data_6505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6505 _Entry.Title ; Solution Structure of the Conserved Protein from the Gene Locus Mm1357 of Methanosarcina Mazei. Northeast Structural Genomics Target Mar30 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-17 _Entry.Accession_date 2005-02-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 P. Rossi . . . 6505 2 J. Aramini . M. . 6505 3 G. Swapna . V.T. . 6505 4 Y. Huang . P. . 6505 5 R. Xiao . . . 6505 6 C. Ho . K. . 6505 7 L. Ma . C. . 6505 8 T. Acton . B. . 6505 9 G. Montelione . T. . 6505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 482 6505 '13C chemical shifts' 304 6505 '15N chemical shifts' 64 6505 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 . . 2009-07-02 2005-02-17 update BMRB 'added time domain data' 6505 2 . . 2008-07-01 2005-02-17 update BMRB 'update entry citation' 6505 1 . . 2005-12-09 2005-02-17 original author 'original release' 6505 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17496898 _Citation.Full_citation . _Citation.Title 'Microgram-scale protein structure determination by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nature Methods' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 6 _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 491 _Citation.Page_last 493 _Citation.Year 2007 _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 James Aramini . M. . 6505 1 2 Paolo Rossi . . . 6505 1 3 Clemens Anklin . . . 6505 1 4 Rong Xiao . . . 6505 1 5 Gaetano Montelione . T. . 6505 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MaR30 6505 1 'NMR Structure' 6505 1 Autostructure 6505 1 'Northeast Structural Genomics' 6505 1 PSI 6505 1 'Protein Structure Initiative' 6505 1 'Northeast Structural Genomics Consortium' 6505 1 NESG 6505 1 stop_ save_ save_ref-2 _Citation.Sf_category citations _Citation.Sf_framecode ref-2 _Citation.Entry_ID 6505 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio F., Grzesiek S., Vuister G.W., Zhu G., Pfeifer J., Bax A. J. Biomol. NMR. (1995) 6, 277-293. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 6505 2 2 S. Grzesiek S. . . 6505 2 3 'G. W.' Vuister G. W. . 6505 2 4 G. Zhu G. . . 6505 2 5 J. Pfeifer J. . . 6505 2 6 A. Bax A. . . 6505 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MM1357 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MM1357 _Assembly.Entry_ID 6505 _Assembly.ID 1 _Assembly.Name 'hypothetical protein MM1357' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6505 1 stop_ 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 'hypothetical protein MM1357' 1 $MM1357 . . . native . . . . . 6505 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YEZ . . . . . . 6505 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'hypothetical protein MM1357' system 6505 1 MM1357 abbreviation 6505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MM1357 _Entity.Sf_category entity _Entity.Sf_framecode MM1357 _Entity.Entry_ID 6505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MM1357 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFREESRSVPVEEGEVYDVT IQDIARQGDGIARIEGFVIF VPGTKVGDEVRIKVERVLPK FAFASVVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YEZ . "Solution Structure Of The Conserved Protein From The Gene Locus Mm1357 Of Methanosarcina Mazei. Northeast Structural Genomics T" . . . . . 100.00 68 100.00 100.00 1.83e-37 . . . . 6505 1 2 no GB AAM03512 . "conserved hypothetical protein [Methanosarcina acetivorans C2A]" . . . . . 100.00 71 100.00 100.00 1.94e-37 . . . . 6505 1 3 no GB AAM31053 . "conserved protein [Methanosarcina mazei Go1]" . . . . . 100.00 68 100.00 100.00 1.83e-37 . . . . 6505 1 4 no GB AAZ69994 . "conserved hypothetical protein [Methanosarcina barkeri str. Fusaro]" . . . . . 100.00 68 98.53 100.00 3.22e-37 . . . . 6505 1 5 no GB AAZ69995 . "conserved hypothetical protein [Methanosarcina barkeri str. Fusaro]" . . . . . 100.00 68 100.00 100.00 1.83e-37 . . . . 6505 1 6 no REF NP_615032 . "hypothetical protein MA0058 [Methanosarcina acetivorans C2A]" . . . . . 100.00 71 100.00 100.00 1.94e-37 . . . . 6505 1 7 no REF NP_633381 . "hypothetical protein MM_1357 [Methanosarcina mazei Go1]" . . . . . 100.00 68 100.00 100.00 1.83e-37 . . . . 6505 1 8 no REF WP_011020117 . "deoxyribonuclease [Methanosarcina acetivorans]" . . . . . 100.00 71 100.00 100.00 1.94e-37 . . . . 6505 1 9 no REF WP_011033303 . "MULTISPECIES: deoxyribonuclease [Methanosarcina]" . . . . . 100.00 68 100.00 100.00 1.83e-37 . . . . 6505 1 10 no REF WP_011306043 . "deoxyribonuclease [Methanosarcina barkeri]" . . . . . 100.00 68 98.53 100.00 3.22e-37 . . . . 6505 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MM1357 common 6505 1 MM1357 abbreviation 6505 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 . 6505 1 2 . PHE . 6505 1 3 . ARG . 6505 1 4 . GLU . 6505 1 5 . GLU . 6505 1 6 . SER . 6505 1 7 . ARG . 6505 1 8 . SER . 6505 1 9 . VAL . 6505 1 10 . PRO . 6505 1 11 . VAL . 6505 1 12 . GLU . 6505 1 13 . GLU . 6505 1 14 . GLY . 6505 1 15 . GLU . 6505 1 16 . VAL . 6505 1 17 . TYR . 6505 1 18 . ASP . 6505 1 19 . VAL . 6505 1 20 . THR . 6505 1 21 . ILE . 6505 1 22 . GLN . 6505 1 23 . ASP . 6505 1 24 . ILE . 6505 1 25 . ALA . 6505 1 26 . ARG . 6505 1 27 . GLN . 6505 1 28 . GLY . 6505 1 29 . ASP . 6505 1 30 . GLY . 6505 1 31 . ILE . 6505 1 32 . ALA . 6505 1 33 . ARG . 6505 1 34 . ILE . 6505 1 35 . GLU . 6505 1 36 . GLY . 6505 1 37 . PHE . 6505 1 38 . VAL . 6505 1 39 . ILE . 6505 1 40 . PHE . 6505 1 41 . VAL . 6505 1 42 . PRO . 6505 1 43 . GLY . 6505 1 44 . THR . 6505 1 45 . LYS . 6505 1 46 . VAL . 6505 1 47 . GLY . 6505 1 48 . ASP . 6505 1 49 . GLU . 6505 1 50 . VAL . 6505 1 51 . ARG . 6505 1 52 . ILE . 6505 1 53 . LYS . 6505 1 54 . VAL . 6505 1 55 . GLU . 6505 1 56 . ARG . 6505 1 57 . VAL . 6505 1 58 . LEU . 6505 1 59 . PRO . 6505 1 60 . LYS . 6505 1 61 . PHE . 6505 1 62 . ALA . 6505 1 63 . PHE . 6505 1 64 . ALA . 6505 1 65 . SER . 6505 1 66 . VAL . 6505 1 67 . VAL . 6505 1 68 . GLU . 6505 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 6505 1 . PHE 2 2 6505 1 . ARG 3 3 6505 1 . GLU 4 4 6505 1 . GLU 5 5 6505 1 . SER 6 6 6505 1 . ARG 7 7 6505 1 . SER 8 8 6505 1 . VAL 9 9 6505 1 . PRO 10 10 6505 1 . VAL 11 11 6505 1 . GLU 12 12 6505 1 . GLU 13 13 6505 1 . GLY 14 14 6505 1 . GLU 15 15 6505 1 . VAL 16 16 6505 1 . TYR 17 17 6505 1 . ASP 18 18 6505 1 . VAL 19 19 6505 1 . THR 20 20 6505 1 . ILE 21 21 6505 1 . GLN 22 22 6505 1 . ASP 23 23 6505 1 . ILE 24 24 6505 1 . ALA 25 25 6505 1 . ARG 26 26 6505 1 . GLN 27 27 6505 1 . GLY 28 28 6505 1 . ASP 29 29 6505 1 . GLY 30 30 6505 1 . ILE 31 31 6505 1 . ALA 32 32 6505 1 . ARG 33 33 6505 1 . ILE 34 34 6505 1 . GLU 35 35 6505 1 . GLY 36 36 6505 1 . PHE 37 37 6505 1 . VAL 38 38 6505 1 . ILE 39 39 6505 1 . PHE 40 40 6505 1 . VAL 41 41 6505 1 . PRO 42 42 6505 1 . GLY 43 43 6505 1 . THR 44 44 6505 1 . LYS 45 45 6505 1 . VAL 46 46 6505 1 . GLY 47 47 6505 1 . ASP 48 48 6505 1 . GLU 49 49 6505 1 . VAL 50 50 6505 1 . ARG 51 51 6505 1 . ILE 52 52 6505 1 . LYS 53 53 6505 1 . VAL 54 54 6505 1 . GLU 55 55 6505 1 . ARG 56 56 6505 1 . VAL 57 57 6505 1 . LEU 58 58 6505 1 . PRO 59 59 6505 1 . LYS 60 60 6505 1 . PHE 61 61 6505 1 . ALA 62 62 6505 1 . PHE 63 63 6505 1 . ALA 64 64 6505 1 . SER 65 65 6505 1 . VAL 66 66 6505 1 . VAL 67 67 6505 1 . GLU 68 68 6505 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 6505 _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 $MM1357 . 2209 organism . 'Methanosarcina mazei' 'Methanosarcina mazei' . . Archaea . Methanosarcina mazei . . . . . . . . . . . . . . . . . . . . . 6505 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 6505 _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 $MM1357 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6505 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MM1357 '[U-13C; U-15N]' . . 1 $MM1357 . . 2 . . mM . . . . 6505 1 2 NaN3 . . . . . . . 0.02 . . % . . . . 6505 1 3 DTT . . . . . . . 10 . . mM . . . . 6505 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 6505 1 5 NaCl . . . . . . . 100 . . mM . . . . 6505 1 6 MES . . . . . . . 20 . . mM . . . . 6505 1 7 D2O . . . . . . . 5 . . % . . . . 6505 1 8 H2O . . . . . . . 95 . . % . . . . 6505 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6505 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MM1357 '[U-13C; U-15N]' . . 1 $MM1357 . . 0.56 . . mM . . . . 6505 2 2 NaN3 . . . . . . . 0.02 . . % . . . . 6505 2 3 DTT . . . . . . . 10 . . mM . . . . 6505 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 6505 2 5 NaCl . . . . . . . 100 . . mM . . . . 6505 2 6 MES . . . . . . . 20 . . mM . . . . 6505 2 7 D2O . . . . . . . 100 . . % . . . . 6505 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6505 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MM1357 '[U-5% 13C; U-15N]' . . 1 $MM1357 . . 0.78 . . mM . . . . 6505 3 2 NaN3 . . . . . . . 0.02 . . % . . . . 6505 3 3 DTT . . . . . . . 10 . . mM . . . . 6505 3 4 CaCl2 . . . . . . . 5 . . mM . . . . 6505 3 5 NaCl . . . . . . . 100 . . mM . . . . 6505 3 6 MES . . . . . . . 20 . . mM . . . . 6505 3 7 D2O . . . . . . . 5 . . % . . . . 6505 3 8 H2O . . . . . . . 95 . . % . . . . 6505 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6505 _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 6505 1 temperature 293 . K 6505 1 'ionic strength' 100 . mM 6505 1 pressure 1 . atm 6505 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6505 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6505 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6505 _Software.ID 2 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6505 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6505 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6505 3 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6505 _Software.ID 4 _Software.Name Sparky _Software.Version 3.91 _Software.Details Goddard loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6505 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6505 _Software.ID 5 _Software.Name AutoAssign _Software.Version 1.14 _Software.Details 'Zimmerman, Moseley, Montelione.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6505 5 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 6505 _Software.ID 6 _Software.Name AutoStructure _Software.Version 2.1.0 _Software.Details 'Huang, Montelione.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6505 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6505 _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 NMR_spectrometer Bruker AVANCE . 500 . . . 6505 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 6505 _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 '3D 13C-separated NOESY (aliph)' yes 1 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 2 '3D 15N-separated NOESY' yes 2 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 3 'Hi-res CH-HSQC' yes 3 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 4 HcCH-COSY yes 4 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 5 'Hi-res CH-HSQC (stereo V and L Meth.)' yes 5 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 6 HNHA yes 6 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 7 'HCCH-TOCSY (aliph)' yes 7 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 8 'HCCH-TOCSY (arom)' yes 8 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 9 HNCOCACB yes 9 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 10 HNCO yes 10 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 11 HNCA yes 11 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 12 HBHANH yes 12 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 13 HNCOCA yes 13 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 14 HBHACONH yes 14 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 15 HNCACO yes 15 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 16 HNCACB yes 16 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 1 17 '3D 13C-separated NOESY (arom)' yes 17 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY (aliph)' _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4159_MaR30_gnoesyChsqc.fid/' . . . . . . . 6505 1 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4159_MaR30_gnoesyChsqc.fid/' . . . . . . . 6505 1 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4159_MaR30_gnoesyChsqc.fid/' . . . . . . . 6505 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4159_MaR30_gnoesyChsqc.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6577_MaR30_gnoesyNhsqc.fid/' . . . . . . . 6505 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6577_MaR30_gnoesyNhsqc.fid/' . . . . . . . 6505 2 gnoesyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6577_MaR30_gnoesyNhsqc.fid/' . . . . . . . 6505 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6577_MaR30_gnoesyNhsqc.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'Hi-res CH-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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.9378_MaR30_004_092004_pfgnoesyhetzych3v2.fid/' . . . . . . . 6505 3 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.9378_MaR30_004_092004_pfgnoesyhetzych3v2.fid/' . . . . . . . 6505 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.9378_MaR30_004_092004_pfgnoesyhetzych3v2.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HcCH-COSY _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8022_MaR30_006_110104_hcch_cosy.fid/' . . . . . . . 6505 4 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8022_MaR30_006_110104_hcch_cosy.fid/' . . . . . . . 6505 4 hcch_cosy.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8022_MaR30_006_110104_hcch_cosy.fid/' . . . . . . . 6505 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8022_MaR30_006_110104_hcch_cosy.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'Hi-res CH-HSQC (stereo V and L Meth.)' _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.13_MaR30_004_120104_stereo_methyl_hsqcetgp.fid/' . . . . . . . 6505 5 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.13_MaR30_004_120104_stereo_methyl_hsqcetgp.fid/' . . . . . . . 6505 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.13_MaR30_004_120104_stereo_methyl_hsqcetgp.fid/' . . . . . . . 6505 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.13_MaR30_004_120104_stereo_methyl_hsqcetgp.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNHA _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8464_MaR30_004_110104_hnhagp3d.fid/' . . . . . . . 6505 6 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8464_MaR30_004_110104_hnhagp3d.fid/' . . . . . . . 6505 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8464_MaR30_004_110104_hnhagp3d.fid/' . . . . . . . 6505 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8464_MaR30_004_110104_hnhagp3d.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HCCH-TOCSY (aliph)' _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4897_MaR30_hcch_tocsy.fid/' . . . . . . . 6505 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4897_MaR30_hcch_tocsy.fid/' . . . . . . . 6505 7 hcch_tocsy.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4897_MaR30_hcch_tocsy.fid/' . . . . . . . 6505 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.4897_MaR30_hcch_tocsy.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'HCCH-TOCSY (arom)' _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5854_MaR30_004_111404_aromatic_hcch_tocsy.fid/' . . . . . . . 6505 8 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5854_MaR30_004_111404_aromatic_hcch_tocsy.fid/' . . . . . . . 6505 8 hcch_tocsy.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5854_MaR30_004_111404_aromatic_hcch_tocsy.fid/' . . . . . . . 6505 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5854_MaR30_004_111404_aromatic_hcch_tocsy.fid/' . . . . . . . 6505 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 6505 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCOCACB _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6553_MaR30_hncocacbgp3d.fid/' . . . . . . . 6505 9 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6553_MaR30_hncocacbgp3d.fid/' . . . . . . . 6505 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6553_MaR30_hncocacbgp3d.fid/' . . . . . . . 6505 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6553_MaR30_hncocacbgp3d.fid/' . . . . . . . 6505 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5068_MaR30_hncogp3d.fid/' . . . . . . . 6505 10 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5068_MaR30_hncogp3d.fid/' . . . . . . . 6505 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5068_MaR30_hncogp3d.fid/' . . . . . . . 6505 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5068_MaR30_hncogp3d.fid/' . . . . . . . 6505 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5190_MaR30_hncagp3d.fid/' . . . . . . . 6505 11 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5190_MaR30_hncagp3d.fid/' . . . . . . . 6505 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5190_MaR30_hncagp3d.fid/' . . . . . . . 6505 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5190_MaR30_hncagp3d.fid/' . . . . . . . 6505 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HBHANH _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5132_MaR30_hbhanhgp3d.fid/' . . . . . . . 6505 12 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5132_MaR30_hbhanhgp3d.fid/' . . . . . . . 6505 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5132_MaR30_hbhanhgp3d.fid/' . . . . . . . 6505 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.5132_MaR30_hbhanhgp3d.fid/' . . . . . . . 6505 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HNCOCA _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.7308_MaR30_hncocagp3d.fid/' . . . . . . . 6505 13 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.7308_MaR30_hncocagp3d.fid/' . . . . . . . 6505 13 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.7308_MaR30_hncocagp3d.fid/' . . . . . . . 6505 13 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.7308_MaR30_hncocagp3d.fid/' . . . . . . . 6505 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HBHACONH _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6504_MaR30_hbhaconhgp3d.fid/' . . . . . . . 6505 14 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6504_MaR30_hbhaconhgp3d.fid/' . . . . . . . 6505 14 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6504_MaR30_hbhaconhgp3d.fid/' . . . . . . . 6505 14 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6504_MaR30_hbhaconhgp3d.fid/' . . . . . . . 6505 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HNCACO _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6599_MaR30_hncacogp3d.fid/' . . . . . . . 6505 15 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6599_MaR30_hncacogp3d.fid/' . . . . . . . 6505 15 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6599_MaR30_hncacogp3d.fid/' . . . . . . . 6505 15 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6599_MaR30_hncacogp3d.fid/' . . . . . . . 6505 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8724_MaR30_hncacbgp3d.fid/' . . . . . . . 6505 16 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8724_MaR30_hncacbgp3d.fid/' . . . . . . . 6505 16 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8724_MaR30_hncacbgp3d.fid/' . . . . . . . 6505 16 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.8724_MaR30_hncacbgp3d.fid/' . . . . . . . 6505 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 6505 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 13C-separated NOESY (arom)' _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 $NMR_spectrometer _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 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6168_MaR30_004_102204_aromatic_gnoesyChsqc.fid/' . . . . . . . 6505 17 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6168_MaR30_004_102204_aromatic_gnoesyChsqc.fid/' . . . . . . . 6505 17 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6168_MaR30_004_102204_aromatic_gnoesyChsqc.fid/' . . . . . . . 6505 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6505/timedomain_data/PRS.I.6168_MaR30_004_102204_aromatic_gnoesyChsqc.fid/' . . . . . . . 6505 17 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6505 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . external cylindrical parallel 2 $ref-2 . . . . 6505 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel 2 $ref-2 . . . . 6505 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect . external cylindrical parallel 2 $ref-2 . . . . 6505 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6505 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6505 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 HE1 H 1 2.113 0.02 . 1 . . . . . . . . 6505 1 2 . 1 1 1 1 MET HE2 H 1 2.113 0.02 . 1 . . . . . . . . 6505 1 3 . 1 1 1 1 MET HE3 H 1 2.113 0.02 . 1 . . . . . . . . 6505 1 4 . 1 1 1 1 MET CE C 13 17.070 0.1 . 1 . . . . . . . . 6505 1 5 . 1 1 2 2 PHE HA H 1 4.689 0.02 . 1 . . . . . . . . 6505 1 6 . 1 1 2 2 PHE HB2 H 1 3.124 0.02 . 2 . . . . . . . . 6505 1 7 . 1 1 2 2 PHE HB3 H 1 3.126 0.02 . 2 . . . . . . . . 6505 1 8 . 1 1 2 2 PHE C C 13 175.077 0.1 . 1 . . . . . . . . 6505 1 9 . 1 1 2 2 PHE CA C 13 58.297 0.1 . 1 . . . . . . . . 6505 1 10 . 1 1 2 2 PHE CB C 13 39.802 0.1 . 1 . . . . . . . . 6505 1 11 . 1 1 2 2 PHE CD1 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 12 . 1 1 2 2 PHE CD2 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 13 . 1 1 2 2 PHE HD1 H 1 7.312 0.02 . 1 . . . . . . . . 6505 1 14 . 1 1 2 2 PHE HD2 H 1 7.312 0.02 . 1 . . . . . . . . 6505 1 15 . 1 1 2 2 PHE HE1 H 1 7.396 0.02 . 1 . . . . . . . . 6505 1 16 . 1 1 2 2 PHE HE2 H 1 7.396 0.02 . 1 . . . . . . . . 6505 1 17 . 1 1 2 2 PHE CE1 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 18 . 1 1 2 2 PHE CE2 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 19 . 1 1 3 3 ARG H H 1 8.310 0.02 . 1 . . . . . . . . 6505 1 20 . 1 1 3 3 ARG HA H 1 4.289 0.02 . 1 . . . . . . . . 6505 1 21 . 1 1 3 3 ARG HB2 H 1 1.800 0.02 . 2 . . . . . . . . 6505 1 22 . 1 1 3 3 ARG HB3 H 1 1.697 0.02 . 2 . . . . . . . . 6505 1 23 . 1 1 3 3 ARG HG2 H 1 1.551 0.02 . 2 . . . . . . . . 6505 1 24 . 1 1 3 3 ARG HG3 H 1 1.550 0.02 . 2 . . . . . . . . 6505 1 25 . 1 1 3 3 ARG HD2 H 1 3.191 0.02 . 2 . . . . . . . . 6505 1 26 . 1 1 3 3 ARG HD3 H 1 3.195 0.02 . 2 . . . . . . . . 6505 1 27 . 1 1 3 3 ARG C C 13 175.452 0.1 . 1 . . . . . . . . 6505 1 28 . 1 1 3 3 ARG CA C 13 56.005 0.1 . 1 . . . . . . . . 6505 1 29 . 1 1 3 3 ARG CB C 13 31.385 0.1 . 1 . . . . . . . . 6505 1 30 . 1 1 3 3 ARG CG C 13 27.285 0.1 . 1 . . . . . . . . 6505 1 31 . 1 1 3 3 ARG CD C 13 43.555 0.1 . 1 . . . . . . . . 6505 1 32 . 1 1 3 3 ARG N N 15 124.615 0.1 . 1 . . . . . . . . 6505 1 33 . 1 1 4 4 GLU H H 1 8.514 0.02 . 1 . . . . . . . . 6505 1 34 . 1 1 4 4 GLU HA H 1 4.222 0.02 . 1 . . . . . . . . 6505 1 35 . 1 1 4 4 GLU HB2 H 1 2.083 0.02 . 2 . . . . . . . . 6505 1 36 . 1 1 4 4 GLU HB3 H 1 1.972 0.02 . 2 . . . . . . . . 6505 1 37 . 1 1 4 4 GLU HG2 H 1 2.309 0.02 . 2 . . . . . . . . 6505 1 38 . 1 1 4 4 GLU HG3 H 1 2.307 0.02 . 2 . . . . . . . . 6505 1 39 . 1 1 4 4 GLU C C 13 176.592 0.1 . 1 . . . . . . . . 6505 1 40 . 1 1 4 4 GLU CA C 13 56.993 0.1 . 1 . . . . . . . . 6505 1 41 . 1 1 4 4 GLU CB C 13 30.375 0.1 . 1 . . . . . . . . 6505 1 42 . 1 1 4 4 GLU CG C 13 36.432 0.1 . 1 . . . . . . . . 6505 1 43 . 1 1 4 4 GLU N N 15 123.225 0.1 . 1 . . . . . . . . 6505 1 44 . 1 1 5 5 GLU H H 1 8.620 0.02 . 1 . . . . . . . . 6505 1 45 . 1 1 5 5 GLU HA H 1 4.313 0.02 . 1 . . . . . . . . 6505 1 46 . 1 1 5 5 GLU HB2 H 1 2.096 0.02 . 2 . . . . . . . . 6505 1 47 . 1 1 5 5 GLU HB3 H 1 1.977 0.02 . 2 . . . . . . . . 6505 1 48 . 1 1 5 5 GLU HG2 H 1 2.310 0.02 . 2 . . . . . . . . 6505 1 49 . 1 1 5 5 GLU HG3 H 1 2.306 0.02 . 2 . . . . . . . . 6505 1 50 . 1 1 5 5 GLU C C 13 176.572 0.1 . 1 . . . . . . . . 6505 1 51 . 1 1 5 5 GLU CA C 13 56.959 0.1 . 1 . . . . . . . . 6505 1 52 . 1 1 5 5 GLU CB C 13 30.435 0.1 . 1 . . . . . . . . 6505 1 53 . 1 1 5 5 GLU CG C 13 36.430 0.1 . 1 . . . . . . . . 6505 1 54 . 1 1 5 5 GLU N N 15 122.412 0.1 . 1 . . . . . . . . 6505 1 55 . 1 1 6 6 SER H H 1 8.401 0.02 . 1 . . . . . . . . 6505 1 56 . 1 1 6 6 SER HA H 1 4.458 0.02 . 1 . . . . . . . . 6505 1 57 . 1 1 6 6 SER HB2 H 1 3.880 0.02 . 2 . . . . . . . . 6505 1 58 . 1 1 6 6 SER HB3 H 1 3.882 0.02 . 2 . . . . . . . . 6505 1 59 . 1 1 6 6 SER C C 13 174.405 0.1 . 1 . . . . . . . . 6505 1 60 . 1 1 6 6 SER CA C 13 58.602 0.1 . 1 . . . . . . . . 6505 1 61 . 1 1 6 6 SER CB C 13 63.898 0.1 . 1 . . . . . . . . 6505 1 62 . 1 1 6 6 SER N N 15 117.203 0.1 . 1 . . . . . . . . 6505 1 63 . 1 1 7 7 ARG H H 1 8.390 0.02 . 1 . . . . . . . . 6505 1 64 . 1 1 7 7 ARG HA H 1 4.458 0.02 . 1 . . . . . . . . 6505 1 65 . 1 1 7 7 ARG HB2 H 1 1.791 0.02 . 2 . . . . . . . . 6505 1 66 . 1 1 7 7 ARG HB3 H 1 1.924 0.02 . 2 . . . . . . . . 6505 1 67 . 1 1 7 7 ARG HG2 H 1 1.665 0.02 . 2 . . . . . . . . 6505 1 68 . 1 1 7 7 ARG HG3 H 1 1.669 0.02 . 2 . . . . . . . . 6505 1 69 . 1 1 7 7 ARG HD2 H 1 3.229 0.02 . 2 . . . . . . . . 6505 1 70 . 1 1 7 7 ARG HD3 H 1 3.225 0.02 . 2 . . . . . . . . 6505 1 71 . 1 1 7 7 ARG C C 13 176.303 0.1 . 1 . . . . . . . . 6505 1 72 . 1 1 7 7 ARG CA C 13 56.094 0.1 . 1 . . . . . . . . 6505 1 73 . 1 1 7 7 ARG CB C 13 31.241 0.1 . 1 . . . . . . . . 6505 1 74 . 1 1 7 7 ARG CG C 13 27.200 0.1 . 1 . . . . . . . . 6505 1 75 . 1 1 7 7 ARG CD C 13 43.668 0.1 . 1 . . . . . . . . 6505 1 76 . 1 1 7 7 ARG N N 15 123.320 0.1 . 1 . . . . . . . . 6505 1 77 . 1 1 8 8 SER H H 1 8.513 0.02 . 1 . . . . . . . . 6505 1 78 . 1 1 8 8 SER HA H 1 4.458 0.02 . 1 . . . . . . . . 6505 1 79 . 1 1 8 8 SER HB2 H 1 3.871 0.02 . 2 . . . . . . . . 6505 1 80 . 1 1 8 8 SER HB3 H 1 3.874 0.02 . 2 . . . . . . . . 6505 1 81 . 1 1 8 8 SER C C 13 174.085 0.1 . 1 . . . . . . . . 6505 1 82 . 1 1 8 8 SER CA C 13 58.794 0.1 . 1 . . . . . . . . 6505 1 83 . 1 1 8 8 SER CB C 13 63.931 0.1 . 1 . . . . . . . . 6505 1 84 . 1 1 8 8 SER N N 15 118.300 0.1 . 1 . . . . . . . . 6505 1 85 . 1 1 9 9 VAL H H 1 8.023 0.02 . 1 . . . . . . . . 6505 1 86 . 1 1 9 9 VAL HA H 1 4.148 0.02 . 1 . . . . . . . . 6505 1 87 . 1 1 9 9 VAL HB H 1 1.640 0.02 . 1 . . . . . . . . 6505 1 88 . 1 1 9 9 VAL HG11 H 1 0.612 0.02 . 1 . . . . . . . . 6505 1 89 . 1 1 9 9 VAL HG12 H 1 0.612 0.02 . 1 . . . . . . . . 6505 1 90 . 1 1 9 9 VAL HG13 H 1 0.612 0.02 . 1 . . . . . . . . 6505 1 91 . 1 1 9 9 VAL HG21 H 1 0.806 0.02 . 1 . . . . . . . . 6505 1 92 . 1 1 9 9 VAL HG22 H 1 0.806 0.02 . 1 . . . . . . . . 6505 1 93 . 1 1 9 9 VAL HG23 H 1 0.806 0.02 . 1 . . . . . . . . 6505 1 94 . 1 1 9 9 VAL C C 13 175.876 0.1 . 1 . . . . . . . . 6505 1 95 . 1 1 9 9 VAL CA C 13 59.439 0.1 . 1 . . . . . . . . 6505 1 96 . 1 1 9 9 VAL CB C 13 32.775 0.1 . 1 . . . . . . . . 6505 1 97 . 1 1 9 9 VAL CG1 C 13 21.699 0.1 . 1 . . . . . . . . 6505 1 98 . 1 1 9 9 VAL CG2 C 13 20.478 0.1 . 1 . . . . . . . . 6505 1 99 . 1 1 9 9 VAL N N 15 122.142 0.1 . 1 . . . . . . . . 6505 1 100 . 1 1 10 10 PRO HA H 1 4.359 0.02 . 1 . . . . . . . . 6505 1 101 . 1 1 10 10 PRO HB2 H 1 2.053 0.02 . 2 . . . . . . . . 6505 1 102 . 1 1 10 10 PRO HB3 H 1 1.786 0.02 . 2 . . . . . . . . 6505 1 103 . 1 1 10 10 PRO HG2 H 1 2.143 0.02 . 2 . . . . . . . . 6505 1 104 . 1 1 10 10 PRO HG3 H 1 1.531 0.02 . 2 . . . . . . . . 6505 1 105 . 1 1 10 10 PRO HD2 H 1 3.560 0.02 . 2 . . . . . . . . 6505 1 106 . 1 1 10 10 PRO HD3 H 1 2.701 0.02 . 2 . . . . . . . . 6505 1 107 . 1 1 10 10 PRO C C 13 175.440 0.1 . 1 . . . . . . . . 6505 1 108 . 1 1 10 10 PRO CA C 13 64.464 0.1 . 1 . . . . . . . . 6505 1 109 . 1 1 10 10 PRO CB C 13 32.393 0.1 . 1 . . . . . . . . 6505 1 110 . 1 1 10 10 PRO CG C 13 27.518 0.1 . 1 . . . . . . . . 6505 1 111 . 1 1 10 10 PRO CD C 13 50.761 0.1 . 1 . . . . . . . . 6505 1 112 . 1 1 11 11 VAL H H 1 6.202 0.02 . 1 . . . . . . . . 6505 1 113 . 1 1 11 11 VAL HA H 1 4.845 0.02 . 1 . . . . . . . . 6505 1 114 . 1 1 11 11 VAL HB H 1 1.829 0.02 . 1 . . . . . . . . 6505 1 115 . 1 1 11 11 VAL HG21 H 1 0.451 0.02 . 1 . . . . . . . . 6505 1 116 . 1 1 11 11 VAL HG22 H 1 0.451 0.02 . 1 . . . . . . . . 6505 1 117 . 1 1 11 11 VAL HG23 H 1 0.451 0.02 . 1 . . . . . . . . 6505 1 118 . 1 1 11 11 VAL HG11 H 1 0.367 0.02 . 1 . . . . . . . . 6505 1 119 . 1 1 11 11 VAL HG12 H 1 0.367 0.02 . 1 . . . . . . . . 6505 1 120 . 1 1 11 11 VAL HG13 H 1 0.367 0.02 . 1 . . . . . . . . 6505 1 121 . 1 1 11 11 VAL C C 13 173.256 0.1 . 1 . . . . . . . . 6505 1 122 . 1 1 11 11 VAL CA C 13 58.412 0.1 . 1 . . . . . . . . 6505 1 123 . 1 1 11 11 VAL CB C 13 35.455 0.1 . 1 . . . . . . . . 6505 1 124 . 1 1 11 11 VAL CG2 C 13 18.936 0.1 . 1 . . . . . . . . 6505 1 125 . 1 1 11 11 VAL CG1 C 13 22.531 0.1 . 1 . . . . . . . . 6505 1 126 . 1 1 11 11 VAL N N 15 107.845 0.1 . 1 . . . . . . . . 6505 1 127 . 1 1 12 12 GLU H H 1 7.943 0.02 . 1 . . . . . . . . 6505 1 128 . 1 1 12 12 GLU HA H 1 4.524 0.02 . 1 . . . . . . . . 6505 1 129 . 1 1 12 12 GLU HB2 H 1 1.722 0.02 . 2 . . . . . . . . 6505 1 130 . 1 1 12 12 GLU HB3 H 1 1.970 0.02 . 2 . . . . . . . . 6505 1 131 . 1 1 12 12 GLU HG2 H 1 2.203 0.02 . 2 . . . . . . . . 6505 1 132 . 1 1 12 12 GLU HG3 H 1 2.200 0.02 . 2 . . . . . . . . 6505 1 133 . 1 1 12 12 GLU C C 13 175.182 0.1 . 1 . . . . . . . . 6505 1 134 . 1 1 12 12 GLU CA C 13 54.276 0.1 . 1 . . . . . . . . 6505 1 135 . 1 1 12 12 GLU CB C 13 33.866 0.1 . 1 . . . . . . . . 6505 1 136 . 1 1 12 12 GLU CG C 13 36.215 0.1 . 1 . . . . . . . . 6505 1 137 . 1 1 12 12 GLU N N 15 118.615 0.1 . 1 . . . . . . . . 6505 1 138 . 1 1 13 13 GLU H H 1 8.852 0.02 . 1 . . . . . . . . 6505 1 139 . 1 1 13 13 GLU HA H 1 3.612 0.02 . 1 . . . . . . . . 6505 1 140 . 1 1 13 13 GLU HB2 H 1 1.991 0.02 . 2 . . . . . . . . 6505 1 141 . 1 1 13 13 GLU HB3 H 1 1.973 0.02 . 2 . . . . . . . . 6505 1 142 . 1 1 13 13 GLU HG2 H 1 2.403 0.02 . 2 . . . . . . . . 6505 1 143 . 1 1 13 13 GLU HG3 H 1 2.156 0.02 . 2 . . . . . . . . 6505 1 144 . 1 1 13 13 GLU C C 13 177.357 0.1 . 1 . . . . . . . . 6505 1 145 . 1 1 13 13 GLU CA C 13 58.882 0.1 . 1 . . . . . . . . 6505 1 146 . 1 1 13 13 GLU CB C 13 29.546 0.1 . 1 . . . . . . . . 6505 1 147 . 1 1 13 13 GLU CG C 13 37.576 0.1 . 1 . . . . . . . . 6505 1 148 . 1 1 13 13 GLU N N 15 121.932 0.1 . 1 . . . . . . . . 6505 1 149 . 1 1 14 14 GLY H H 1 9.262 0.02 . 1 . . . . . . . . 6505 1 150 . 1 1 14 14 GLY HA2 H 1 4.436 0.02 . 2 . . . . . . . . 6505 1 151 . 1 1 14 14 GLY HA3 H 1 3.573 0.02 . 2 . . . . . . . . 6505 1 152 . 1 1 14 14 GLY C C 13 173.820 0.1 . 1 . . . . . . . . 6505 1 153 . 1 1 14 14 GLY CA C 13 45.449 0.1 . 1 . . . . . . . . 6505 1 154 . 1 1 14 14 GLY N N 15 113.295 0.1 . 1 . . . . . . . . 6505 1 155 . 1 1 15 15 GLU H H 1 7.554 0.02 . 1 . . . . . . . . 6505 1 156 . 1 1 15 15 GLU HA H 1 4.322 0.02 . 1 . . . . . . . . 6505 1 157 . 1 1 15 15 GLU HB2 H 1 2.307 0.02 . 2 . . . . . . . . 6505 1 158 . 1 1 15 15 GLU HB3 H 1 1.868 0.02 . 2 . . . . . . . . 6505 1 159 . 1 1 15 15 GLU HG2 H 1 2.312 0.02 . 2 . . . . . . . . 6505 1 160 . 1 1 15 15 GLU HG3 H 1 2.077 0.02 . 2 . . . . . . . . 6505 1 161 . 1 1 15 15 GLU C C 13 174.468 0.1 . 1 . . . . . . . . 6505 1 162 . 1 1 15 15 GLU CA C 13 56.098 0.1 . 1 . . . . . . . . 6505 1 163 . 1 1 15 15 GLU CB C 13 31.948 0.1 . 1 . . . . . . . . 6505 1 164 . 1 1 15 15 GLU CG C 13 37.547 0.1 . 1 . . . . . . . . 6505 1 165 . 1 1 15 15 GLU N N 15 120.190 0.1 . 1 . . . . . . . . 6505 1 166 . 1 1 16 16 VAL H H 1 7.843 0.02 . 1 . . . . . . . . 6505 1 167 . 1 1 16 16 VAL HA H 1 5.556 0.02 . 1 . . . . . . . . 6505 1 168 . 1 1 16 16 VAL HB H 1 1.705 0.02 . 1 . . . . . . . . 6505 1 169 . 1 1 16 16 VAL HG11 H 1 0.844 0.02 . 2 . . . . . . . . 6505 1 170 . 1 1 16 16 VAL HG12 H 1 0.844 0.02 . 2 . . . . . . . . 6505 1 171 . 1 1 16 16 VAL HG13 H 1 0.844 0.02 . 2 . . . . . . . . 6505 1 172 . 1 1 16 16 VAL HG21 H 1 0.843 0.02 . 2 . . . . . . . . 6505 1 173 . 1 1 16 16 VAL HG22 H 1 0.843 0.02 . 2 . . . . . . . . 6505 1 174 . 1 1 16 16 VAL HG23 H 1 0.843 0.02 . 2 . . . . . . . . 6505 1 175 . 1 1 16 16 VAL C C 13 175.852 0.1 . 1 . . . . . . . . 6505 1 176 . 1 1 16 16 VAL CA C 13 59.824 0.1 . 1 . . . . . . . . 6505 1 177 . 1 1 16 16 VAL CB C 13 34.339 0.1 . 1 . . . . . . . . 6505 1 178 . 1 1 16 16 VAL CG1 C 13 21.089 0.1 . 2 . . . . . . . . 6505 1 179 . 1 1 16 16 VAL CG2 C 13 21.095 0.1 . 2 . . . . . . . . 6505 1 180 . 1 1 16 16 VAL N N 15 118.532 0.1 . 1 . . . . . . . . 6505 1 181 . 1 1 17 17 TYR H H 1 8.766 0.02 . 1 . . . . . . . . 6505 1 182 . 1 1 17 17 TYR HA H 1 4.752 0.02 . 1 . . . . . . . . 6505 1 183 . 1 1 17 17 TYR HB2 H 1 2.993 0.02 . 2 . . . . . . . . 6505 1 184 . 1 1 17 17 TYR HB3 H 1 2.210 0.02 . 2 . . . . . . . . 6505 1 185 . 1 1 17 17 TYR HE1 H 1 6.787 0.02 . 1 . . . . . . . . 6505 1 186 . 1 1 17 17 TYR HE2 H 1 6.787 0.02 . 1 . . . . . . . . 6505 1 187 . 1 1 17 17 TYR HD1 H 1 6.948 0.02 . 1 . . . . . . . . 6505 1 188 . 1 1 17 17 TYR HD2 H 1 6.948 0.02 . 1 . . . . . . . . 6505 1 189 . 1 1 17 17 TYR C C 13 173.724 0.1 . 1 . . . . . . . . 6505 1 190 . 1 1 17 17 TYR CA C 13 56.997 0.1 . 1 . . . . . . . . 6505 1 191 . 1 1 17 17 TYR CB C 13 44.014 0.1 . 1 . . . . . . . . 6505 1 192 . 1 1 17 17 TYR CE1 C 13 118.420 0.1 . 1 . . . . . . . . 6505 1 193 . 1 1 17 17 TYR CE2 C 13 118.420 0.1 . 1 . . . . . . . . 6505 1 194 . 1 1 17 17 TYR CD1 C 13 133.321 0.1 . 1 . . . . . . . . 6505 1 195 . 1 1 17 17 TYR CD2 C 13 133.321 0.1 . 1 . . . . . . . . 6505 1 196 . 1 1 17 17 TYR N N 15 121.802 0.1 . 1 . . . . . . . . 6505 1 197 . 1 1 18 18 ASP H H 1 8.779 0.02 . 1 . . . . . . . . 6505 1 198 . 1 1 18 18 ASP HA H 1 5.510 0.02 . 1 . . . . . . . . 6505 1 199 . 1 1 18 18 ASP HB2 H 1 2.638 0.02 . 2 . . . . . . . . 6505 1 200 . 1 1 18 18 ASP HB3 H 1 2.576 0.02 . 2 . . . . . . . . 6505 1 201 . 1 1 18 18 ASP C C 13 176.120 0.1 . 1 . . . . . . . . 6505 1 202 . 1 1 18 18 ASP CA C 13 54.706 0.1 . 1 . . . . . . . . 6505 1 203 . 1 1 18 18 ASP CB C 13 41.896 0.1 . 1 . . . . . . . . 6505 1 204 . 1 1 18 18 ASP N N 15 122.928 0.1 . 1 . . . . . . . . 6505 1 205 . 1 1 19 19 VAL H H 1 9.040 0.02 . 1 . . . . . . . . 6505 1 206 . 1 1 19 19 VAL HA H 1 5.016 0.02 . 1 . . . . . . . . 6505 1 207 . 1 1 19 19 VAL HB H 1 2.202 0.02 . 1 . . . . . . . . 6505 1 208 . 1 1 19 19 VAL HG11 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 209 . 1 1 19 19 VAL HG12 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 210 . 1 1 19 19 VAL HG13 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 211 . 1 1 19 19 VAL HG21 H 1 0.646 0.02 . 1 . . . . . . . . 6505 1 212 . 1 1 19 19 VAL HG22 H 1 0.646 0.02 . 1 . . . . . . . . 6505 1 213 . 1 1 19 19 VAL HG23 H 1 0.646 0.02 . 1 . . . . . . . . 6505 1 214 . 1 1 19 19 VAL C C 13 174.733 0.1 . 1 . . . . . . . . 6505 1 215 . 1 1 19 19 VAL CA C 13 59.138 0.1 . 1 . . . . . . . . 6505 1 216 . 1 1 19 19 VAL CB C 13 36.836 0.1 . 1 . . . . . . . . 6505 1 217 . 1 1 19 19 VAL CG1 C 13 21.799 0.1 . 1 . . . . . . . . 6505 1 218 . 1 1 19 19 VAL CG2 C 13 19.116 0.1 . 1 . . . . . . . . 6505 1 219 . 1 1 19 19 VAL N N 15 115.509 0.1 . 1 . . . . . . . . 6505 1 220 . 1 1 20 20 THR H H 1 8.130 0.02 . 1 . . . . . . . . 6505 1 221 . 1 1 20 20 THR HA H 1 5.354 0.02 . 1 . . . . . . . . 6505 1 222 . 1 1 20 20 THR HB H 1 3.905 0.02 . 1 . . . . . . . . 6505 1 223 . 1 1 20 20 THR HG21 H 1 1.110 0.02 . 1 . . . . . . . . 6505 1 224 . 1 1 20 20 THR HG22 H 1 1.110 0.02 . 1 . . . . . . . . 6505 1 225 . 1 1 20 20 THR HG23 H 1 1.110 0.02 . 1 . . . . . . . . 6505 1 226 . 1 1 20 20 THR C C 13 174.681 0.1 . 1 . . . . . . . . 6505 1 227 . 1 1 20 20 THR CA C 13 61.119 0.1 . 1 . . . . . . . . 6505 1 228 . 1 1 20 20 THR CB C 13 70.584 0.1 . 1 . . . . . . . . 6505 1 229 . 1 1 20 20 THR CG2 C 13 21.571 0.1 . 1 . . . . . . . . 6505 1 230 . 1 1 20 20 THR N N 15 116.340 0.1 . 1 . . . . . . . . 6505 1 231 . 1 1 21 21 ILE H H 1 9.022 0.02 . 1 . . . . . . . . 6505 1 232 . 1 1 21 21 ILE HA H 1 4.082 0.02 . 1 . . . . . . . . 6505 1 233 . 1 1 21 21 ILE HB H 1 2.522 0.02 . 1 . . . . . . . . 6505 1 234 . 1 1 21 21 ILE HG12 H 1 1.833 0.02 . 2 . . . . . . . . 6505 1 235 . 1 1 21 21 ILE HG13 H 1 1.494 0.02 . 2 . . . . . . . . 6505 1 236 . 1 1 21 21 ILE HG21 H 1 0.879 0.02 . 1 . . . . . . . . 6505 1 237 . 1 1 21 21 ILE HG22 H 1 0.879 0.02 . 1 . . . . . . . . 6505 1 238 . 1 1 21 21 ILE HG23 H 1 0.879 0.02 . 1 . . . . . . . . 6505 1 239 . 1 1 21 21 ILE HD11 H 1 0.519 0.02 . 1 . . . . . . . . 6505 1 240 . 1 1 21 21 ILE HD12 H 1 0.519 0.02 . 1 . . . . . . . . 6505 1 241 . 1 1 21 21 ILE HD13 H 1 0.519 0.02 . 1 . . . . . . . . 6505 1 242 . 1 1 21 21 ILE C C 13 177.433 0.1 . 1 . . . . . . . . 6505 1 243 . 1 1 21 21 ILE CA C 13 59.640 0.1 . 1 . . . . . . . . 6505 1 244 . 1 1 21 21 ILE CB C 13 34.250 0.1 . 1 . . . . . . . . 6505 1 245 . 1 1 21 21 ILE CG1 C 13 25.799 0.1 . 1 . . . . . . . . 6505 1 246 . 1 1 21 21 ILE CG2 C 13 17.740 0.1 . 1 . . . . . . . . 6505 1 247 . 1 1 21 21 ILE CD1 C 13 9.182 0.1 . 1 . . . . . . . . 6505 1 248 . 1 1 21 21 ILE N N 15 127.525 0.1 . 1 . . . . . . . . 6505 1 249 . 1 1 22 22 GLN H H 1 9.099 0.02 . 1 . . . . . . . . 6505 1 250 . 1 1 22 22 GLN HA H 1 4.579 0.02 . 1 . . . . . . . . 6505 1 251 . 1 1 22 22 GLN HB2 H 1 2.232 0.02 . 2 . . . . . . . . 6505 1 252 . 1 1 22 22 GLN HB3 H 1 1.895 0.02 . 2 . . . . . . . . 6505 1 253 . 1 1 22 22 GLN HG2 H 1 2.497 0.02 . 2 . . . . . . . . 6505 1 254 . 1 1 22 22 GLN HG3 H 1 2.481 0.02 . 2 . . . . . . . . 6505 1 255 . 1 1 22 22 GLN HE21 H 1 7.640 0.02 . 2 . . . . . . . . 6505 1 256 . 1 1 22 22 GLN HE22 H 1 7.011 0.02 . 2 . . . . . . . . 6505 1 257 . 1 1 22 22 GLN C C 13 174.552 0.1 . 1 . . . . . . . . 6505 1 258 . 1 1 22 22 GLN CA C 13 56.908 0.1 . 1 . . . . . . . . 6505 1 259 . 1 1 22 22 GLN CB C 13 32.327 0.1 . 1 . . . . . . . . 6505 1 260 . 1 1 22 22 GLN CG C 13 33.938 0.1 . 1 . . . . . . . . 6505 1 261 . 1 1 22 22 GLN N N 15 128.004 0.1 . 1 . . . . . . . . 6505 1 262 . 1 1 22 22 GLN NE2 N 15 112.303 0.1 . 1 . . . . . . . . 6505 1 263 . 1 1 23 23 ASP H H 1 7.946 0.02 . 1 . . . . . . . . 6505 1 264 . 1 1 23 23 ASP HA H 1 4.859 0.02 . 1 . . . . . . . . 6505 1 265 . 1 1 23 23 ASP HB2 H 1 2.521 0.02 . 2 . . . . . . . . 6505 1 266 . 1 1 23 23 ASP HB3 H 1 2.514 0.02 . 2 . . . . . . . . 6505 1 267 . 1 1 23 23 ASP C C 13 172.685 0.1 . 1 . . . . . . . . 6505 1 268 . 1 1 23 23 ASP CA C 13 52.977 0.1 . 1 . . . . . . . . 6505 1 269 . 1 1 23 23 ASP CB C 13 45.147 0.1 . 1 . . . . . . . . 6505 1 270 . 1 1 23 23 ASP N N 15 118.006 0.1 . 1 . . . . . . . . 6505 1 271 . 1 1 24 24 ILE H H 1 8.982 0.02 . 1 . . . . . . . . 6505 1 272 . 1 1 24 24 ILE HA H 1 4.740 0.02 . 1 . . . . . . . . 6505 1 273 . 1 1 24 24 ILE HB H 1 1.807 0.02 . 1 . . . . . . . . 6505 1 274 . 1 1 24 24 ILE HG12 H 1 1.372 0.02 . 2 . . . . . . . . 6505 1 275 . 1 1 24 24 ILE HG13 H 1 1.432 0.02 . 2 . . . . . . . . 6505 1 276 . 1 1 24 24 ILE HG21 H 1 0.958 0.02 . 1 . . . . . . . . 6505 1 277 . 1 1 24 24 ILE HG22 H 1 0.958 0.02 . 1 . . . . . . . . 6505 1 278 . 1 1 24 24 ILE HG23 H 1 0.958 0.02 . 1 . . . . . . . . 6505 1 279 . 1 1 24 24 ILE HD11 H 1 0.861 0.02 . 1 . . . . . . . . 6505 1 280 . 1 1 24 24 ILE HD12 H 1 0.861 0.02 . 1 . . . . . . . . 6505 1 281 . 1 1 24 24 ILE HD13 H 1 0.861 0.02 . 1 . . . . . . . . 6505 1 282 . 1 1 24 24 ILE C C 13 175.636 0.1 . 1 . . . . . . . . 6505 1 283 . 1 1 24 24 ILE CA C 13 58.740 0.1 . 1 . . . . . . . . 6505 1 284 . 1 1 24 24 ILE CB C 13 39.663 0.1 . 1 . . . . . . . . 6505 1 285 . 1 1 24 24 ILE CG1 C 13 27.099 0.1 . 1 . . . . . . . . 6505 1 286 . 1 1 24 24 ILE CG2 C 13 17.150 0.1 . 1 . . . . . . . . 6505 1 287 . 1 1 24 24 ILE CD1 C 13 11.243 0.1 . 1 . . . . . . . . 6505 1 288 . 1 1 24 24 ILE N N 15 120.052 0.1 . 1 . . . . . . . . 6505 1 289 . 1 1 25 25 ALA H H 1 9.282 0.02 . 1 . . . . . . . . 6505 1 290 . 1 1 25 25 ALA HA H 1 4.467 0.02 . 1 . . . . . . . . 6505 1 291 . 1 1 25 25 ALA HB1 H 1 1.505 0.02 . 1 . . . . . . . . 6505 1 292 . 1 1 25 25 ALA HB2 H 1 1.505 0.02 . 1 . . . . . . . . 6505 1 293 . 1 1 25 25 ALA HB3 H 1 1.505 0.02 . 1 . . . . . . . . 6505 1 294 . 1 1 25 25 ALA C C 13 179.136 0.1 . 1 . . . . . . . . 6505 1 295 . 1 1 25 25 ALA CA C 13 51.571 0.1 . 1 . . . . . . . . 6505 1 296 . 1 1 25 25 ALA CB C 13 21.197 0.1 . 1 . . . . . . . . 6505 1 297 . 1 1 25 25 ALA N N 15 129.385 0.1 . 1 . . . . . . . . 6505 1 298 . 1 1 26 26 ARG HA H 1 4.046 0.02 . 1 . . . . . . . . 6505 1 299 . 1 1 26 26 ARG HB2 H 1 1.939 0.02 . 2 . . . . . . . . 6505 1 300 . 1 1 26 26 ARG HB3 H 1 1.844 0.02 . 2 . . . . . . . . 6505 1 301 . 1 1 26 26 ARG HG2 H 1 1.728 0.02 . 2 . . . . . . . . 6505 1 302 . 1 1 26 26 ARG HG3 H 1 1.721 0.02 . 2 . . . . . . . . 6505 1 303 . 1 1 26 26 ARG HD2 H 1 3.269 0.02 . 2 . . . . . . . . 6505 1 304 . 1 1 26 26 ARG HD3 H 1 3.265 0.02 . 2 . . . . . . . . 6505 1 305 . 1 1 26 26 ARG C C 13 177.906 0.1 . 1 . . . . . . . . 6505 1 306 . 1 1 26 26 ARG CA C 13 59.621 0.1 . 1 . . . . . . . . 6505 1 307 . 1 1 26 26 ARG CB C 13 29.955 0.1 . 1 . . . . . . . . 6505 1 308 . 1 1 26 26 ARG CG C 13 27.344 0.1 . 1 . . . . . . . . 6505 1 309 . 1 1 26 26 ARG CD C 13 43.719 0.1 . 1 . . . . . . . . 6505 1 310 . 1 1 27 27 GLN H H 1 8.182 0.02 . 1 . . . . . . . . 6505 1 311 . 1 1 27 27 GLN HA H 1 4.470 0.02 . 1 . . . . . . . . 6505 1 312 . 1 1 27 27 GLN HB2 H 1 2.120 0.02 . 2 . . . . . . . . 6505 1 313 . 1 1 27 27 GLN HB3 H 1 2.125 0.02 . 2 . . . . . . . . 6505 1 314 . 1 1 27 27 GLN HG2 H 1 2.328 0.02 . 1 . . . . . . . . 6505 1 315 . 1 1 27 27 GLN HG3 H 1 2.328 0.02 . 1 . . . . . . . . 6505 1 316 . 1 1 27 27 GLN HE21 H 1 7.530 0.02 . 2 . . . . . . . . 6505 1 317 . 1 1 27 27 GLN HE22 H 1 5.790 0.02 . 2 . . . . . . . . 6505 1 318 . 1 1 27 27 GLN C C 13 176.697 0.1 . 1 . . . . . . . . 6505 1 319 . 1 1 27 27 GLN CA C 13 55.980 0.1 . 1 . . . . . . . . 6505 1 320 . 1 1 27 27 GLN CB C 13 27.172 0.1 . 1 . . . . . . . . 6505 1 321 . 1 1 27 27 GLN CG C 13 33.581 0.1 . 1 . . . . . . . . 6505 1 322 . 1 1 27 27 GLN N N 15 113.454 0.1 . 1 . . . . . . . . 6505 1 323 . 1 1 27 27 GLN NE2 N 15 110.425 0.1 . 1 . . . . . . . . 6505 1 324 . 1 1 28 28 GLY H H 1 7.832 0.02 . 1 . . . . . . . . 6505 1 325 . 1 1 28 28 GLY HA2 H 1 4.476 0.02 . 2 . . . . . . . . 6505 1 326 . 1 1 28 28 GLY HA3 H 1 3.525 0.02 . 2 . . . . . . . . 6505 1 327 . 1 1 28 28 GLY C C 13 174.390 0.1 . 1 . . . . . . . . 6505 1 328 . 1 1 28 28 GLY CA C 13 45.554 0.1 . 1 . . . . . . . . 6505 1 329 . 1 1 28 28 GLY N N 15 107.213 0.1 . 1 . . . . . . . . 6505 1 330 . 1 1 29 29 ASP H H 1 7.414 0.02 . 1 . . . . . . . . 6505 1 331 . 1 1 29 29 ASP HA H 1 4.674 0.02 . 1 . . . . . . . . 6505 1 332 . 1 1 29 29 ASP HB2 H 1 2.609 0.02 . 2 . . . . . . . . 6505 1 333 . 1 1 29 29 ASP HB3 H 1 2.337 0.02 . 2 . . . . . . . . 6505 1 334 . 1 1 29 29 ASP C C 13 175.108 0.1 . 1 . . . . . . . . 6505 1 335 . 1 1 29 29 ASP CA C 13 55.377 0.1 . 1 . . . . . . . . 6505 1 336 . 1 1 29 29 ASP CB C 13 42.025 0.1 . 1 . . . . . . . . 6505 1 337 . 1 1 29 29 ASP N N 15 120.640 0.1 . 1 . . . . . . . . 6505 1 338 . 1 1 30 30 GLY H H 1 7.725 0.02 . 1 . . . . . . . . 6505 1 339 . 1 1 30 30 GLY HA2 H 1 3.938 0.02 . 2 . . . . . . . . 6505 1 340 . 1 1 30 30 GLY HA3 H 1 4.258 0.02 . 2 . . . . . . . . 6505 1 341 . 1 1 30 30 GLY C C 13 172.750 0.1 . 1 . . . . . . . . 6505 1 342 . 1 1 30 30 GLY CA C 13 45.708 0.1 . 1 . . . . . . . . 6505 1 343 . 1 1 30 30 GLY N N 15 109.205 0.1 . 1 . . . . . . . . 6505 1 344 . 1 1 31 31 ILE H H 1 8.493 0.02 . 1 . . . . . . . . 6505 1 345 . 1 1 31 31 ILE HA H 1 4.832 0.02 . 1 . . . . . . . . 6505 1 346 . 1 1 31 31 ILE HB H 1 1.269 0.02 . 1 . . . . . . . . 6505 1 347 . 1 1 31 31 ILE HG12 H 1 1.575 0.02 . 2 . . . . . . . . 6505 1 348 . 1 1 31 31 ILE HG13 H 1 0.830 0.02 . 2 . . . . . . . . 6505 1 349 . 1 1 31 31 ILE HG21 H 1 0.661 0.02 . 1 . . . . . . . . 6505 1 350 . 1 1 31 31 ILE HG22 H 1 0.661 0.02 . 1 . . . . . . . . 6505 1 351 . 1 1 31 31 ILE HG23 H 1 0.661 0.02 . 1 . . . . . . . . 6505 1 352 . 1 1 31 31 ILE HD11 H 1 0.726 0.02 . 1 . . . . . . . . 6505 1 353 . 1 1 31 31 ILE HD12 H 1 0.726 0.02 . 1 . . . . . . . . 6505 1 354 . 1 1 31 31 ILE HD13 H 1 0.726 0.02 . 1 . . . . . . . . 6505 1 355 . 1 1 31 31 ILE C C 13 174.904 0.1 . 1 . . . . . . . . 6505 1 356 . 1 1 31 31 ILE CA C 13 61.047 0.1 . 1 . . . . . . . . 6505 1 357 . 1 1 31 31 ILE CB C 13 41.449 0.1 . 1 . . . . . . . . 6505 1 358 . 1 1 31 31 ILE CG1 C 13 28.072 0.1 . 1 . . . . . . . . 6505 1 359 . 1 1 31 31 ILE CG2 C 13 17.563 0.1 . 1 . . . . . . . . 6505 1 360 . 1 1 31 31 ILE CD1 C 13 14.185 0.1 . 1 . . . . . . . . 6505 1 361 . 1 1 31 31 ILE N N 15 120.622 0.1 . 1 . . . . . . . . 6505 1 362 . 1 1 32 32 ALA H H 1 9.237 0.02 . 1 . . . . . . . . 6505 1 363 . 1 1 32 32 ALA HA H 1 4.834 0.02 . 1 . . . . . . . . 6505 1 364 . 1 1 32 32 ALA HB1 H 1 1.180 0.02 . 1 . . . . . . . . 6505 1 365 . 1 1 32 32 ALA HB2 H 1 1.180 0.02 . 1 . . . . . . . . 6505 1 366 . 1 1 32 32 ALA HB3 H 1 1.180 0.02 . 1 . . . . . . . . 6505 1 367 . 1 1 32 32 ALA C C 13 174.969 0.1 . 1 . . . . . . . . 6505 1 368 . 1 1 32 32 ALA CA C 13 49.468 0.1 . 1 . . . . . . . . 6505 1 369 . 1 1 32 32 ALA CB C 13 22.431 0.1 . 1 . . . . . . . . 6505 1 370 . 1 1 32 32 ALA N N 15 130.615 0.1 . 1 . . . . . . . . 6505 1 371 . 1 1 33 33 ARG H H 1 8.710 0.02 . 1 . . . . . . . . 6505 1 372 . 1 1 33 33 ARG HA H 1 5.391 0.02 . 1 . . . . . . . . 6505 1 373 . 1 1 33 33 ARG HB2 H 1 1.570 0.02 . 2 . . . . . . . . 6505 1 374 . 1 1 33 33 ARG HB3 H 1 1.141 0.02 . 2 . . . . . . . . 6505 1 375 . 1 1 33 33 ARG HG2 H 1 1.335 0.02 . 2 . . . . . . . . 6505 1 376 . 1 1 33 33 ARG HG3 H 1 1.132 0.02 . 2 . . . . . . . . 6505 1 377 . 1 1 33 33 ARG HD2 H 1 3.075 0.02 . 2 . . . . . . . . 6505 1 378 . 1 1 33 33 ARG HD3 H 1 2.918 0.02 . 2 . . . . . . . . 6505 1 379 . 1 1 33 33 ARG C C 13 176.262 0.1 . 1 . . . . . . . . 6505 1 380 . 1 1 33 33 ARG CA C 13 54.853 0.1 . 1 . . . . . . . . 6505 1 381 . 1 1 33 33 ARG CB C 13 34.821 0.1 . 1 . . . . . . . . 6505 1 382 . 1 1 33 33 ARG CG C 13 29.223 0.1 . 1 . . . . . . . . 6505 1 383 . 1 1 33 33 ARG CD C 13 43.504 0.1 . 1 . . . . . . . . 6505 1 384 . 1 1 33 33 ARG N N 15 116.951 0.1 . 1 . . . . . . . . 6505 1 385 . 1 1 34 34 ILE H H 1 8.207 0.02 . 1 . . . . . . . . 6505 1 386 . 1 1 34 34 ILE HA H 1 4.127 0.02 . 1 . . . . . . . . 6505 1 387 . 1 1 34 34 ILE HB H 1 1.278 0.02 . 1 . . . . . . . . 6505 1 388 . 1 1 34 34 ILE HG12 H 1 1.022 0.02 . 2 . . . . . . . . 6505 1 389 . 1 1 34 34 ILE HG13 H 1 0.855 0.02 . 2 . . . . . . . . 6505 1 390 . 1 1 34 34 ILE HG21 H 1 0.634 0.02 . 1 . . . . . . . . 6505 1 391 . 1 1 34 34 ILE HG22 H 1 0.634 0.02 . 1 . . . . . . . . 6505 1 392 . 1 1 34 34 ILE HG23 H 1 0.634 0.02 . 1 . . . . . . . . 6505 1 393 . 1 1 34 34 ILE HD11 H 1 0.168 0.02 . 1 . . . . . . . . 6505 1 394 . 1 1 34 34 ILE HD12 H 1 0.168 0.02 . 1 . . . . . . . . 6505 1 395 . 1 1 34 34 ILE HD13 H 1 0.168 0.02 . 1 . . . . . . . . 6505 1 396 . 1 1 34 34 ILE C C 13 175.140 0.1 . 1 . . . . . . . . 6505 1 397 . 1 1 34 34 ILE CA C 13 60.780 0.1 . 1 . . . . . . . . 6505 1 398 . 1 1 34 34 ILE CB C 13 40.328 0.1 . 1 . . . . . . . . 6505 1 399 . 1 1 34 34 ILE CG1 C 13 27.134 0.1 . 1 . . . . . . . . 6505 1 400 . 1 1 34 34 ILE CG2 C 13 17.003 0.1 . 1 . . . . . . . . 6505 1 401 . 1 1 34 34 ILE CD1 C 13 12.708 0.1 . 1 . . . . . . . . 6505 1 402 . 1 1 34 34 ILE N N 15 122.922 0.1 . 1 . . . . . . . . 6505 1 403 . 1 1 35 35 GLU H H 1 9.387 0.02 . 1 . . . . . . . . 6505 1 404 . 1 1 35 35 GLU HA H 1 3.845 0.02 . 1 . . . . . . . . 6505 1 405 . 1 1 35 35 GLU HB2 H 1 2.257 0.02 . 2 . . . . . . . . 6505 1 406 . 1 1 35 35 GLU HB3 H 1 1.976 0.02 . 2 . . . . . . . . 6505 1 407 . 1 1 35 35 GLU HG2 H 1 2.305 0.02 . 2 . . . . . . . . 6505 1 408 . 1 1 35 35 GLU HG3 H 1 2.249 0.02 . 2 . . . . . . . . 6505 1 409 . 1 1 35 35 GLU C C 13 176.849 0.1 . 1 . . . . . . . . 6505 1 410 . 1 1 35 35 GLU CA C 13 57.066 0.1 . 1 . . . . . . . . 6505 1 411 . 1 1 35 35 GLU CB C 13 27.623 0.1 . 1 . . . . . . . . 6505 1 412 . 1 1 35 35 GLU CG C 13 36.212 0.1 . 1 . . . . . . . . 6505 1 413 . 1 1 35 35 GLU N N 15 126.123 0.1 . 1 . . . . . . . . 6505 1 414 . 1 1 36 36 GLY H H 1 8.456 0.02 . 1 . . . . . . . . 6505 1 415 . 1 1 36 36 GLY HA2 H 1 4.257 0.02 . 2 . . . . . . . . 6505 1 416 . 1 1 36 36 GLY HA3 H 1 3.517 0.02 . 2 . . . . . . . . 6505 1 417 . 1 1 36 36 GLY C C 13 172.488 0.1 . 1 . . . . . . . . 6505 1 418 . 1 1 36 36 GLY CA C 13 45.687 0.1 . 1 . . . . . . . . 6505 1 419 . 1 1 36 36 GLY N N 15 103.777 0.1 . 1 . . . . . . . . 6505 1 420 . 1 1 37 37 PHE H H 1 8.322 0.02 . 1 . . . . . . . . 6505 1 421 . 1 1 37 37 PHE HA H 1 4.550 0.02 . 1 . . . . . . . . 6505 1 422 . 1 1 37 37 PHE HB2 H 1 3.215 0.02 . 2 . . . . . . . . 6505 1 423 . 1 1 37 37 PHE HB3 H 1 2.853 0.02 . 2 . . . . . . . . 6505 1 424 . 1 1 37 37 PHE C C 13 174.611 0.1 . 1 . . . . . . . . 6505 1 425 . 1 1 37 37 PHE CA C 13 58.048 0.1 . 1 . . . . . . . . 6505 1 426 . 1 1 37 37 PHE CB C 13 41.800 0.1 . 1 . . . . . . . . 6505 1 427 . 1 1 37 37 PHE N N 15 126.940 0.1 . 1 . . . . . . . . 6505 1 428 . 1 1 37 37 PHE CD1 C 13 131.68 0.1 . 1 . . . . . . . . 6505 1 429 . 1 1 37 37 PHE CD2 C 13 131.68 0.1 . 1 . . . . . . . . 6505 1 430 . 1 1 37 37 PHE CE1 C 13 131.32 0.1 . 1 . . . . . . . . 6505 1 431 . 1 1 37 37 PHE CE2 C 13 131.32 0.1 . 1 . . . . . . . . 6505 1 432 . 1 1 37 37 PHE HD1 H 1 7.022 0.02 . 1 . . . . . . . . 6505 1 433 . 1 1 37 37 PHE HD2 H 1 7.022 0.02 . 1 . . . . . . . . 6505 1 434 . 1 1 37 37 PHE HE1 H 1 7.103 0.02 . 1 . . . . . . . . 6505 1 435 . 1 1 37 37 PHE HE2 H 1 7.103 0.02 . 1 . . . . . . . . 6505 1 436 . 1 1 37 37 PHE CZ C 13 130.275 0.1 . 1 . . . . . . . . 6505 1 437 . 1 1 37 37 PHE HZ H 1 7.339 0.02 . 1 . . . . . . . . 6505 1 438 . 1 1 38 38 VAL H H 1 7.590 0.02 . 1 . . . . . . . . 6505 1 439 . 1 1 38 38 VAL HA H 1 3.554 0.02 . 1 . . . . . . . . 6505 1 440 . 1 1 38 38 VAL HB H 1 1.534 0.02 . 1 . . . . . . . . 6505 1 441 . 1 1 38 38 VAL HG21 H 1 0.834 0.02 . 1 . . . . . . . . 6505 1 442 . 1 1 38 38 VAL HG22 H 1 0.834 0.02 . 1 . . . . . . . . 6505 1 443 . 1 1 38 38 VAL HG23 H 1 0.834 0.02 . 1 . . . . . . . . 6505 1 444 . 1 1 38 38 VAL HG11 H 1 0.082 0.02 . 1 . . . . . . . . 6505 1 445 . 1 1 38 38 VAL HG12 H 1 0.082 0.02 . 1 . . . . . . . . 6505 1 446 . 1 1 38 38 VAL HG13 H 1 0.082 0.02 . 1 . . . . . . . . 6505 1 447 . 1 1 38 38 VAL C C 13 172.990 0.1 . 1 . . . . . . . . 6505 1 448 . 1 1 38 38 VAL CA C 13 64.586 0.1 . 1 . . . . . . . . 6505 1 449 . 1 1 38 38 VAL CB C 13 32.869 0.1 . 1 . . . . . . . . 6505 1 450 . 1 1 38 38 VAL CG2 C 13 23.188 0.1 . 1 . . . . . . . . 6505 1 451 . 1 1 38 38 VAL CG1 C 13 21.035 0.1 . 1 . . . . . . . . 6505 1 452 . 1 1 38 38 VAL N N 15 128.609 0.1 . 1 . . . . . . . . 6505 1 453 . 1 1 39 39 ILE H H 1 8.634 0.02 . 1 . . . . . . . . 6505 1 454 . 1 1 39 39 ILE HA H 1 4.286 0.02 . 1 . . . . . . . . 6505 1 455 . 1 1 39 39 ILE HB H 1 1.495 0.02 . 1 . . . . . . . . 6505 1 456 . 1 1 39 39 ILE HG12 H 1 1.462 0.02 . 2 . . . . . . . . 6505 1 457 . 1 1 39 39 ILE HG13 H 1 0.956 0.02 . 2 . . . . . . . . 6505 1 458 . 1 1 39 39 ILE HG21 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 459 . 1 1 39 39 ILE HG22 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 460 . 1 1 39 39 ILE HG23 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 461 . 1 1 39 39 ILE HD11 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 462 . 1 1 39 39 ILE HD12 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 463 . 1 1 39 39 ILE HD13 H 1 0.601 0.02 . 1 . . . . . . . . 6505 1 464 . 1 1 39 39 ILE C C 13 174.927 0.1 . 1 . . . . . . . . 6505 1 465 . 1 1 39 39 ILE CA C 13 58.759 0.1 . 1 . . . . . . . . 6505 1 466 . 1 1 39 39 ILE CB C 13 40.419 0.1 . 1 . . . . . . . . 6505 1 467 . 1 1 39 39 ILE CG1 C 13 27.484 0.1 . 1 . . . . . . . . 6505 1 468 . 1 1 39 39 ILE CG2 C 13 19.687 0.1 . 1 . . . . . . . . 6505 1 469 . 1 1 39 39 ILE CD1 C 13 15.194 0.1 . 1 . . . . . . . . 6505 1 470 . 1 1 39 39 ILE N N 15 125.811 0.1 . 1 . . . . . . . . 6505 1 471 . 1 1 40 40 PHE H H 1 8.844 0.02 . 1 . . . . . . . . 6505 1 472 . 1 1 40 40 PHE HA H 1 5.363 0.02 . 1 . . . . . . . . 6505 1 473 . 1 1 40 40 PHE HB2 H 1 3.116 0.02 . 2 . . . . . . . . 6505 1 474 . 1 1 40 40 PHE HB3 H 1 2.744 0.02 . 2 . . . . . . . . 6505 1 475 . 1 1 40 40 PHE C C 13 176.551 0.1 . 1 . . . . . . . . 6505 1 476 . 1 1 40 40 PHE CA C 13 56.853 0.1 . 1 . . . . . . . . 6505 1 477 . 1 1 40 40 PHE CB C 13 40.475 0.1 . 1 . . . . . . . . 6505 1 478 . 1 1 40 40 PHE N N 15 125.593 0.1 . 1 . . . . . . . . 6505 1 479 . 1 1 40 40 PHE CD1 C 13 130.941 0.1 . 1 . . . . . . . . 6505 1 480 . 1 1 40 40 PHE CD2 C 13 130.941 0.1 . 1 . . . . . . . . 6505 1 481 . 1 1 40 40 PHE CE1 C 13 130.80 0.1 . 1 . . . . . . . . 6505 1 482 . 1 1 40 40 PHE CE2 C 13 130.80 0.1 . 1 . . . . . . . . 6505 1 483 . 1 1 40 40 PHE HD1 H 1 6.560 0.02 . 1 . . . . . . . . 6505 1 484 . 1 1 40 40 PHE HD2 H 1 6.560 0.02 . 1 . . . . . . . . 6505 1 485 . 1 1 40 40 PHE HE1 H 1 6.360 0.02 . 1 . . . . . . . . 6505 1 486 . 1 1 40 40 PHE HE2 H 1 6.360 0.02 . 1 . . . . . . . . 6505 1 487 . 1 1 40 40 PHE CZ C 13 129.447 0.1 . 1 . . . . . . . . 6505 1 488 . 1 1 40 40 PHE HZ H 1 6.793 0.02 . 1 . . . . . . . . 6505 1 489 . 1 1 41 41 VAL H H 1 9.572 0.02 . 1 . . . . . . . . 6505 1 490 . 1 1 41 41 VAL HA H 1 4.892 0.02 . 1 . . . . . . . . 6505 1 491 . 1 1 41 41 VAL HB H 1 2.017 0.02 . 1 . . . . . . . . 6505 1 492 . 1 1 41 41 VAL HG11 H 1 0.750 0.02 . 1 . . . . . . . . 6505 1 493 . 1 1 41 41 VAL HG12 H 1 0.750 0.02 . 1 . . . . . . . . 6505 1 494 . 1 1 41 41 VAL HG13 H 1 0.750 0.02 . 1 . . . . . . . . 6505 1 495 . 1 1 41 41 VAL HG21 H 1 0.690 0.02 . 1 . . . . . . . . 6505 1 496 . 1 1 41 41 VAL HG22 H 1 0.690 0.02 . 1 . . . . . . . . 6505 1 497 . 1 1 41 41 VAL HG23 H 1 0.690 0.02 . 1 . . . . . . . . 6505 1 498 . 1 1 41 41 VAL C C 13 174.210 0.1 . 1 . . . . . . . . 6505 1 499 . 1 1 41 41 VAL CA C 13 58.977 0.1 . 1 . . . . . . . . 6505 1 500 . 1 1 41 41 VAL CB C 13 32.391 0.1 . 1 . . . . . . . . 6505 1 501 . 1 1 41 41 VAL CG1 C 13 24.284 0.1 . 1 . . . . . . . . 6505 1 502 . 1 1 41 41 VAL CG2 C 13 20.733 0.1 . 1 . . . . . . . . 6505 1 503 . 1 1 41 41 VAL N N 15 122.210 0.1 . 1 . . . . . . . . 6505 1 504 . 1 1 42 42 PRO HA H 1 4.636 0.02 . 1 . . . . . . . . 6505 1 505 . 1 1 42 42 PRO HB2 H 1 2.524 0.02 . 2 . . . . . . . . 6505 1 506 . 1 1 42 42 PRO HB3 H 1 1.980 0.02 . 2 . . . . . . . . 6505 1 507 . 1 1 42 42 PRO HG2 H 1 2.236 0.02 . 2 . . . . . . . . 6505 1 508 . 1 1 42 42 PRO HG3 H 1 2.176 0.02 . 2 . . . . . . . . 6505 1 509 . 1 1 42 42 PRO HD2 H 1 3.998 0.02 . 2 . . . . . . . . 6505 1 510 . 1 1 42 42 PRO HD3 H 1 4.269 0.02 . 2 . . . . . . . . 6505 1 511 . 1 1 42 42 PRO C C 13 177.423 0.1 . 1 . . . . . . . . 6505 1 512 . 1 1 42 42 PRO CA C 13 64.188 0.1 . 1 . . . . . . . . 6505 1 513 . 1 1 42 42 PRO CB C 13 33.055 0.1 . 1 . . . . . . . . 6505 1 514 . 1 1 42 42 PRO CG C 13 27.664 0.1 . 1 . . . . . . . . 6505 1 515 . 1 1 42 42 PRO CD C 13 52.088 0.1 . 1 . . . . . . . . 6505 1 516 . 1 1 43 43 GLY H H 1 8.826 0.02 . 1 . . . . . . . . 6505 1 517 . 1 1 43 43 GLY HA2 H 1 4.142 0.02 . 2 . . . . . . . . 6505 1 518 . 1 1 43 43 GLY HA3 H 1 3.935 0.02 . 2 . . . . . . . . 6505 1 519 . 1 1 43 43 GLY C C 13 175.026 0.1 . 1 . . . . . . . . 6505 1 520 . 1 1 43 43 GLY CA C 13 46.624 0.1 . 1 . . . . . . . . 6505 1 521 . 1 1 43 43 GLY N N 15 109.439 0.1 . 1 . . . . . . . . 6505 1 522 . 1 1 44 44 THR H H 1 7.497 0.02 . 1 . . . . . . . . 6505 1 523 . 1 1 44 44 THR HA H 1 4.713 0.02 . 1 . . . . . . . . 6505 1 524 . 1 1 44 44 THR HB H 1 4.365 0.02 . 1 . . . . . . . . 6505 1 525 . 1 1 44 44 THR HG21 H 1 1.101 0.02 . 1 . . . . . . . . 6505 1 526 . 1 1 44 44 THR HG22 H 1 1.101 0.02 . 1 . . . . . . . . 6505 1 527 . 1 1 44 44 THR HG23 H 1 1.101 0.02 . 1 . . . . . . . . 6505 1 528 . 1 1 44 44 THR C C 13 173.330 0.1 . 1 . . . . . . . . 6505 1 529 . 1 1 44 44 THR CA C 13 60.070 0.1 . 1 . . . . . . . . 6505 1 530 . 1 1 44 44 THR CB C 13 73.446 0.1 . 1 . . . . . . . . 6505 1 531 . 1 1 44 44 THR CG2 C 13 23.792 0.1 . 1 . . . . . . . . 6505 1 532 . 1 1 44 44 THR N N 15 107.233 0.1 . 1 . . . . . . . . 6505 1 533 . 1 1 45 45 LYS H H 1 8.801 0.02 . 1 . . . . . . . . 6505 1 534 . 1 1 45 45 LYS HA H 1 4.650 0.02 . 1 . . . . . . . . 6505 1 535 . 1 1 45 45 LYS HB2 H 1 1.833 0.02 . 2 . . . . . . . . 6505 1 536 . 1 1 45 45 LYS HB3 H 1 1.755 0.02 . 2 . . . . . . . . 6505 1 537 . 1 1 45 45 LYS HG2 H 1 1.523 0.02 . 2 . . . . . . . . 6505 1 538 . 1 1 45 45 LYS HG3 H 1 1.308 0.02 . 2 . . . . . . . . 6505 1 539 . 1 1 45 45 LYS HD2 H 1 1.702 0.02 . 2 . . . . . . . . 6505 1 540 . 1 1 45 45 LYS HD3 H 1 1.704 0.02 . 2 . . . . . . . . 6505 1 541 . 1 1 45 45 LYS HE2 H 1 3.037 0.02 . 2 . . . . . . . . 6505 1 542 . 1 1 45 45 LYS HE3 H 1 3.038 0.02 . 2 . . . . . . . . 6505 1 543 . 1 1 45 45 LYS C C 13 175.450 0.1 . 1 . . . . . . . . 6505 1 544 . 1 1 45 45 LYS CA C 13 54.223 0.1 . 1 . . . . . . . . 6505 1 545 . 1 1 45 45 LYS CB C 13 35.562 0.1 . 1 . . . . . . . . 6505 1 546 . 1 1 45 45 LYS CG C 13 24.193 0.1 . 1 . . . . . . . . 6505 1 547 . 1 1 45 45 LYS CD C 13 29.239 0.1 . 1 . . . . . . . . 6505 1 548 . 1 1 45 45 LYS CE C 13 42.264 0.1 . 1 . . . . . . . . 6505 1 549 . 1 1 45 45 LYS N N 15 119.110 0.1 . 1 . . . . . . . . 6505 1 550 . 1 1 46 46 VAL H H 1 8.229 0.02 . 1 . . . . . . . . 6505 1 551 . 1 1 46 46 VAL HA H 1 3.185 0.02 . 1 . . . . . . . . 6505 1 552 . 1 1 46 46 VAL HB H 1 1.870 0.02 . 1 . . . . . . . . 6505 1 553 . 1 1 46 46 VAL HG21 H 1 0.921 0.02 . 1 . . . . . . . . 6505 1 554 . 1 1 46 46 VAL HG22 H 1 0.921 0.02 . 1 . . . . . . . . 6505 1 555 . 1 1 46 46 VAL HG23 H 1 0.921 0.02 . 1 . . . . . . . . 6505 1 556 . 1 1 46 46 VAL HG11 H 1 0.888 0.02 . 1 . . . . . . . . 6505 1 557 . 1 1 46 46 VAL HG12 H 1 0.888 0.02 . 1 . . . . . . . . 6505 1 558 . 1 1 46 46 VAL HG13 H 1 0.888 0.02 . 1 . . . . . . . . 6505 1 559 . 1 1 46 46 VAL C C 13 177.579 0.1 . 1 . . . . . . . . 6505 1 560 . 1 1 46 46 VAL CA C 13 66.289 0.1 . 1 . . . . . . . . 6505 1 561 . 1 1 46 46 VAL CB C 13 31.057 0.1 . 1 . . . . . . . . 6505 1 562 . 1 1 46 46 VAL CG2 C 13 22.965 0.1 . 1 . . . . . . . . 6505 1 563 . 1 1 46 46 VAL CG1 C 13 21.471 0.1 . 1 . . . . . . . . 6505 1 564 . 1 1 46 46 VAL N N 15 119.518 0.1 . 1 . . . . . . . . 6505 1 565 . 1 1 47 47 GLY H H 1 8.892 0.02 . 1 . . . . . . . . 6505 1 566 . 1 1 47 47 GLY HA2 H 1 4.499 0.02 . 2 . . . . . . . . 6505 1 567 . 1 1 47 47 GLY HA3 H 1 3.574 0.02 . 2 . . . . . . . . 6505 1 568 . 1 1 47 47 GLY C C 13 174.614 0.1 . 1 . . . . . . . . 6505 1 569 . 1 1 47 47 GLY CA C 13 44.607 0.1 . 1 . . . . . . . . 6505 1 570 . 1 1 47 47 GLY N N 15 116.505 0.1 . 1 . . . . . . . . 6505 1 571 . 1 1 48 48 ASP H H 1 8.160 0.02 . 1 . . . . . . . . 6505 1 572 . 1 1 48 48 ASP HA H 1 4.528 0.02 . 1 . . . . . . . . 6505 1 573 . 1 1 48 48 ASP HB2 H 1 2.872 0.02 . 2 . . . . . . . . 6505 1 574 . 1 1 48 48 ASP HB3 H 1 2.489 0.02 . 2 . . . . . . . . 6505 1 575 . 1 1 48 48 ASP C C 13 175.072 0.1 . 1 . . . . . . . . 6505 1 576 . 1 1 48 48 ASP CA C 13 56.162 0.1 . 1 . . . . . . . . 6505 1 577 . 1 1 48 48 ASP CB C 13 41.239 0.1 . 1 . . . . . . . . 6505 1 578 . 1 1 48 48 ASP N N 15 122.408 0.1 . 1 . . . . . . . . 6505 1 579 . 1 1 49 49 GLU H H 1 8.561 0.02 . 1 . . . . . . . . 6505 1 580 . 1 1 49 49 GLU HA H 1 5.101 0.02 . 1 . . . . . . . . 6505 1 581 . 1 1 49 49 GLU HB2 H 1 1.993 0.02 . 2 . . . . . . . . 6505 1 582 . 1 1 49 49 GLU HB3 H 1 1.985 0.02 . 2 . . . . . . . . 6505 1 583 . 1 1 49 49 GLU HG2 H 1 2.370 0.02 . 2 . . . . . . . . 6505 1 584 . 1 1 49 49 GLU HG3 H 1 2.337 0.02 . 2 . . . . . . . . 6505 1 585 . 1 1 49 49 GLU C C 13 176.204 0.1 . 1 . . . . . . . . 6505 1 586 . 1 1 49 49 GLU CA C 13 55.760 0.1 . 1 . . . . . . . . 6505 1 587 . 1 1 49 49 GLU CB C 13 29.729 0.1 . 1 . . . . . . . . 6505 1 588 . 1 1 49 49 GLU CG C 13 36.249 0.1 . 1 . . . . . . . . 6505 1 589 . 1 1 49 49 GLU N N 15 124.622 0.1 . 1 . . . . . . . . 6505 1 590 . 1 1 50 50 VAL H H 1 8.516 0.02 . 1 . . . . . . . . 6505 1 591 . 1 1 50 50 VAL HA H 1 4.864 0.02 . 1 . . . . . . . . 6505 1 592 . 1 1 50 50 VAL HB H 1 2.115 0.02 . 1 . . . . . . . . 6505 1 593 . 1 1 50 50 VAL HG11 H 1 0.955 0.02 . 1 . . . . . . . . 6505 1 594 . 1 1 50 50 VAL HG12 H 1 0.955 0.02 . 1 . . . . . . . . 6505 1 595 . 1 1 50 50 VAL HG13 H 1 0.955 0.02 . 1 . . . . . . . . 6505 1 596 . 1 1 50 50 VAL HG21 H 1 0.761 0.02 . 1 . . . . . . . . 6505 1 597 . 1 1 50 50 VAL HG22 H 1 0.761 0.02 . 1 . . . . . . . . 6505 1 598 . 1 1 50 50 VAL HG23 H 1 0.761 0.02 . 1 . . . . . . . . 6505 1 599 . 1 1 50 50 VAL C C 13 173.198 0.1 . 1 . . . . . . . . 6505 1 600 . 1 1 50 50 VAL CA C 13 58.959 0.1 . 1 . . . . . . . . 6505 1 601 . 1 1 50 50 VAL CB C 13 36.189 0.1 . 1 . . . . . . . . 6505 1 602 . 1 1 50 50 VAL CG1 C 13 23.682 0.1 . 1 . . . . . . . . 6505 1 603 . 1 1 50 50 VAL CG2 C 13 19.828 0.1 . 1 . . . . . . . . 6505 1 604 . 1 1 50 50 VAL N N 15 117.128 0.1 . 1 . . . . . . . . 6505 1 605 . 1 1 51 51 ARG H H 1 8.683 0.02 . 1 . . . . . . . . 6505 1 606 . 1 1 51 51 ARG HA H 1 5.403 0.02 . 1 . . . . . . . . 6505 1 607 . 1 1 51 51 ARG HB2 H 1 1.807 0.02 . 2 . . . . . . . . 6505 1 608 . 1 1 51 51 ARG HB3 H 1 1.806 0.02 . 2 . . . . . . . . 6505 1 609 . 1 1 51 51 ARG HG2 H 1 1.514 0.02 . 2 . . . . . . . . 6505 1 610 . 1 1 51 51 ARG HG3 H 1 1.381 0.02 . 2 . . . . . . . . 6505 1 611 . 1 1 51 51 ARG HD2 H 1 3.097 0.02 . 2 . . . . . . . . 6505 1 612 . 1 1 51 51 ARG HD3 H 1 2.962 0.02 . 2 . . . . . . . . 6505 1 613 . 1 1 51 51 ARG C C 13 176.034 0.1 . 1 . . . . . . . . 6505 1 614 . 1 1 51 51 ARG CA C 13 55.140 0.1 . 1 . . . . . . . . 6505 1 615 . 1 1 51 51 ARG CB C 13 31.632 0.1 . 1 . . . . . . . . 6505 1 616 . 1 1 51 51 ARG CG C 13 27.900 0.1 . 1 . . . . . . . . 6505 1 617 . 1 1 51 51 ARG CD C 13 43.655 0.1 . 1 . . . . . . . . 6505 1 618 . 1 1 51 51 ARG N N 15 125.516 0.1 . 1 . . . . . . . . 6505 1 619 . 1 1 52 52 ILE H H 1 9.502 0.02 . 1 . . . . . . . . 6505 1 620 . 1 1 52 52 ILE HA H 1 5.510 0.02 . 1 . . . . . . . . 6505 1 621 . 1 1 52 52 ILE HB H 1 1.774 0.02 . 1 . . . . . . . . 6505 1 622 . 1 1 52 52 ILE HG12 H 1 1.193 0.02 . 2 . . . . . . . . 6505 1 623 . 1 1 52 52 ILE HG13 H 1 1.741 0.02 . 2 . . . . . . . . 6505 1 624 . 1 1 52 52 ILE HG21 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 625 . 1 1 52 52 ILE HG22 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 626 . 1 1 52 52 ILE HG23 H 1 0.756 0.02 . 1 . . . . . . . . 6505 1 627 . 1 1 52 52 ILE HD11 H 1 0.619 0.02 . 1 . . . . . . . . 6505 1 628 . 1 1 52 52 ILE HD12 H 1 0.619 0.02 . 1 . . . . . . . . 6505 1 629 . 1 1 52 52 ILE HD13 H 1 0.619 0.02 . 1 . . . . . . . . 6505 1 630 . 1 1 52 52 ILE C C 13 173.455 0.1 . 1 . . . . . . . . 6505 1 631 . 1 1 52 52 ILE CA C 13 58.396 0.1 . 1 . . . . . . . . 6505 1 632 . 1 1 52 52 ILE CB C 13 42.327 0.1 . 1 . . . . . . . . 6505 1 633 . 1 1 52 52 ILE CG1 C 13 25.599 0.1 . 1 . . . . . . . . 6505 1 634 . 1 1 52 52 ILE CG2 C 13 20.072 0.1 . 1 . . . . . . . . 6505 1 635 . 1 1 52 52 ILE CD1 C 13 15.199 0.1 . 1 . . . . . . . . 6505 1 636 . 1 1 52 52 ILE N N 15 119.205 0.1 . 1 . . . . . . . . 6505 1 637 . 1 1 53 53 LYS H H 1 9.047 0.02 . 1 . . . . . . . . 6505 1 638 . 1 1 53 53 LYS HA H 1 5.207 0.02 . 1 . . . . . . . . 6505 1 639 . 1 1 53 53 LYS HB2 H 1 1.823 0.02 . 2 . . . . . . . . 6505 1 640 . 1 1 53 53 LYS HB3 H 1 1.373 0.02 . 2 . . . . . . . . 6505 1 641 . 1 1 53 53 LYS HG2 H 1 1.118 0.02 . 2 . . . . . . . . 6505 1 642 . 1 1 53 53 LYS HG3 H 1 1.051 0.02 . 2 . . . . . . . . 6505 1 643 . 1 1 53 53 LYS HD2 H 1 1.600 0.02 . 2 . . . . . . . . 6505 1 644 . 1 1 53 53 LYS HD3 H 1 1.597 0.02 . 2 . . . . . . . . 6505 1 645 . 1 1 53 53 LYS HE2 H 1 2.892 0.02 . 1 . . . . . . . . 6505 1 646 . 1 1 53 53 LYS HE3 H 1 2.892 0.02 . 1 . . . . . . . . 6505 1 647 . 1 1 53 53 LYS C C 13 176.852 0.1 . 1 . . . . . . . . 6505 1 648 . 1 1 53 53 LYS CA C 13 54.103 0.1 . 1 . . . . . . . . 6505 1 649 . 1 1 53 53 LYS CB C 13 35.233 0.1 . 1 . . . . . . . . 6505 1 650 . 1 1 53 53 LYS CG C 13 24.605 0.1 . 1 . . . . . . . . 6505 1 651 . 1 1 53 53 LYS CD C 13 29.821 0.1 . 1 . . . . . . . . 6505 1 652 . 1 1 53 53 LYS CE C 13 41.972 0.1 . 1 . . . . . . . . 6505 1 653 . 1 1 53 53 LYS N N 15 121.810 0.1 . 1 . . . . . . . . 6505 1 654 . 1 1 54 54 VAL H H 1 8.923 0.02 . 1 . . . . . . . . 6505 1 655 . 1 1 54 54 VAL HA H 1 3.822 0.02 . 1 . . . . . . . . 6505 1 656 . 1 1 54 54 VAL HB H 1 2.525 0.02 . 1 . . . . . . . . 6505 1 657 . 1 1 54 54 VAL HG21 H 1 1.025 0.02 . 1 . . . . . . . . 6505 1 658 . 1 1 54 54 VAL HG22 H 1 1.025 0.02 . 1 . . . . . . . . 6505 1 659 . 1 1 54 54 VAL HG23 H 1 1.025 0.02 . 1 . . . . . . . . 6505 1 660 . 1 1 54 54 VAL HG11 H 1 0.794 0.02 . 1 . . . . . . . . 6505 1 661 . 1 1 54 54 VAL HG12 H 1 0.794 0.02 . 1 . . . . . . . . 6505 1 662 . 1 1 54 54 VAL HG13 H 1 0.794 0.02 . 1 . . . . . . . . 6505 1 663 . 1 1 54 54 VAL C C 13 176.022 0.1 . 1 . . . . . . . . 6505 1 664 . 1 1 54 54 VAL CA C 13 65.320 0.1 . 1 . . . . . . . . 6505 1 665 . 1 1 54 54 VAL CB C 13 31.153 0.1 . 1 . . . . . . . . 6505 1 666 . 1 1 54 54 VAL CG2 C 13 23.057 0.1 . 1 . . . . . . . . 6505 1 667 . 1 1 54 54 VAL CG1 C 13 23.167 0.1 . 1 . . . . . . . . 6505 1 668 . 1 1 54 54 VAL N N 15 127.121 0.1 . 1 . . . . . . . . 6505 1 669 . 1 1 55 55 GLU H H 1 9.492 0.02 . 1 . . . . . . . . 6505 1 670 . 1 1 55 55 GLU HA H 1 4.685 0.02 . 1 . . . . . . . . 6505 1 671 . 1 1 55 55 GLU HB2 H 1 2.202 0.02 . 2 . . . . . . . . 6505 1 672 . 1 1 55 55 GLU HB3 H 1 1.838 0.02 . 2 . . . . . . . . 6505 1 673 . 1 1 55 55 GLU HG2 H 1 2.456 0.02 . 2 . . . . . . . . 6505 1 674 . 1 1 55 55 GLU HG3 H 1 2.454 0.02 . 2 . . . . . . . . 6505 1 675 . 1 1 55 55 GLU C C 13 176.503 0.1 . 1 . . . . . . . . 6505 1 676 . 1 1 55 55 GLU CA C 13 57.393 0.1 . 1 . . . . . . . . 6505 1 677 . 1 1 55 55 GLU CB C 13 31.636 0.1 . 1 . . . . . . . . 6505 1 678 . 1 1 55 55 GLU CG C 13 35.370 0.1 . 1 . . . . . . . . 6505 1 679 . 1 1 55 55 GLU N N 15 130.614 0.1 . 1 . . . . . . . . 6505 1 680 . 1 1 56 56 ARG H H 1 7.724 0.02 . 1 . . . . . . . . 6505 1 681 . 1 1 56 56 ARG HA H 1 4.882 0.02 . 1 . . . . . . . . 6505 1 682 . 1 1 56 56 ARG HB2 H 1 1.950 0.02 . 2 . . . . . . . . 6505 1 683 . 1 1 56 56 ARG HB3 H 1 1.959 0.02 . 2 . . . . . . . . 6505 1 684 . 1 1 56 56 ARG HG2 H 1 1.724 0.02 . 2 . . . . . . . . 6505 1 685 . 1 1 56 56 ARG HG3 H 1 1.713 0.02 . 2 . . . . . . . . 6505 1 686 . 1 1 56 56 ARG HD2 H 1 3.258 0.02 . 2 . . . . . . . . 6505 1 687 . 1 1 56 56 ARG HD3 H 1 3.245 0.02 . 2 . . . . . . . . 6505 1 688 . 1 1 56 56 ARG C C 13 174.518 0.1 . 1 . . . . . . . . 6505 1 689 . 1 1 56 56 ARG CA C 13 55.696 0.1 . 1 . . . . . . . . 6505 1 690 . 1 1 56 56 ARG CB C 13 34.428 0.1 . 1 . . . . . . . . 6505 1 691 . 1 1 56 56 ARG CG C 13 27.607 0.1 . 1 . . . . . . . . 6505 1 692 . 1 1 56 56 ARG CD C 13 43.769 0.1 . 1 . . . . . . . . 6505 1 693 . 1 1 56 56 ARG N N 15 116.992 0.1 . 1 . . . . . . . . 6505 1 694 . 1 1 57 57 VAL H H 1 9.612 0.02 . 1 . . . . . . . . 6505 1 695 . 1 1 57 57 VAL HA H 1 4.303 0.02 . 1 . . . . . . . . 6505 1 696 . 1 1 57 57 VAL HB H 1 2.095 0.02 . 1 . . . . . . . . 6505 1 697 . 1 1 57 57 VAL HG11 H 1 0.979 0.02 . 1 . . . . . . . . 6505 1 698 . 1 1 57 57 VAL HG12 H 1 0.979 0.02 . 1 . . . . . . . . 6505 1 699 . 1 1 57 57 VAL HG13 H 1 0.979 0.02 . 1 . . . . . . . . 6505 1 700 . 1 1 57 57 VAL HG21 H 1 0.811 0.02 . 1 . . . . . . . . 6505 1 701 . 1 1 57 57 VAL HG22 H 1 0.811 0.02 . 1 . . . . . . . . 6505 1 702 . 1 1 57 57 VAL HG23 H 1 0.811 0.02 . 1 . . . . . . . . 6505 1 703 . 1 1 57 57 VAL C C 13 173.887 0.1 . 1 . . . . . . . . 6505 1 704 . 1 1 57 57 VAL CA C 13 63.728 0.1 . 1 . . . . . . . . 6505 1 705 . 1 1 57 57 VAL CB C 13 33.325 0.1 . 1 . . . . . . . . 6505 1 706 . 1 1 57 57 VAL CG1 C 13 22.822 0.1 . 1 . . . . . . . . 6505 1 707 . 1 1 57 57 VAL CG2 C 13 23.271 0.1 . 1 . . . . . . . . 6505 1 708 . 1 1 57 57 VAL N N 15 126.603 0.1 . 1 . . . . . . . . 6505 1 709 . 1 1 58 58 LEU H H 1 8.831 0.02 . 1 . . . . . . . . 6505 1 710 . 1 1 58 58 LEU HA H 1 4.887 0.02 . 1 . . . . . . . . 6505 1 711 . 1 1 58 58 LEU HB2 H 1 1.750 0.02 . 2 . . . . . . . . 6505 1 712 . 1 1 58 58 LEU HB3 H 1 1.364 0.02 . 2 . . . . . . . . 6505 1 713 . 1 1 58 58 LEU HG H 1 1.81 0.02 . 1 . . . . . . . . 6505 1 714 . 1 1 58 58 LEU HD11 H 1 1.087 0.02 . 1 . . . . . . . . 6505 1 715 . 1 1 58 58 LEU HD12 H 1 1.087 0.02 . 1 . . . . . . . . 6505 1 716 . 1 1 58 58 LEU HD13 H 1 1.087 0.02 . 1 . . . . . . . . 6505 1 717 . 1 1 58 58 LEU HD21 H 1 1.050 0.02 . 1 . . . . . . . . 6505 1 718 . 1 1 58 58 LEU HD22 H 1 1.050 0.02 . 1 . . . . . . . . 6505 1 719 . 1 1 58 58 LEU HD23 H 1 1.050 0.02 . 1 . . . . . . . . 6505 1 720 . 1 1 58 58 LEU C C 13 174.925 0.1 . 1 . . . . . . . . 6505 1 721 . 1 1 58 58 LEU CA C 13 53.723 0.1 . 1 . . . . . . . . 6505 1 722 . 1 1 58 58 LEU CB C 13 39.878 0.1 . 1 . . . . . . . . 6505 1 723 . 1 1 58 58 LEU CG C 13 29.60 0.1 . 1 . . . . . . . . 6505 1 724 . 1 1 58 58 LEU CD1 C 13 24.95 0.1 . 1 . . . . . . . . 6505 1 725 . 1 1 58 58 LEU CD2 C 13 24.90 0.1 . 1 . . . . . . . . 6505 1 726 . 1 1 58 58 LEU N N 15 134.105 0.1 . 1 . . . . . . . . 6505 1 727 . 1 1 59 59 PRO HA H 1 4.245 0.02 . 1 . . . . . . . . 6505 1 728 . 1 1 59 59 PRO HB2 H 1 2.417 0.02 . 2 . . . . . . . . 6505 1 729 . 1 1 59 59 PRO HB3 H 1 1.814 0.02 . 2 . . . . . . . . 6505 1 730 . 1 1 59 59 PRO HG2 H 1 2.157 0.02 . 2 . . . . . . . . 6505 1 731 . 1 1 59 59 PRO HG3 H 1 1.985 0.02 . 2 . . . . . . . . 6505 1 732 . 1 1 59 59 PRO HD2 H 1 3.738 0.02 . 2 . . . . . . . . 6505 1 733 . 1 1 59 59 PRO HD3 H 1 3.667 0.02 . 2 . . . . . . . . 6505 1 734 . 1 1 59 59 PRO C C 13 178.195 0.1 . 1 . . . . . . . . 6505 1 735 . 1 1 59 59 PRO CA C 13 66.650 0.1 . 1 . . . . . . . . 6505 1 736 . 1 1 59 59 PRO CB C 13 32.354 0.1 . 1 . . . . . . . . 6505 1 737 . 1 1 59 59 PRO CG C 13 28.481 0.1 . 1 . . . . . . . . 6505 1 738 . 1 1 59 59 PRO CD C 13 50.526 0.1 . 1 . . . . . . . . 6505 1 739 . 1 1 60 60 LYS H H 1 7.737 0.02 . 1 . . . . . . . . 6505 1 740 . 1 1 60 60 LYS HA H 1 4.525 0.02 . 1 . . . . . . . . 6505 1 741 . 1 1 60 60 LYS HB2 H 1 2.023 0.02 . 2 . . . . . . . . 6505 1 742 . 1 1 60 60 LYS HB3 H 1 1.537 0.02 . 2 . . . . . . . . 6505 1 743 . 1 1 60 60 LYS HG2 H 1 1.422 0.02 . 2 . . . . . . . . 6505 1 744 . 1 1 60 60 LYS HG3 H 1 1.343 0.02 . 2 . . . . . . . . 6505 1 745 . 1 1 60 60 LYS HD2 H 1 1.756 0.02 . 2 . . . . . . . . 6505 1 746 . 1 1 60 60 LYS HD3 H 1 1.696 0.02 . 2 . . . . . . . . 6505 1 747 . 1 1 60 60 LYS HE2 H 1 3.038 0.02 . 2 . . . . . . . . 6505 1 748 . 1 1 60 60 LYS HE3 H 1 3.047 0.02 . 2 . . . . . . . . 6505 1 749 . 1 1 60 60 LYS CA C 13 55.197 0.1 . 1 . . . . . . . . 6505 1 750 . 1 1 60 60 LYS CB C 13 33.991 0.1 . 1 . . . . . . . . 6505 1 751 . 1 1 60 60 LYS CG C 13 25.426 0.1 . 1 . . . . . . . . 6505 1 752 . 1 1 60 60 LYS CD C 13 28.734 0.1 . 1 . . . . . . . . 6505 1 753 . 1 1 60 60 LYS CE C 13 42.315 0.1 . 1 . . . . . . . . 6505 1 754 . 1 1 60 60 LYS N N 15 108.727 0.1 . 1 . . . . . . . . 6505 1 755 . 1 1 61 61 PHE H H 1 7.033 0.02 . 1 . . . . . . . . 6505 1 756 . 1 1 61 61 PHE HA H 1 4.182 0.02 . 1 . . . . . . . . 6505 1 757 . 1 1 61 61 PHE HB2 H 1 3.041 0.02 . 2 . . . . . . . . 6505 1 758 . 1 1 61 61 PHE HB3 H 1 2.475 0.02 . 2 . . . . . . . . 6505 1 759 . 1 1 61 61 PHE C C 13 172.709 0.1 . 1 . . . . . . . . 6505 1 760 . 1 1 61 61 PHE CA C 13 56.161 0.1 . 1 . . . . . . . . 6505 1 761 . 1 1 61 61 PHE CB C 13 39.810 0.1 . 1 . . . . . . . . 6505 1 762 . 1 1 61 61 PHE N N 15 116.106 0.1 . 1 . . . . . . . . 6505 1 763 . 1 1 61 61 PHE CD1 C 13 132.52 0.1 . 1 . . . . . . . . 6505 1 764 . 1 1 61 61 PHE CD2 C 13 132.52 0.1 . 1 . . . . . . . . 6505 1 765 . 1 1 61 61 PHE CE1 C 13 131.42 0.1 . 1 . . . . . . . . 6505 1 766 . 1 1 61 61 PHE CE2 C 13 131.42 0.1 . 1 . . . . . . . . 6505 1 767 . 1 1 61 61 PHE HD1 H 1 6.798 0.02 . 1 . . . . . . . . 6505 1 768 . 1 1 61 61 PHE HD2 H 1 6.798 0.02 . 1 . . . . . . . . 6505 1 769 . 1 1 61 61 PHE HE1 H 1 7.417 0.02 . 1 . . . . . . . . 6505 1 770 . 1 1 61 61 PHE HE2 H 1 7.417 0.02 . 1 . . . . . . . . 6505 1 771 . 1 1 61 61 PHE CZ C 13 129.45 0.1 . 1 . . . . . . . . 6505 1 772 . 1 1 61 61 PHE HZ H 1 7.443 0.02 . 1 . . . . . . . . 6505 1 773 . 1 1 62 62 ALA H H 1 8.617 0.02 . 1 . . . . . . . . 6505 1 774 . 1 1 62 62 ALA HA H 1 5.497 0.02 . 1 . . . . . . . . 6505 1 775 . 1 1 62 62 ALA HB1 H 1 1.673 0.02 . 1 . . . . . . . . 6505 1 776 . 1 1 62 62 ALA HB2 H 1 1.673 0.02 . 1 . . . . . . . . 6505 1 777 . 1 1 62 62 ALA HB3 H 1 1.673 0.02 . 1 . . . . . . . . 6505 1 778 . 1 1 62 62 ALA C C 13 174.766 0.1 . 1 . . . . . . . . 6505 1 779 . 1 1 62 62 ALA CA C 13 49.715 0.1 . 1 . . . . . . . . 6505 1 780 . 1 1 62 62 ALA CB C 13 24.985 0.1 . 1 . . . . . . . . 6505 1 781 . 1 1 62 62 ALA N N 15 118.022 0.1 . 1 . . . . . . . . 6505 1 782 . 1 1 63 63 PHE H H 1 9.112 0.02 . 1 . . . . . . . . 6505 1 783 . 1 1 63 63 PHE HA H 1 5.502 0.02 . 1 . . . . . . . . 6505 1 784 . 1 1 63 63 PHE HB2 H 1 3.491 0.02 . 2 . . . . . . . . 6505 1 785 . 1 1 63 63 PHE HB3 H 1 2.967 0.02 . 2 . . . . . . . . 6505 1 786 . 1 1 63 63 PHE C C 13 175.712 0.1 . 1 . . . . . . . . 6505 1 787 . 1 1 63 63 PHE CA C 13 57.706 0.1 . 1 . . . . . . . . 6505 1 788 . 1 1 63 63 PHE CB C 13 42.994 0.1 . 1 . . . . . . . . 6505 1 789 . 1 1 63 63 PHE N N 15 116.824 0.1 . 1 . . . . . . . . 6505 1 790 . 1 1 63 63 PHE CD1 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 791 . 1 1 63 63 PHE CD2 C 13 131.75 0.1 . 1 . . . . . . . . 6505 1 792 . 1 1 63 63 PHE HD1 H 1 7.400 0.02 . 1 . . . . . . . . 6505 1 793 . 1 1 63 63 PHE HD2 H 1 7.400 0.02 . 1 . . . . . . . . 6505 1 794 . 1 1 64 64 ALA H H 1 9.151 0.02 . 1 . . . . . . . . 6505 1 795 . 1 1 64 64 ALA HA H 1 5.405 0.02 . 1 . . . . . . . . 6505 1 796 . 1 1 64 64 ALA HB1 H 1 1.381 0.02 . 1 . . . . . . . . 6505 1 797 . 1 1 64 64 ALA HB2 H 1 1.381 0.02 . 1 . . . . . . . . 6505 1 798 . 1 1 64 64 ALA HB3 H 1 1.381 0.02 . 1 . . . . . . . . 6505 1 799 . 1 1 64 64 ALA C C 13 174.741 0.1 . 1 . . . . . . . . 6505 1 800 . 1 1 64 64 ALA CA C 13 50.918 0.1 . 1 . . . . . . . . 6505 1 801 . 1 1 64 64 ALA CB C 13 27.146 0.1 . 1 . . . . . . . . 6505 1 802 . 1 1 64 64 ALA N N 15 125.128 0.1 . 1 . . . . . . . . 6505 1 803 . 1 1 65 65 SER H H 1 8.783 0.02 . 1 . . . . . . . . 6505 1 804 . 1 1 65 65 SER HA H 1 5.100 0.02 . 1 . . . . . . . . 6505 1 805 . 1 1 65 65 SER HB2 H 1 3.918 0.02 . 2 . . . . . . . . 6505 1 806 . 1 1 65 65 SER HB3 H 1 3.880 0.02 . 2 . . . . . . . . 6505 1 807 . 1 1 65 65 SER C C 13 174.042 0.1 . 1 . . . . . . . . 6505 1 808 . 1 1 65 65 SER CA C 13 56.120 0.1 . 1 . . . . . . . . 6505 1 809 . 1 1 65 65 SER CB C 13 66.256 0.1 . 1 . . . . . . . . 6505 1 810 . 1 1 65 65 SER N N 15 112.640 0.1 . 1 . . . . . . . . 6505 1 811 . 1 1 66 66 VAL H H 1 8.722 0.02 . 1 . . . . . . . . 6505 1 812 . 1 1 66 66 VAL HA H 1 4.160 0.02 . 1 . . . . . . . . 6505 1 813 . 1 1 66 66 VAL HB H 1 2.009 0.02 . 1 . . . . . . . . 6505 1 814 . 1 1 66 66 VAL HG21 H 1 0.917 0.02 . 1 . . . . . . . . 6505 1 815 . 1 1 66 66 VAL HG22 H 1 0.917 0.02 . 1 . . . . . . . . 6505 1 816 . 1 1 66 66 VAL HG23 H 1 0.917 0.02 . 1 . . . . . . . . 6505 1 817 . 1 1 66 66 VAL HG11 H 1 0.943 0.02 . 1 . . . . . . . . 6505 1 818 . 1 1 66 66 VAL HG12 H 1 0.943 0.02 . 1 . . . . . . . . 6505 1 819 . 1 1 66 66 VAL HG13 H 1 0.943 0.02 . 1 . . . . . . . . 6505 1 820 . 1 1 66 66 VAL C C 13 176.993 0.1 . 1 . . . . . . . . 6505 1 821 . 1 1 66 66 VAL CA C 13 64.222 0.1 . 1 . . . . . . . . 6505 1 822 . 1 1 66 66 VAL CB C 13 32.773 0.1 . 1 . . . . . . . . 6505 1 823 . 1 1 66 66 VAL CG2 C 13 23.179 0.1 . 1 . . . . . . . . 6505 1 824 . 1 1 66 66 VAL CG1 C 13 21.621 0.1 . 1 . . . . . . . . 6505 1 825 . 1 1 66 66 VAL N N 15 121.818 0.1 . 1 . . . . . . . . 6505 1 826 . 1 1 67 67 VAL H H 1 9.143 0.02 . 1 . . . . . . . . 6505 1 827 . 1 1 67 67 VAL HA H 1 4.131 0.02 . 1 . . . . . . . . 6505 1 828 . 1 1 67 67 VAL HB H 1 1.847 0.02 . 1 . . . . . . . . 6505 1 829 . 1 1 67 67 VAL HG11 H 1 0.894 0.02 . 2 . . . . . . . . 6505 1 830 . 1 1 67 67 VAL HG12 H 1 0.894 0.02 . 2 . . . . . . . . 6505 1 831 . 1 1 67 67 VAL HG13 H 1 0.894 0.02 . 2 . . . . . . . . 6505 1 832 . 1 1 67 67 VAL HG21 H 1 0.852 0.02 . 2 . . . . . . . . 6505 1 833 . 1 1 67 67 VAL HG22 H 1 0.852 0.02 . 2 . . . . . . . . 6505 1 834 . 1 1 67 67 VAL HG23 H 1 0.852 0.02 . 2 . . . . . . . . 6505 1 835 . 1 1 67 67 VAL C C 13 175.425 0.1 . 1 . . . . . . . . 6505 1 836 . 1 1 67 67 VAL CA C 13 62.579 0.1 . 1 . . . . . . . . 6505 1 837 . 1 1 67 67 VAL CB C 13 33.054 0.1 . 1 . . . . . . . . 6505 1 838 . 1 1 67 67 VAL CG1 C 13 21.626 0.1 . 1 . . . . . . . . 6505 1 839 . 1 1 67 67 VAL CG2 C 13 21.626 0.1 . 1 . . . . . . . . 6505 1 840 . 1 1 67 67 VAL N N 15 129.216 0.1 . 1 . . . . . . . . 6505 1 841 . 1 1 68 68 GLU H H 1 8.358 0.02 . 1 . . . . . . . . 6505 1 842 . 1 1 68 68 GLU HA H 1 4.404 0.02 . 1 . . . . . . . . 6505 1 843 . 1 1 68 68 GLU HB2 H 1 2.063 0.02 . 2 . . . . . . . . 6505 1 844 . 1 1 68 68 GLU HB3 H 1 1.956 0.02 . 2 . . . . . . . . 6505 1 845 . 1 1 68 68 GLU HG2 H 1 2.272 0.02 . 1 . . . . . . . . 6505 1 846 . 1 1 68 68 GLU HG3 H 1 2.272 0.02 . 1 . . . . . . . . 6505 1 847 . 1 1 68 68 GLU C C 13 175.731 0.1 . 1 . . . . . . . . 6505 1 848 . 1 1 68 68 GLU CA C 13 56.330 0.1 . 1 . . . . . . . . 6505 1 849 . 1 1 68 68 GLU CB C 13 31.400 0.1 . 1 . . . . . . . . 6505 1 850 . 1 1 68 68 GLU N N 15 123.710 0.1 . 1 . . . . . . . . 6505 1 stop_ save_