . 60 GLU CA . 16387 1 770 . 1 1 60 60 GLU CB C 13 28.8 0.5 . 1 . . . . 60 GLU CB . 16387 1 771 . 1 1 60 60 GLU CG C 13 34.9 0.5 . 1 . . . . 60 GLU CG . 16387 1 772 . 1 1 60 60 GLU N N 15 120.7 0.5 . 1 . . . . 60 GLU N . 16387 1 773 . 1 1 61 61 ALA H H 1 8.30 0.02 . 1 . . . . 61 ALA H . 16387 1 774 . 1 1 61 61 ALA HA H 1 4.16 0.02 . 1 . . . . 61 ALA HA . 16387 1 775 . 1 1 61 61 ALA HB1 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 16387 1 776 . 1 1 61 61 ALA HB2 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 16387 1 777 . 1 1 61 61 ALA HB3 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 16387 1 778 . 1 1 61 61 ALA C C 13 179.1 0.5 . 1 . . . . 61 ALA C . 16387 1 779 . 1 1 61 61 ALA CA C 13 56.0 0.5 . 1 . . . . 61 ALA CA . 16387 1 780 . 1 1 61 61 ALA CB C 13 17.3 0.5 . 1 . . . . 61 ALA CB . 16387 1 781 . 1 1 61 61 ALA N N 15 122.4 0.5 . 1 . . . . 61 ALA N . 16387 1 782 . 1 1 62 62 GLU H H 1 8.10 0.02 . 1 . . . . 62 GLU H . 16387 1 783 . 1 1 62 62 GLU HA H 1 4.04 0.02 . 1 . . . . 62 GLU HA . 16387 1 784 . 1 1 62 62 GLU HB2 H 1 2.09 0.02 . 2 . . . . 62 GLU HB2 . 16387 1 785 . 1 1 62 62 GLU HB3 H 1 2.18 0.02 . 2 . . . . 62 GLU HB3 . 16387 1 786 . 1 1 62 62 GLU HG2 H 1 2.34 0.02 . 2 . . . . 62 GLU HG2 . 16387 1 787 . 1 1 62 62 GLU HG3 H 1 2.63 0.02 . 2 . . . . 62 GLU HG3 . 16387 1 788 . 1 1 62 62 GLU C C 13 179.2 0.5 . 1 . . . . 62 GLU C . 16387 1 789 . 1 1 62 62 GLU CA C 13 59.2 0.5 . 1 . . . . 62 GLU CA . 16387 1 790 . 1 1 62 62 GLU CB C 13 29.3 0.5 . 1 . . . . 62 GLU CB . 16387 1 791 . 1 1 62 62 GLU CG C 13 36.6 0.5 . 1 . . . . 62 GLU CG . 16387 1 792 . 1 1 62 62 GLU N N 15 115.6 0.5 . 1 . . . . 62 GLU N . 16387 1 793 . 1 1 63 63 ARG H H 1 8.25 0.02 . 1 . . . . 63 ARG H . 16387 1 794 . 1 1 63 63 ARG HA H 1 4.04 0.02 . 1 . . . . 63 ARG HA . 16387 1 795 . 1 1 63 63 ARG HB2 H 1 2.13 0.02 . 2 . . . . 63 ARG HB2 . 16387 1 796 . 1 1 63 63 ARG HB3 H 1 1.93 0.02 . 2 . . . . 63 ARG HB3 . 16387 1 797 . 1 1 63 63 ARG HD2 H 1 3.06 0.02 . 2 . . . . 63 ARG HD2 . 16387 1 798 . 1 1 63 63 ARG HD3 H 1 3.29 0.02 . 2 . . . . 63 ARG HD3 . 16387 1 799 . 1 1 63 63 ARG HG2 H 1 1.52 0.02 . 2 . . . . 63 ARG HG2 . 16387 1 800 . 1 1 63 63 ARG HG3 H 1 1.70 0.02 . 2 . . . . 63 ARG HG3 . 16387 1 801 . 1 1 63 63 ARG C C 13 179.1 0.5 . 1 . . . . 63 ARG C . 16387 1 802 . 1 1 63 63 ARG CA C 13 59.6 0.5 . 1 . . . . 63 ARG CA . 16387 1 803 . 1 1 63 63 ARG CB C 13 29.8 0.5 . 1 . . . . 63 ARG CB . 16387 1 804 . 1 1 63 63 ARG CD C 13 42.7 0.5 . 1 . . . . 63 ARG CD . 16387 1 805 . 1 1 63 63 ARG CG C 13 27.0 0.5 . 1 . . . . 63 ARG CG . 16387 1 806 . 1 1 63 63 ARG N N 15 122.8 0.5 . 1 . . . . 63 ARG N . 16387 1 807 . 1 1 64 64 LEU H H 1 8.46 0.02 . 1 . . . . 64 LEU H . 16387 1 808 . 1 1 64 64 LEU HA H 1 3.87 0.02 . 1 . . . . 64 LEU HA . 16387 1 809 . 1 1 64 64 LEU HB2 H 1 2.12 0.02 . 2 . . . . 64 LEU HB2 . 16387 1 810 . 1 1 64 64 LEU HB3 H 1 1.27 0.02 . 2 . . . . 64 LEU HB3 . 16387 1 811 . 1 1 64 64 LEU HD11 H 1 0.96 0.02 . 1 . . . . 64 LEU HD1 . 16387 1 812 . 1 1 64 64 LEU HD12 H 1 0.96 0.02 . 1 . . . . 64 LEU HD1 . 16387 1 813 . 1 1 64 64 LEU HD13 H 1 0.96 0.02 . 1 . . . . 64 LEU HD1 . 16387 1 814 . 1 1 64 64 LEU HD21 H 1 0.84 0.02 . 1 . . . . 64 LEU HD2 . 16387 1 815 . 1 1 64 64 LEU HD22 H 1 0.84 0.02 . 1 . . . . 64 LEU HD2 . 16387 1 816 . 1 1 64 64 LEU HD23 H 1 0.84 0.02 . 1 . . . . 64 LEU HD2 . 16387 1 817 . 1 1 64 64 LEU HG H 1 1.94 0.02 . 1 . . . . 64 LEU HG . 16387 1 818 . 1 1 64 64 LEU C C 13 178.2 0.5 . 1 . . . . 64 LEU C . 16387 1 819 . 1 1 64 64 LEU CA C 13 57.5 0.5 . 1 . . . . 64 LEU CA . 16387 1 820 . 1 1 64 64 LEU CB C 13 42.3 0.5 . 1 . . . . 64 LEU CB . 16387 1 821 . 1 1 64 64 LEU CD1 C 13 26.5 0.5 . 1 . . . . 64 LEU CD1 . 16387 1 822 . 1 1 64 64 LEU CD2 C 13 23.7 0.5 . 1 . . . . 64 LEU CD2 . 16387 1 823 . 1 1 64 64 LEU CG C 13 26.9 0.5 . 1 . . . . 64 LEU CG . 16387 1 824 . 1 1 64 64 LEU N N 15 120.8 0.5 . 1 . . . . 64 LEU N . 16387 1 825 . 1 1 65 65 ALA H H 1 8.19 0.02 . 1 . . . . 65 ALA H . 16387 1 826 . 1 1 65 65 ALA HA H 1 4.05 0.02 . 1 . . . . 65 ALA HA . 16387 1 827 . 1 1 65 65 ALA HB1 H 1 1.63 0.02 . 1 . . . . 65 ALA HB . 16387 1 828 . 1 1 65 65 ALA HB2 H 1 1.63 0.02 . 1 . . . . 65 ALA HB . 16387 1 829 . 1 1 65 65 ALA HB3 H 1 1.63 0.02 . 1 . . . . 65 ALA HB . 16387 1 830 . 1 1 65 65 ALA C C 13 179.5 0.5 . 1 . . . . 65 ALA C . 16387 1 831 . 1 1 65 65 ALA CA C 13 55.2 0.5 . 1 . . . . 65 ALA CA . 16387 1 832 . 1 1 65 65 ALA CB C 13 17.9 0.5 . 1 . . . . 65 ALA CB . 16387 1 833 . 1 1 65 65 ALA N N 15 120.2 0.5 . 1 . . . . 65 ALA N . 16387 1 834 . 1 1 66 66 LYS H H 1 7.70 0.02 . 1 . . . . 66 LYS H . 16387 1 835 . 1 1 66 66 LYS HA H 1 4.19 0.02 . 1 . . . . 66 LYS HA . 16387 1 836 . 1 1 66 66 LYS HB2 H 1 1.98 0.02 . 2 . . . . 66 LYS HB2 . 16387 1 837 . 1 1 66 66 LYS HB3 H 1 1.98 0.02 . 2 . . . . 66 LYS HB3 . 16387 1 838 . 1 1 66 66 LYS HD2 H 1 1.73 0.02 . 2 . . . . 66 LYS HD2 . 16387 1 839 . 1 1 66 66 LYS HD3 H 1 1.73 0.02 . 2 . . . . 66 LYS HD3 . 16387 1 840 . 1 1 66 66 LYS HE2 H 1 3.01 0.02 . 2 . . . . 66 LYS HE2 . 16387 1 841 . 1 1 66 66 LYS HE3 H 1 3.02 0.02 . 2 . . . . 66 LYS HE3 . 16387 1 842 . 1 1 66 66 LYS HG2 H 1 1.49 0.02 . 2 . . . . 66 LYS HG2 . 16387 1 843 . 1 1 66 66 LYS HG3 H 1 1.59 0.02 . 2 . . . . 66 LYS HG3 . 16387 1 844 . 1 1 66 66 LYS C C 13 178.8 0.5 . 1 . . . . 66 LYS C . 16387 1 845 . 1 1 66 66 LYS CA C 13 58.9 0.5 . 1 . . . . 66 LYS CA . 16387 1 846 . 1 1 66 66 LYS CB C 13 32.3 0.5 . 1 . . . . 66 LYS CB . 16387 1 847 . 1 1 66 66 LYS CD C 13 28.9 0.5 . 1 . . . . 66 LYS CD . 16387 1 848 . 1 1 66 66 LYS CE C 13 42.1 0.5 . 1 . . . . 66 LYS CE . 16387 1 849 . 1 1 66 66 LYS CG C 13 24.9 0.5 . 1 . . . . 66 LYS CG . 16387 1 850 . 1 1 66 66 LYS N N 15 116.5 0.5 . 1 . . . . 66 LYS N . 16387 1 851 . 1 1 67 67 GLU H H 1 8.27 0.02 . 1 . . . . 67 GLU H . 16387 1 852 . 1 1 67 67 GLU HA H 1 3.84 0.02 . 1 . . . . 67 GLU HA . 16387 1 853 . 1 1 67 67 GLU HB2 H 1 1.59 0.02 . 2 . . . . 67 GLU HB2 . 16387 1 854 . 1 1 67 67 GLU HB3 H 1 1.83 0.02 . 2 . . . . 67 GLU HB3 . 16387 1 855 . 1 1 67 67 GLU HG2 H 1 2.00 0.02 . 2 . . . . 67 GLU HG2 . 16387 1 856 . 1 1 67 67 GLU HG3 H 1 1.70 0.02 . 2 . . . . 67 GLU HG3 . 16387 1 857 . 1 1 67 67 GLU C C 13 178.0 0.5 . 1 . . . . 67 GLU C . 16387 1 858 . 1 1 67 67 GLU CA C 13 59.1 0.5 . 1 . . . . 67 GLU CA . 16387 1 859 . 1 1 67 67 GLU CB C 13 29.3 0.5 . 1 . . . . 67 GLU CB . 16387 1 860 . 1 1 67 67 GLU CG C 13 35.6 0.5 . 1 . . . . 67 GLU CG . 16387 1 861 . 1 1 67 67 GLU N N 15 120.2 0.5 . 1 . . . . 67 GLU N . 16387 1 862 . 1 1 68 68 PHE H H 1 7.80 0.02 . 1 . . . . 68 PHE H . 16387 1 863 . 1 1 68 68 PHE HA H 1 4.76 0.02 . 1 . . . . 68 PHE HA . 16387 1 864 . 1 1 68 68 PHE HB2 H 1 2.61 0.02 . 2 . . . . 68 PHE HB2 . 16387 1 865 . 1 1 68 68 PHE HB3 H 1 3.45 0.02 . 2 . . . . 68 PHE HB3 . 16387 1 866 . 1 1 68 68 PHE HD1 H 1 7.26 0.02 . 3 . . . . 68 PHE HD1 . 16387 1 867 . 1 1 68 68 PHE HD2 H 1 7.26 0.02 . 3 . . . . 68 PHE HD2 . 16387 1 868 . 1 1 68 68 PHE HE1 H 1 7.14 0.02 . 3 . . . . 68 PHE HE1 . 16387 1 869 . 1 1 68 68 PHE HE2 H 1 7.14 0.02 . 3 . . . . 68 PHE HE2 . 16387 1 870 . 1 1 68 68 PHE HZ H 1 7.10 0.02 . 1 . . . . 68 PHE HZ . 16387 1 871 . 1 1 68 68 PHE C C 13 174.4 0.5 . 1 . . . . 68 PHE C . 16387 1 872 . 1 1 68 68 PHE CA C 13 56.3 0.5 . 1 . . . . 68 PHE CA . 16387 1 873 . 1 1 68 68 PHE CB C 13 39.4 0.5 . 1 . . . . 68 PHE CB . 16387 1 874 . 1 1 68 68 PHE CD1 C 13 131.7 0.5 . 1 . . . . 68 PHE CD1 . 16387 1 875 . 1 1 68 68 PHE CE1 C 13 131.1 0.5 . 1 . . . . 68 PHE CE1 . 16387 1 876 . 1 1 68 68 PHE CZ C 13 131.0 0.5 . 1 . . . . 68 PHE CZ . 16387 1 877 . 1 1 68 68 PHE N N 15 113.4 0.5 . 1 . . . . 68 PHE N . 16387 1 878 . 1 1 69 69 ASN H H 1 7.95 0.02 . 1 . . . . 69 ASN H . 16387 1 879 . 1 1 69 69 ASN HA H 1 4.51 0.02 . 1 . . . . 69 ASN HA . 16387 1 880 . 1 1 69 69 ASN HB2 H 1 3.22 0.02 . 2 . . . . 69 ASN HB2 . 16387 1 881 . 1 1 69 69 ASN HB3 H 1 2.78 0.02 . 2 . . . . 69 ASN HB3 . 16387 1 882 . 1 1 69 69 ASN HD21 H 1 7.62 0.02 . 2 . . . . 69 ASN HD21 . 16387 1 883 . 1 1 69 69 ASN HD22 H 1 6.79 0.02 . 2 . . . . 69 ASN HD22 . 16387 1 884 . 1 1 69 69 ASN CA C 13 54.2 0.5 . 1 . . . . 69 ASN CA . 16387 1 885 . 1 1 69 69 ASN CB C 13 37.0 0.5 . 1 . . . . 69 ASN CB . 16387 1 886 . 1 1 69 69 ASN N N 15 118.2 0.5 . 1 . . . . 69 ASN N . 16387 1 887 . 1 1 69 69 ASN ND2 N 15 112.6 0.5 . 1 . . . . 69 ASN ND2 . 16387 1 888 . 1 1 70 70 ILE H H 1 8.48 0.02 . 1 . . . . 70 ILE H . 16387 1 889 . 1 1 70 70 ILE HA H 1 4.95 0.02 . 1 . . . . 70 ILE HA . 16387 1 890 . 1 1 70 70 ILE HB H 1 2.34 0.02 . 1 . . . . 70 ILE HB . 16387 1 891 . 1 1 70 70 ILE HD11 H 1 0.53 0.02 . 1 . . . . 70 ILE HD1 . 16387 1 892 . 1 1 70 70 ILE HD12 H 1 0.53 0.02 . 1 . . . . 70 ILE HD1 . 16387 1 893 . 1 1 70 70 ILE HD13 H 1 0.53 0.02 . 1 . . . . 70 ILE HD1 . 16387 1 894 . 1 1 70 70 ILE HG12 H 1 1.34 0.02 . 2 . . . . 70 ILE HG12 . 16387 1 895 . 1 1 70 70 ILE HG13 H 1 1.19 0.02 . 2 . . . . 70 ILE HG13 . 16387 1 896 . 1 1 70 70 ILE HG21 H 1 0.89 0.02 . 1 . . . . 70 ILE HG2 . 16387 1 897 . 1 1 70 70 ILE HG22 H 1 0.89 0.02 . 1 . . . . 70 ILE HG2 . 16387 1 898 . 1 1 70 70 ILE HG23 H 1 0.89 0.02 . 1 . . . . 70 ILE HG2 . 16387 1 899 . 1 1 70 70 ILE CA C 13 59.8 0.5 . 1 . . . . 70 ILE CA . 16387 1 900 . 1 1 70 70 ILE CB C 13 40.0 0.5 . 1 . . . . 70 ILE CB . 16387 1 901 . 1 1 70 70 ILE CD1 C 13 13.0 0.5 . 1 . . . . 70 ILE CD1 . 16387 1 902 . 1 1 70 70 ILE CG1 C 13 25.8 0.5 . 1 . . . . 70 ILE CG1 . 16387 1 903 . 1 1 70 70 ILE CG2 C 13 17.9 0.5 . 1 . . . . 70 ILE CG2 . 16387 1 904 . 1 1 70 70 ILE N N 15 113.9 0.5 . 1 . . . . 70 ILE N . 16387 1 905 . 1 1 71 71 THR H H 1 8.52 0.02 . 1 . . . . 71 THR H . 16387 1 906 . 1 1 71 71 THR HA H 1 4.82 0.02 . 1 . . . . 71 THR HA . 16387 1 907 . 1 1 71 71 THR HB H 1 4.22 0.02 . 1 . . . . 71 THR HB . 16387 1 908 . 1 1 71 71 THR HG21 H 1 1.23 0.02 . 1 . . . . 71 THR HG2 . 16387 1 909 . 1 1 71 71 THR HG22 H 1 1.23 0.02 . 1 . . . . 71 THR HG2 . 16387 1 910 . 1 1 71 71 THR HG23 H 1 1.23 0.02 . 1 . . . . 71 THR HG2 . 16387 1 911 . 1 1 71 71 THR C C 13 173.5 0.5 . 1 . . . . 71 THR C . 16387 1 912 . 1 1 71 71 THR CA C 13 61.5 0.5 . 1 . . . . 71 THR CA . 16387 1 913 . 1 1 71 71 THR CB C 13 71.2 0.5 . 1 . . . . 71 THR CB . 16387 1 914 . 1 1 71 71 THR CG2 C 13 21.6 0.5 . 1 . . . . 71 THR CG2 . 16387 1 915 . 1 1 71 71 THR N N 15 113.6 0.5 . 1 . . . . 71 THR N . 16387 1 916 . 1 1 72 72 VAL H H 1 8.72 0.02 . 1 . . . . 72 VAL H . 16387 1 917 . 1 1 72 72 VAL HA H 1 5.33 0.02 . 1 . . . . 72 VAL HA . 16387 1 918 . 1 1 72 72 VAL HB H 1 1.78 0.02 . 1 . . . . 72 VAL HB . 16387 1 919 . 1 1 72 72 VAL HG11 H 1 0.72 0.02 . 1 . . . . 72 VAL HG1 . 16387 1 920 . 1 1 72 72 VAL HG12 H 1 0.72 0.02 . 1 . . . . 72 VAL HG1 . 16387 1 921 . 1 1 72 72 VAL HG13 H 1 0.72 0.02 . 1 . . . . 72 VAL HG1 . 16387 1 922 . 1 1 72 72 VAL HG21 H 1 0.30 0.02 . 1 . . . . 72 VAL HG2 . 16387 1 923 . 1 1 72 72 VAL HG22 H 1 0.30 0.02 . 1 . . . . 72 VAL HG2 . 16387 1 924 . 1 1 72 72 VAL HG23 H 1 0.30 0.02 . 1 . . . . 72 VAL HG2 . 16387 1 925 . 1 1 72 72 VAL C C 13 173.2 0.5 . 1 . . . . 72 VAL C . 16387 1 926 . 1 1 72 72 VAL CA C 13 59.2 0.5 . 1 . . . . 72 VAL CA . 16387 1 927 . 1 1 72 72 VAL CB C 13 35.8 0.5 . 1 . . . . 72 VAL CB . 16387 1 928 . 1 1 72 72 VAL CG1 C 13 19.6 0.5 . 1 . . . . 72 VAL CG1 . 16387 1 929 . 1 1 72 72 VAL CG2 C 13 23.2 0.5 . 1 . . . . 72 VAL CG2 . 16387 1 930 . 1 1 72 72 VAL N N 15 122.6 0.5 . 1 . . . . 72 VAL N . 16387 1 931 . 1 1 73 73 THR H H 1 8.43 0.02 . 1 . . . . 73 THR H . 16387 1 932 . 1 1 73 73 THR HA H 1 4.41 0.02 . 1 . . . . 73 THR HA . 16387 1 933 . 1 1 73 73 THR HB H 1 4.03 0.02 . 1 . . . . 73 THR HB . 16387 1 934 . 1 1 73 73 THR HG21 H 1 1.11 0.02 . 1 . . . . 73 THR HG2 . 16387 1 935 . 1 1 73 73 THR HG22 H 1 1.11 0.02 . 1 . . . . 73 THR HG2 . 16387 1 936 . 1 1 73 73 THR HG23 H 1 1.11 0.02 . 1 . . . . 73 THR HG2 . 16387 1 937 . 1 1 73 73 THR CA C 13 60.1 0.5 . 1 . . . . 73 THR CA . 16387 1 938 . 1 1 73 73 THR CB C 13 71.8 0.5 . 1 . . . . 73 THR CB . 16387 1 939 . 1 1 73 73 THR CG2 C 13 21.6 0.5 . 1 . . . . 73 THR CG2 . 16387 1 940 . 1 1 73 73 THR N N 15 119.3 0.5 . 1 . . . . 73 THR N . 16387 1 941 . 1 1 74 74 TYR H H 1 8.12 0.02 . 1 . . . . 74 TYR H . 16387 1 942 . 1 1 74 74 TYR HA H 1 5.53 0.02 . 1 . . . . 74 TYR HA . 16387 1 943 . 1 1 74 74 TYR HB2 H 1 2.79 0.02 . 2 . . . . 74 TYR HB2 . 16387 1 944 . 1 1 74 74 TYR HB3 H 1 2.90 0.02 . 2 . . . . 74 TYR HB3 . 16387 1 945 . 1 1 74 74 TYR HD1 H 1 6.64 0.02 . 3 . . . . 74 TYR HD1 . 16387 1 946 . 1 1 74 74 TYR HD2 H 1 6.64 0.02 . 3 . . . . 74 TYR HD2 . 16387 1 947 . 1 1 74 74 TYR HE1 H 1 6.70 0.02 . 3 . . . . 74 TYR HE1 . 16387 1 948 . 1 1 74 74 TYR HE2 H 1 6.70 0.02 . 3 . . . . 74 TYR HE2 . 16387 1 949 . 1 1 74 74 TYR CA C 13 55.9 0.5 . 1 . . . . 74 TYR CA . 16387 1 950 . 1 1 74 74 TYR CB C 13 41.6 0.5 . 1 . . . . 74 TYR CB . 16387 1 951 . 1 1 74 74 TYR CD1 C 13 132.9 0.5 . 1 . . . . 74 TYR CD1 . 16387 1 952 . 1 1 74 74 TYR CE1 C 13 118.0 0.5 . 1 . . . . 74 TYR CE1 . 16387 1 953 . 1 1 74 74 TYR N N 15 118.1 0.5 . 1 . . . . 74 TYR N . 16387 1 954 . 1 1 75 75 THR H H 1 8.81 0.02 . 1 . . . . 75 THR H . 16387 1 955 . 1 1 75 75 THR HA H 1 4.59 0.02 . 1 . . . . 75 THR HA . 16387 1 956 . 1 1 75 75 THR HB H 1 4.02 0.02 . 1 . . . . 75 THR HB . 16387 1 957 . 1 1 75 75 THR HG21 H 1 1.13 0.02 . 1 . . . . 75 THR HG2 . 16387 1 958 . 1 1 75 75 THR HG22 H 1 1.13 0.02 . 1 . . . . 75 THR HG2 . 16387 1 959 . 1 1 75 75 THR HG23 H 1 1.13 0.02 . 1 . . . . 75 THR HG2 . 16387 1 960 . 1 1 75 75 THR CA C 13 60.7 0.5 . 1 . . . . 75 THR CA . 16387 1 961 . 1 1 75 75 THR CB C 13 71.7 0.5 . 1 . . . . 75 THR CB . 16387 1 962 . 1 1 75 75 THR CG2 C 13 21.3 0.5 . 1 . . . . 75 THR CG2 . 16387 1 963 . 1 1 75 75 THR N N 15 115.0 0.5 . 1 . . . . 75 THR N . 16387 1 964 . 1 1 76 76 ILE H H 1 8.65 0.02 . 1 . . . . 76 ILE H . 16387 1 965 . 1 1 76 76 ILE HA H 1 4.80 0.02 . 1 . . . . 76 ILE HA . 16387 1 966 . 1 1 76 76 ILE HB H 1 1.87 0.02 . 1 . . . . 76 ILE HB . 16387 1 967 . 1 1 76 76 ILE HD11 H 1 0.85 0.02 . 1 . . . . 76 ILE HD1 . 16387 1 968 . 1 1 76 76 ILE HD12 H 1 0.85 0.02 . 1 . . . . 76 ILE HD1 . 16387 1 969 . 1 1 76 76 ILE HD13 H 1 0.85 0.02 . 1 . . . . 76 ILE HD1 . 16387 1 970 . 1 1 76 76 ILE HG12 H 1 1.56 0.02 . 2 . . . . 76 ILE HG12 . 16387 1 971 . 1 1 76 76 ILE HG13 H 1 1.17 0.02 . 2 . . . . 76 ILE HG13 . 16387 1 972 . 1 1 76 76 ILE HG21 H 1 0.89 0.02 . 1 . . . . 76 ILE HG2 . 16387 1 973 . 1 1 76 76 ILE HG22 H 1 0.89 0.02 . 1 . . . . 76 ILE HG2 . 16387 1 974 . 1 1 76 76 ILE HG23 H 1 0.89 0.02 . 1 . . . . 76 ILE HG2 . 16387 1 975 . 1 1 76 76 ILE C C 13 175.3 0.5 . 1 . . . . 76 ILE C . 16387 1 976 . 1 1 76 76 ILE CA C 13 59.9 0.5 . 1 . . . . 76 ILE CA . 16387 1 977 . 1 1 76 76 ILE CB C 13 39.5 0.5 . 1 . . . . 76 ILE CB . 16387 1 978 . 1 1 76 76 ILE CD1 C 13 13.2 0.5 . 1 . . . . 76 ILE CD1 . 16387 1 979 . 1 1 76 76 ILE CG1 C 13 27.9 0.5 . 1 . . . . 76 ILE CG1 . 16387 1 980 . 1 1 76 76 ILE CG2 C 13 18.3 0.5 . 1 . . . . 76 ILE CG2 . 16387 1 981 . 1 1 76 76 ILE N N 15 124.4 0.5 . 1 . . . . 76 ILE N . 16387 1 982 . 1 1 77 77 ARG H H 1 8.68 0.02 . 1 . . . . 77 ARG H . 16387 1 983 . 1 1 77 77 ARG HA H 1 4.57 0.02 . 1 . . . . 77 ARG HA . 16387 1 984 . 1 1 77 77 ARG HB2 H 1 1.82 0.02 . 2 . . . . 77 ARG HB2 . 16387 1 985 . 1 1 77 77 ARG HB3 H 1 1.68 0.02 . 2 . . . . 77 ARG HB3 . 16387 1 986 . 1 1 77 77 ARG HD2 H 1 3.11 0.02 . 2 . . . . 77 ARG HD2 . 16387 1 987 . 1 1 77 77 ARG HD3 H 1 3.15 0.02 . 2 . . . . 77 ARG HD3 . 16387 1 988 . 1 1 77 77 ARG HG2 H 1 1.53 0.02 . 2 . . . . 77 ARG HG2 . 16387 1 989 . 1 1 77 77 ARG HG3 H 1 1.53 0.02 . 2 . . . . 77 ARG HG3 . 16387 1 990 . 1 1 77 77 ARG CA C 13 55.1 0.5 . 1 . . . . 77 ARG CA . 16387 1 991 . 1 1 77 77 ARG CB C 13 32.5 0.5 . 1 . . . . 77 ARG CB . 16387 1 992 . 1 1 77 77 ARG CD C 13 43.2 0.5 . 1 . . . . 77 ARG CD . 16387 1 993 . 1 1 77 77 ARG CG C 13 27.2 0.5 . 1 . . . . 77 ARG CG . 16387 1 994 . 1 1 77 77 ARG N N 15 125.9 0.5 . 1 . . . . 77 ARG N . 16387 1 995 . 1 1 78 78 LEU H H 1 8.50 0.02 . 1 . . . . 78 LEU H . 16387 1 996 . 1 1 78 78 LEU HA H 1 4.32 0.02 . 1 . . . . 78 LEU HA . 16387 1 997 . 1 1 78 78 LEU HB2 H 1 1.53 0.02 . 2 . . . . 78 LEU HB2 . 16387 1 998 . 1 1 78 78 LEU HB3 H 1 1.57 0.02 . 2 . . . . 78 LEU HB3 . 16387 1 999 . 1 1 78 78 LEU HD11 H 1 0.88 0.02 . 1 . . . . 78 LEU HD1 . 16387 1 1000 . 1 1 78 78 LEU HD12 H 1 0.88 0.02 . 1 . . . . 78 LEU HD1 . 16387 1 1001 . 1 1 78 78 LEU HD13 H 1 0.88 0.02 . 1 . . . . 78 LEU HD1 . 16387 1 1002 . 1 1 78 78 LEU HD21 H 1 0.81 0.02 . 1 . . . . 78 LEU HD2 . 16387 1 1003 . 1 1 78 78 LEU HD22 H 1 0.81 0.02 . 1 . . . . 78 LEU HD2 . 16387 1 1004 . 1 1 78 78 LEU HD23 H 1 0.81 0.02 . 1 . . . . 78 LEU HD2 . 16387 1 1005 . 1 1 78 78 LEU HG H 1 1.58 0.02 . 1 . . . . 78 LEU HG . 16387 1 1006 . 1 1 78 78 LEU C C 13 177.0 0.5 . 1 . . . . 78 LEU C . 16387 1 1007 . 1 1 78 78 LEU CA C 13 55.2 0.5 . 1 . . . . 78 LEU CA . 16387 1 1008 . 1 1 78 78 LEU CB C 13 42.2 0.5 . 1 . . . . 78 LEU CB . 16387 1 1009 . 1 1 78 78 LEU CD1 C 13 24.9 0.5 . 1 . . . . 78 LEU CD1 . 16387 1 1010 . 1 1 78 78 LEU CD2 C 13 23.4 0.5 . 1 . . . . 78 LEU CD2 . 16387 1 1011 . 1 1 78 78 LEU CG C 13 27.0 0.5 . 1 . . . . 78 LEU CG . 16387 1 1012 . 1 1 78 78 LEU N N 15 124.4 0.5 . 1 . . . . 78 LEU N . 16387 1 1013 . 1 1 79 79 GLU H H 1 8.31 0.02 . 1 . . . . 79 GLU H . 16387 1 1014 . 1 1 79 79 GLU HA H 1 4.15 0.02 . 1 . . . . 79 GLU HA . 16387 1 1015 . 1 1 79 79 GLU HB2 H 1 1.87 0.02 . 2 . . . . 79 GLU HB2 . 16387 1 1016 . 1 1 79 79 GLU HB3 H 1 1.82 0.02 . 2 . . . . 79 GLU HB3 . 16387 1 1017 . 1 1 79 79 GLU HG2 H 1 2.17 0.02 . 2 . . . . 79 GLU HG2 . 16387 1 1018 . 1 1 79 79 GLU HG3 H 1 2.11 0.02 . 2 . . . . 79 GLU HG3 . 16387 1 1019 . 1 1 79 79 GLU C C 13 173.7 0.5 . 1 . . . . 79 GLU C . 16387 1 1020 . 1 1 79 79 GLU CA C 13 55.4 0.5 . 1 . . . . 79 GLU CA . 16387 1 1021 . 1 1 79 79 GLU CB C 13 30.1 0.5 . 1 . . . . 79 GLU CB . 16387 1 1022 . 1 1 79 79 GLU CG C 13 36.0 0.5 . 1 . . . . 79 GLU CG . 16387 1 1023 . 1 1 79 79 GLU N N 15 121.3 0.5 . 1 . . . . 79 GLU N . 16387 1 1024 . 1 1 80 80 HIS H H 1 8.09 0.02 . 1 . . . . 80 HIS H . 16387 1 1025 . 1 1 80 80 HIS HA H 1 4.58 0.02 . 1 . . . . 80 HIS HA . 16387 1 1026 . 1 1 80 80 HIS HB2 H 1 2.99 0.02 . 2 . . . . 80 HIS HB2 . 16387 1 1027 . 1 1 80 80 HIS HB3 H 1 3.05 0.02 . 2 . . . . 80 HIS HB3 . 16387 1 1028 . 1 1 80 80 HIS CA C 13 57.1 0.5 . 1 . . . . 80 HIS CA . 16387 1 1029 . 1 1 80 80 HIS CB C 13 30.3 0.5 . 1 . . . . 80 HIS CB . 16387 1 1030 . 1 1 80 80 HIS N N 15 125.3 0.5 . 1 . . . . 80 HIS N . 16387 1 stop_ save_