data_16154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16154 _Entry.Title ; Solution NMR structure of the OB domain (residues 67-166) of MM0293 from Methanosarcina mazei. Northeast Structural Genomics Consortium target MaR214a. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-30 _Entry.Accession_date 2009-01-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Theresa Ramelot . A. . 16154 2 Keyang Ding . . . 16154 3 Melissa Magliqui . . . 16154 4 Mei Jiang . . . 16154 5 Colleen Ciccosanti . . . 16154 6 Rong Xiao . . . 16154 7 Jinfeng Lui . . . 16154 8 John Everett . K. . 16154 9 G.V.T. Swapna . . . 16154 10 Thomas Acton . B. . 16154 11 Burkhardt Rost . . . 16154 12 Gaetano Montelione . T. . 16154 13 Michael Kennedy . A. . 16154 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16154 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 16154 'nucleic acid binding protein' . 16154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16154 spectral_peak_list 3 16154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 16154 '15N chemical shifts' 119 16154 '1H chemical shifts' 769 16154 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-03-05 2009-01-30 update BMRB 'edit entity/assembly name' 16154 1 . . 2009-03-05 2009-01-30 original author 'original release' 16154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2kbn 'NMR structure refined without RDC constraints' 16154 PDB 2KEN 'BMRB Entry Tracking System' 16154 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16154 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the OB domain of MM0293 from the archea Methanosarcina mazei' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Michael Kennedy . A. . 16154 1 2 Theresa Ramelot . A. . 16154 1 3 Keyang Ding . . . 16154 1 4 Melissa Magliqui . . . 16154 1 5 Mei Jiang . . . 16154 1 6 Colleen Ciccosanti . . . 16154 1 7 Rong Xiao . . . 16154 1 8 Jinfeng Lui . . . 16154 1 9 John Everett . K. . 16154 1 10 G.V.T. Swapna . . . 16154 1 11 Thomas Acton . B. . 16154 1 12 Burkhardt Rost . . . 16154 1 13 Gaetano Montelione . T. . 16154 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 16154 1 'OB domain' 16154 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16154 _Assembly.ID 1 _Assembly.Name MM0293 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OB-domain 1 $entity A . yes native no no . . . 16154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OB-domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEPQLTKIVDIVENGQWANL KAKVIQLWENTHESISQVGL LGDETGIIKFTIWKNAELPL LEQGESYLLRSVVVGEYNDR FQVQVNKNSSIEKLSEPIEV GLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 2-100 correspond to residues 67-166 in the full-length protein. Residues 101-109 correspond to residues associated with the C-terminal His tag.' _Entity.Polymer_author_seq_details 'Residues 2-100 correspond to residues 67-166 in the full-length protein. Residues 101-109 correspond to residues associated with the C-terminal His tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12519.227 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'aggregation screen by gel filtration light scattering is 89.8% monomer using Shodex KW-803 column' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 16051 . MM0293 . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16154 1 2 no PDB 2KBN . "Solution Nmr Structure Of The Ob Domain (Residues 67-166) Of Mm0293 From Methanosarcina Mazei. Northeast Structural Genomics Co" . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16154 1 3 no PDB 2KEN . "Solution Nmr Structure Of The Ob Domain (Residues 67-166) Of Mm0293 From Methanosarcina Mazei. Northeast Structural Genomics Co" . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16154 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nucleic acid binding protein' 16154 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 . 16154 1 2 . GLU . 16154 1 3 . PRO . 16154 1 4 . GLN . 16154 1 5 . LEU . 16154 1 6 . THR . 16154 1 7 . LYS . 16154 1 8 . ILE . 16154 1 9 . VAL . 16154 1 10 . ASP . 16154 1 11 . ILE . 16154 1 12 . VAL . 16154 1 13 . GLU . 16154 1 14 . ASN . 16154 1 15 . GLY . 16154 1 16 . GLN . 16154 1 17 . TRP . 16154 1 18 . ALA . 16154 1 19 . ASN . 16154 1 20 . LEU . 16154 1 21 . LYS . 16154 1 22 . ALA . 16154 1 23 . LYS . 16154 1 24 . VAL . 16154 1 25 . ILE . 16154 1 26 . GLN . 16154 1 27 . LEU . 16154 1 28 . TRP . 16154 1 29 . GLU . 16154 1 30 . ASN . 16154 1 31 . THR . 16154 1 32 . HIS . 16154 1 33 . GLU . 16154 1 34 . SER . 16154 1 35 . ILE . 16154 1 36 . SER . 16154 1 37 . GLN . 16154 1 38 . VAL . 16154 1 39 . GLY . 16154 1 40 . LEU . 16154 1 41 . LEU . 16154 1 42 . GLY . 16154 1 43 . ASP . 16154 1 44 . GLU . 16154 1 45 . THR . 16154 1 46 . GLY . 16154 1 47 . ILE . 16154 1 48 . ILE . 16154 1 49 . LYS . 16154 1 50 . PHE . 16154 1 51 . THR . 16154 1 52 . ILE . 16154 1 53 . TRP . 16154 1 54 . LYS . 16154 1 55 . ASN . 16154 1 56 . ALA . 16154 1 57 . GLU . 16154 1 58 . LEU . 16154 1 59 . PRO . 16154 1 60 . LEU . 16154 1 61 . LEU . 16154 1 62 . GLU . 16154 1 63 . GLN . 16154 1 64 . GLY . 16154 1 65 . GLU . 16154 1 66 . SER . 16154 1 67 . TYR . 16154 1 68 . LEU . 16154 1 69 . LEU . 16154 1 70 . ARG . 16154 1 71 . SER . 16154 1 72 . VAL . 16154 1 73 . VAL . 16154 1 74 . VAL . 16154 1 75 . GLY . 16154 1 76 . GLU . 16154 1 77 . TYR . 16154 1 78 . ASN . 16154 1 79 . ASP . 16154 1 80 . ARG . 16154 1 81 . PHE . 16154 1 82 . GLN . 16154 1 83 . VAL . 16154 1 84 . GLN . 16154 1 85 . VAL . 16154 1 86 . ASN . 16154 1 87 . LYS . 16154 1 88 . ASN . 16154 1 89 . SER . 16154 1 90 . SER . 16154 1 91 . ILE . 16154 1 92 . GLU . 16154 1 93 . LYS . 16154 1 94 . LEU . 16154 1 95 . SER . 16154 1 96 . GLU . 16154 1 97 . PRO . 16154 1 98 . ILE . 16154 1 99 . GLU . 16154 1 100 . VAL . 16154 1 101 . GLY . 16154 1 102 . LEU . 16154 1 103 . GLU . 16154 1 104 . HIS . 16154 1 105 . HIS . 16154 1 106 . HIS . 16154 1 107 . HIS . 16154 1 108 . HIS . 16154 1 109 . HIS . 16154 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 16154 1 . GLU 2 2 16154 1 . PRO 3 3 16154 1 . GLN 4 4 16154 1 . LEU 5 5 16154 1 . THR 6 6 16154 1 . LYS 7 7 16154 1 . ILE 8 8 16154 1 . VAL 9 9 16154 1 . ASP 10 10 16154 1 . ILE 11 11 16154 1 . VAL 12 12 16154 1 . GLU 13 13 16154 1 . ASN 14 14 16154 1 . GLY 15 15 16154 1 . GLN 16 16 16154 1 . TRP 17 17 16154 1 . ALA 18 18 16154 1 . ASN 19 19 16154 1 . LEU 20 20 16154 1 . LYS 21 21 16154 1 . ALA 22 22 16154 1 . LYS 23 23 16154 1 . VAL 24 24 16154 1 . ILE 25 25 16154 1 . GLN 26 26 16154 1 . LEU 27 27 16154 1 . TRP 28 28 16154 1 . GLU 29 29 16154 1 . ASN 30 30 16154 1 . THR 31 31 16154 1 . HIS 32 32 16154 1 . GLU 33 33 16154 1 . SER 34 34 16154 1 . ILE 35 35 16154 1 . SER 36 36 16154 1 . GLN 37 37 16154 1 . VAL 38 38 16154 1 . GLY 39 39 16154 1 . LEU 40 40 16154 1 . LEU 41 41 16154 1 . GLY 42 42 16154 1 . ASP 43 43 16154 1 . GLU 44 44 16154 1 . THR 45 45 16154 1 . GLY 46 46 16154 1 . ILE 47 47 16154 1 . ILE 48 48 16154 1 . LYS 49 49 16154 1 . PHE 50 50 16154 1 . THR 51 51 16154 1 . ILE 52 52 16154 1 . TRP 53 53 16154 1 . LYS 54 54 16154 1 . ASN 55 55 16154 1 . ALA 56 56 16154 1 . GLU 57 57 16154 1 . LEU 58 58 16154 1 . PRO 59 59 16154 1 . LEU 60 60 16154 1 . LEU 61 61 16154 1 . GLU 62 62 16154 1 . GLN 63 63 16154 1 . GLY 64 64 16154 1 . GLU 65 65 16154 1 . SER 66 66 16154 1 . TYR 67 67 16154 1 . LEU 68 68 16154 1 . LEU 69 69 16154 1 . ARG 70 70 16154 1 . SER 71 71 16154 1 . VAL 72 72 16154 1 . VAL 73 73 16154 1 . VAL 74 74 16154 1 . GLY 75 75 16154 1 . GLU 76 76 16154 1 . TYR 77 77 16154 1 . ASN 78 78 16154 1 . ASP 79 79 16154 1 . ARG 80 80 16154 1 . PHE 81 81 16154 1 . GLN 82 82 16154 1 . VAL 83 83 16154 1 . GLN 84 84 16154 1 . VAL 85 85 16154 1 . ASN 86 86 16154 1 . LYS 87 87 16154 1 . ASN 88 88 16154 1 . SER 89 89 16154 1 . SER 90 90 16154 1 . ILE 91 91 16154 1 . GLU 92 92 16154 1 . LYS 93 93 16154 1 . LEU 94 94 16154 1 . SER 95 95 16154 1 . GLU 96 96 16154 1 . PRO 97 97 16154 1 . ILE 98 98 16154 1 . GLU 99 99 16154 1 . VAL 100 100 16154 1 . GLY 101 101 16154 1 . LEU 102 102 16154 1 . GLU 103 103 16154 1 . HIS 104 104 16154 1 . HIS 105 105 16154 1 . HIS 106 106 16154 1 . HIS 107 107 16154 1 . HIS 108 108 16154 1 . HIS 109 109 16154 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 16154 _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 $entity . 2209 archeon . 'Methanosarcina mazei' 'Methanosarcina mazei' . . Archaea . Methanosarcina mazei Goe1 . . . . . . . . . . . . . . . MM0293 . . . . 16154 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 16154 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-23C . . . . . . 16154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16154 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N-labeled; uniformly-13C-labeleld' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'OB domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16154 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16154 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16154 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16154 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16154 1 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16154 1 stop_ save_ save_sample_2_PEG _Sample.Sf_category sample _Sample.Sf_framecode sample_2_PEG _Sample.Entry_ID 16154 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N-labeled; 5%-13C-labeleld, aligned in Peg/hexanol' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'OB domain' '[U-5% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16154 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16154 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16154 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16154 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16154 2 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16154 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16154 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N-labeled; 5%-13C-labeleld' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'OB domain' '[U-5% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16154 3 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16154 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16154 3 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16154 3 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16154 3 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16154 3 stop_ save_ save_sample_2_phage _Sample.Sf_category sample _Sample.Sf_framecode sample_2_phage _Sample.Entry_ID 16154 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 15N-labeled; 5%-13C-labeleld, alighed in phage' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'OB domain' '[U-5% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16154 4 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16154 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16154 4 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16154 4 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16154 4 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16154 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16154 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16154 1 pH 6.5 . pH 16154 1 pressure 1.0 . atm 16154 1 temperature 293 . K 16154 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16154 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16154 2 pH 6.5 . pH 16154 2 pressure 1.0 . atm 16154 2 temperature 298 . K 16154 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16154 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details 'NMR data collection' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16154 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16154 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.113 _Software.Details 'nmr data analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16154 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16154 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16154 _Software.ID 3 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details 'automated assignment of backbone from NMR data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16154 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16154 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16154 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details 'structure calculations' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16154 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16154 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16154 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'noe assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16154 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16154 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16154 _Software.ID 6 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'structure/data quality analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16154 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16154 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16154 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details 'structure refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16154 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16154 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16154 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16154 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 16154 1 2 spectrometer_2 Varian INOVA . 600 . . . 16154 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 16154 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16154 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16154 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16154 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16154 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 13 '4D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 14 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 4 $sample_2_phage anisotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 15 '2D 1H-15N HSQC-TROSY' no . . . . . . . . . . 2 $sample_2_PEG anisotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16154 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16154 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16154 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16154 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16154 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16154 1 2 '3D HNCA' . . . 16154 1 3 '3D HNCACB' . . . 16154 1 4 '3D CBCA(CO)NH' . . . 16154 1 5 '3D HCCH-TOCSY' . . . 16154 1 6 '3D H(CCO)NH' . . . 16154 1 7 '3D C(CO)NH' . . . 16154 1 8 '3D 1H-15N NOESY' . . . 16154 1 9 '3D 1H-13C NOESY' . . . 16154 1 13 '4D 1H-13C NOESY' . . . 16154 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 16154 1 2 $SPARKY . . 16154 1 3 $AutoAssign . . 16154 1 4 $AutoStructure . . 16154 1 5 $CYANA . . 16154 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 3 3 PRO HA H 1 4.43 0.02 . 1 . . . . 3 PRO HA . 16154 1 2 . 1 1 3 3 PRO HB2 H 1 1.78 0.02 . 2 . . . . 3 PRO HB2 . 16154 1 3 . 1 1 3 3 PRO HB3 H 1 2.09 0.02 . 2 . . . . 3 PRO HB3 . 16154 1 4 . 1 1 3 3 PRO HD2 H 1 3.63 0.02 . 2 . . . . 3 PRO HD2 . 16154 1 5 . 1 1 3 3 PRO HD3 H 1 3.71 0.02 . 2 . . . . 3 PRO HD3 . 16154 1 6 . 1 1 3 3 PRO HG2 H 1 1.97 0.02 . 2 . . . . 3 PRO HG2 . 16154 1 7 . 1 1 3 3 PRO HG3 H 1 1.87 0.02 . 2 . . . . 3 PRO HG3 . 16154 1 8 . 1 1 3 3 PRO C C 13 175.6 0.2 . 1 . . . . 3 PRO C . 16154 1 9 . 1 1 3 3 PRO CA C 13 62.51 0.2 . 1 . . . . 3 PRO CA . 16154 1 10 . 1 1 3 3 PRO CB C 13 32 0.2 . 1 . . . . 3 PRO CB . 16154 1 11 . 1 1 3 3 PRO CD C 13 50.2 0.2 . 1 . . . . 3 PRO CD . 16154 1 12 . 1 1 3 3 PRO CG C 13 27.2 0.2 . 1 . . . . 3 PRO CG . 16154 1 13 . 1 1 4 4 GLN H H 1 8.58 0.02 . 1 . . . . 4 GLN H . 16154 1 14 . 1 1 4 4 GLN HA H 1 4.26 0.02 . 1 . . . . 4 GLN HA . 16154 1 15 . 1 1 4 4 GLN HB2 H 1 2.03 0.02 . 2 . . . . 4 GLN HB2 . 16154 1 16 . 1 1 4 4 GLN HB3 H 1 2.03 0.02 . 2 . . . . 4 GLN HB3 . 16154 1 17 . 1 1 4 4 GLN HE21 H 1 7.59 0.02 . 2 . . . . 4 GLN HE21 . 16154 1 18 . 1 1 4 4 GLN HE22 H 1 6.92 0.02 . 2 . . . . 4 GLN HE22 . 16154 1 19 . 1 1 4 4 GLN HG2 H 1 2.35 0.02 . 2 . . . . 4 GLN HG2 . 16154 1 20 . 1 1 4 4 GLN HG3 H 1 2.35 0.02 . 2 . . . . 4 GLN HG3 . 16154 1 21 . 1 1 4 4 GLN C C 13 176.9 0.2 . 1 . . . . 4 GLN C . 16154 1 22 . 1 1 4 4 GLN CA C 13 55.7 0.2 . 1 . . . . 4 GLN CA . 16154 1 23 . 1 1 4 4 GLN CB C 13 29.2 0.2 . 1 . . . . 4 GLN CB . 16154 1 24 . 1 1 4 4 GLN CG C 13 33.6 0.2 . 1 . . . . 4 GLN CG . 16154 1 25 . 1 1 4 4 GLN N N 15 120 0.2 . 1 . . . . 4 GLN N . 16154 1 26 . 1 1 4 4 GLN NE2 N 15 113.4 0.2 . 1 . . . . 4 GLN NE2 . 16154 1 27 . 1 1 5 5 LEU H H 1 8.92 0.02 . 1 . . . . 5 LEU H . 16154 1 28 . 1 1 5 5 LEU HA H 1 4.66 0.02 . 1 . . . . 5 LEU HA . 16154 1 29 . 1 1 5 5 LEU HB2 H 1 1.48 0.02 . 2 . . . . 5 LEU HB2 . 16154 1 30 . 1 1 5 5 LEU HB3 H 1 1.73 0.02 . 2 . . . . 5 LEU HB3 . 16154 1 31 . 1 1 5 5 LEU HD11 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16154 1 32 . 1 1 5 5 LEU HD12 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16154 1 33 . 1 1 5 5 LEU HD13 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16154 1 34 . 1 1 5 5 LEU HD21 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16154 1 35 . 1 1 5 5 LEU HD22 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16154 1 36 . 1 1 5 5 LEU HD23 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16154 1 37 . 1 1 5 5 LEU HG H 1 1.68 0.02 . 1 . . . . 5 LEU HG . 16154 1 38 . 1 1 5 5 LEU C C 13 176.9 0.2 . 1 . . . . 5 LEU C . 16154 1 39 . 1 1 5 5 LEU CA C 13 54.7 0.2 . 1 . . . . 5 LEU CA . 16154 1 40 . 1 1 5 5 LEU CB C 13 43 0.2 . 1 . . . . 5 LEU CB . 16154 1 41 . 1 1 5 5 LEU CD1 C 13 25.6 0.02 . 2 . . . . 5 LEU CD1 . 16154 1 42 . 1 1 5 5 LEU CD2 C 13 23.8 0.02 . 2 . . . . 5 LEU CD2 . 16154 1 43 . 1 1 5 5 LEU CG C 13 26.5 0.2 . 1 . . . . 5 LEU CG . 16154 1 44 . 1 1 5 5 LEU N N 15 128.5 0.2 . 1 . . . . 5 LEU N . 16154 1 45 . 1 1 6 6 THR H H 1 8.75 0.02 . 1 . . . . 6 THR H . 16154 1 46 . 1 1 6 6 THR HA H 1 4.53 0.02 . 1 . . . . 6 THR HA . 16154 1 47 . 1 1 6 6 THR HB H 1 3.66 0.02 . 1 . . . . 6 THR HB . 16154 1 48 . 1 1 6 6 THR HG21 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16154 1 49 . 1 1 6 6 THR HG22 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16154 1 50 . 1 1 6 6 THR HG23 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16154 1 51 . 1 1 6 6 THR C C 13 173.7 0.2 . 1 . . . . 6 THR C . 16154 1 52 . 1 1 6 6 THR CA C 13 61.6 0.2 . 1 . . . . 6 THR CA . 16154 1 53 . 1 1 6 6 THR CB C 13 72 0.2 . 1 . . . . 6 THR CB . 16154 1 54 . 1 1 6 6 THR CG2 C 13 20.7 0.2 . 1 . . . . 6 THR CG2 . 16154 1 55 . 1 1 6 6 THR N N 15 121 0.2 . 1 . . . . 6 THR N . 16154 1 56 . 1 1 7 7 LYS H H 1 9.08 0.02 . 1 . . . . 7 LYS H . 16154 1 57 . 1 1 7 7 LYS HA H 1 4.43 0.02 . 1 . . . . 7 LYS HA . 16154 1 58 . 1 1 7 7 LYS HB2 H 1 0.57 0.02 . 2 . . . . 7 LYS HB2 . 16154 1 59 . 1 1 7 7 LYS HB3 H 1 1.66 0.02 . 2 . . . . 7 LYS HB3 . 16154 1 60 . 1 1 7 7 LYS HD2 H 1 1.53 0.02 . 2 . . . . 7 LYS HD2 . 16154 1 61 . 1 1 7 7 LYS HD3 H 1 1.69 0.02 . 2 . . . . 7 LYS HD3 . 16154 1 62 . 1 1 7 7 LYS HE2 H 1 2.9 0.02 . 2 . . . . 7 LYS HE2 . 16154 1 63 . 1 1 7 7 LYS HE3 H 1 2.95 0.02 . 2 . . . . 7 LYS HE3 . 16154 1 64 . 1 1 7 7 LYS HG2 H 1 1.51 0.02 . 2 . . . . 7 LYS HG2 . 16154 1 65 . 1 1 7 7 LYS HG3 H 1 1.51 0.02 . 2 . . . . 7 LYS HG3 . 16154 1 66 . 1 1 7 7 LYS C C 13 178.6 0.2 . 1 . . . . 7 LYS C . 16154 1 67 . 1 1 7 7 LYS CA C 13 54.3 0.2 . 1 . . . . 7 LYS CA . 16154 1 68 . 1 1 7 7 LYS CB C 13 32.3 0.2 . 1 . . . . 7 LYS CB . 16154 1 69 . 1 1 7 7 LYS CD C 13 28.1 0.2 . 1 . . . . 7 LYS CD . 16154 1 70 . 1 1 7 7 LYS CE C 13 42.4 0.2 . 1 . . . . 7 LYS CE . 16154 1 71 . 1 1 7 7 LYS CG C 13 24.6 0.2 . 1 . . . . 7 LYS CG . 16154 1 72 . 1 1 7 7 LYS N N 15 126.3 0.2 . 1 . . . . 7 LYS N . 16154 1 73 . 1 1 8 8 ILE H H 1 9.87 0.02 . 1 . . . . 8 ILE H . 16154 1 74 . 1 1 8 8 ILE HA H 1 3.24 0.02 . 1 . . . . 8 ILE HA . 16154 1 75 . 1 1 8 8 ILE HB H 1 1.6 0.02 . 1 . . . . 8 ILE HB . 16154 1 76 . 1 1 8 8 ILE HD11 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16154 1 77 . 1 1 8 8 ILE HD12 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16154 1 78 . 1 1 8 8 ILE HD13 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16154 1 79 . 1 1 8 8 ILE HG21 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16154 1 80 . 1 1 8 8 ILE HG22 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16154 1 81 . 1 1 8 8 ILE HG23 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16154 1 82 . 1 1 8 8 ILE C C 13 178.7 0.2 . 1 . . . . 8 ILE C . 16154 1 83 . 1 1 8 8 ILE CA C 13 66.8 0.2 . 1 . . . . 8 ILE CA . 16154 1 84 . 1 1 8 8 ILE CB C 13 36.4 0.2 . 1 . . . . 8 ILE CB . 16154 1 85 . 1 1 8 8 ILE CD1 C 13 13.32 0.2 . 1 . . . . 8 ILE CD1 . 16154 1 86 . 1 1 8 8 ILE CG2 C 13 17.7 0.2 . 1 . . . . 8 ILE CG2 . 16154 1 87 . 1 1 8 8 ILE N N 15 124.7 0.2 . 1 . . . . 8 ILE N . 16154 1 88 . 1 1 9 9 VAL H H 1 8.34 0.02 . 1 . . . . 9 VAL H . 16154 1 89 . 1 1 9 9 VAL HA H 1 3.93 0.02 . 1 . . . . 9 VAL HA . 16154 1 90 . 1 1 9 9 VAL HB H 1 1.98 0.02 . 1 . . . . 9 VAL HB . 16154 1 91 . 1 1 9 9 VAL HG11 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16154 1 92 . 1 1 9 9 VAL HG12 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16154 1 93 . 1 1 9 9 VAL HG13 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16154 1 94 . 1 1 9 9 VAL HG21 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16154 1 95 . 1 1 9 9 VAL HG22 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16154 1 96 . 1 1 9 9 VAL HG23 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16154 1 97 . 1 1 9 9 VAL C C 13 178.7 0.2 . 1 . . . . 9 VAL C . 16154 1 98 . 1 1 9 9 VAL CA C 13 63.3 0.2 . 1 . . . . 9 VAL CA . 16154 1 99 . 1 1 9 9 VAL CB C 13 31.7 0.2 . 1 . . . . 9 VAL CB . 16154 1 100 . 1 1 9 9 VAL CG1 C 13 18.7 0.02 . 2 . . . . 9 VAL CG1 . 16154 1 101 . 1 1 9 9 VAL CG2 C 13 21.7 0.02 . 2 . . . . 9 VAL CG2 . 16154 1 102 . 1 1 9 9 VAL N N 15 119.5 0.2 . 1 . . . . 9 VAL N . 16154 1 103 . 1 1 10 10 ASP H H 1 7.51 0.02 . 1 . . . . 10 ASP H . 16154 1 104 . 1 1 10 10 ASP HA H 1 4.73 0.02 . 1 . . . . 10 ASP HA . 16154 1 105 . 1 1 10 10 ASP HB2 H 1 2.65 0.02 . 2 . . . . 10 ASP HB2 . 16154 1 106 . 1 1 10 10 ASP HB3 H 1 2.91 0.02 . 2 . . . . 10 ASP HB3 . 16154 1 107 . 1 1 10 10 ASP C C 13 174.5 0.2 . 1 . . . . 10 ASP C . 16154 1 108 . 1 1 10 10 ASP CA C 13 54.4 0.2 . 1 . . . . 10 ASP CA . 16154 1 109 . 1 1 10 10 ASP CB C 13 41.1 0.2 . 1 . . . . 10 ASP CB . 16154 1 110 . 1 1 10 10 ASP N N 15 119.1 0.2 . 1 . . . . 10 ASP N . 16154 1 111 . 1 1 11 11 ILE H H 1 7.46 0.02 . 1 . . . . 11 ILE H . 16154 1 112 . 1 1 11 11 ILE HA H 1 3.8 0.02 . 1 . . . . 11 ILE HA . 16154 1 113 . 1 1 11 11 ILE HB H 1 1.99 0.02 . 1 . . . . 11 ILE HB . 16154 1 114 . 1 1 11 11 ILE HD11 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16154 1 115 . 1 1 11 11 ILE HD12 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16154 1 116 . 1 1 11 11 ILE HD13 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16154 1 117 . 1 1 11 11 ILE HG12 H 1 0.73 0.02 . 2 . . . . 11 ILE HG12 . 16154 1 118 . 1 1 11 11 ILE HG13 H 1 1.42 0.02 . 2 . . . . 11 ILE HG13 . 16154 1 119 . 1 1 11 11 ILE HG21 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16154 1 120 . 1 1 11 11 ILE HG22 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16154 1 121 . 1 1 11 11 ILE HG23 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16154 1 122 . 1 1 11 11 ILE C C 13 174.9 0.2 . 1 . . . . 11 ILE C . 16154 1 123 . 1 1 11 11 ILE CA C 13 62.1 0.2 . 1 . . . . 11 ILE CA . 16154 1 124 . 1 1 11 11 ILE CB C 13 35.3 0.2 . 1 . . . . 11 ILE CB . 16154 1 125 . 1 1 11 11 ILE CD1 C 13 12.8 0.2 . 1 . . . . 11 ILE CD1 . 16154 1 126 . 1 1 11 11 ILE CG1 C 13 27.4 0.2 . 1 . . . . 11 ILE CG1 . 16154 1 127 . 1 1 11 11 ILE CG2 C 13 18.5 0.2 . 1 . . . . 11 ILE CG2 . 16154 1 128 . 1 1 11 11 ILE N N 15 124.2 0.2 . 1 . . . . 11 ILE N . 16154 1 129 . 1 1 12 12 VAL H H 1 8.53 0.02 . 1 . . . . 12 VAL H . 16154 1 130 . 1 1 12 12 VAL HA H 1 4.26 0.02 . 1 . . . . 12 VAL HA . 16154 1 131 . 1 1 12 12 VAL HB H 1 2.28 0.02 . 1 . . . . 12 VAL HB . 16154 1 132 . 1 1 12 12 VAL HG11 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16154 1 133 . 1 1 12 12 VAL HG12 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16154 1 134 . 1 1 12 12 VAL HG13 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16154 1 135 . 1 1 12 12 VAL HG21 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16154 1 136 . 1 1 12 12 VAL HG22 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16154 1 137 . 1 1 12 12 VAL HG23 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16154 1 138 . 1 1 12 12 VAL C C 13 174.9 0.2 . 1 . . . . 12 VAL C . 16154 1 139 . 1 1 12 12 VAL CA C 13 60.6 0.2 . 1 . . . . 12 VAL CA . 16154 1 140 . 1 1 12 12 VAL CB C 13 35.4 0.2 . 1 . . . . 12 VAL CB . 16154 1 141 . 1 1 12 12 VAL CG1 C 13 21.2 0.02 . 2 . . . . 12 VAL CG1 . 16154 1 142 . 1 1 12 12 VAL CG2 C 13 17.7 0.02 . 2 . . . . 12 VAL CG2 . 16154 1 143 . 1 1 12 12 VAL N N 15 118.4 0.2 . 1 . . . . 12 VAL N . 16154 1 144 . 1 1 13 13 GLU H H 1 7.43 0.02 . 1 . . . . 13 GLU H . 16154 1 145 . 1 1 13 13 GLU HA H 1 4.59 0.02 . 1 . . . . 13 GLU HA . 16154 1 146 . 1 1 13 13 GLU HB2 H 1 1.77 0.02 . 2 . . . . 13 GLU HB2 . 16154 1 147 . 1 1 13 13 GLU HB3 H 1 1.87 0.02 . 2 . . . . 13 GLU HB3 . 16154 1 148 . 1 1 13 13 GLU HG2 H 1 2.11 0.02 . 2 . . . . 13 GLU HG2 . 16154 1 149 . 1 1 13 13 GLU HG3 H 1 2.21 0.02 . 2 . . . . 13 GLU HG3 . 16154 1 150 . 1 1 13 13 GLU C C 13 173.8 0.2 . 1 . . . . 13 GLU C . 16154 1 151 . 1 1 13 13 GLU CA C 13 54.8 0.2 . 1 . . . . 13 GLU CA . 16154 1 152 . 1 1 13 13 GLU CB C 13 33.16 0.2 . 1 . . . . 13 GLU CB . 16154 1 153 . 1 1 13 13 GLU CG C 13 35.7 0.2 . 1 . . . . 13 GLU CG . 16154 1 154 . 1 1 13 13 GLU N N 15 120.1 0.2 . 1 . . . . 13 GLU N . 16154 1 155 . 1 1 14 14 ASN H H 1 8.8 0.02 . 1 . . . . 14 ASN H . 16154 1 156 . 1 1 14 14 ASN HA H 1 4.11 0.02 . 1 . . . . 14 ASN HA . 16154 1 157 . 1 1 14 14 ASN HB2 H 1 2.79 0.02 . 2 . . . . 14 ASN HB2 . 16154 1 158 . 1 1 14 14 ASN HB3 H 1 2.82 0.02 . 2 . . . . 14 ASN HB3 . 16154 1 159 . 1 1 14 14 ASN HD21 H 1 7.58 0.02 . 2 . . . . 14 ASN HD21 . 16154 1 160 . 1 1 14 14 ASN HD22 H 1 6.89 0.02 . 2 . . . . 14 ASN HD22 . 16154 1 161 . 1 1 14 14 ASN C C 13 176.6 0.2 . 1 . . . . 14 ASN C . 16154 1 162 . 1 1 14 14 ASN CA C 13 54.6 0.2 . 1 . . . . 14 ASN CA . 16154 1 163 . 1 1 14 14 ASN CB C 13 38.9 0.2 . 1 . . . . 14 ASN CB . 16154 1 164 . 1 1 14 14 ASN N N 15 121.5 0.2 . 1 . . . . 14 ASN N . 16154 1 165 . 1 1 14 14 ASN ND2 N 15 111.7 0.2 . 1 . . . . 14 ASN ND2 . 16154 1 166 . 1 1 15 15 GLY H H 1 8.62 0.02 . 1 . . . . 15 GLY H . 16154 1 167 . 1 1 15 15 GLY HA2 H 1 3.46 0.02 . 2 . . . . 15 GLY HA2 . 16154 1 168 . 1 1 15 15 GLY HA3 H 1 4.11 0.02 . 2 . . . . 15 GLY HA3 . 16154 1 169 . 1 1 15 15 GLY C C 13 173.1 0.2 . 1 . . . . 15 GLY C . 16154 1 170 . 1 1 15 15 GLY CA C 13 45.3 0.2 . 1 . . . . 15 GLY CA . 16154 1 171 . 1 1 15 15 GLY N N 15 114.9 0.2 . 1 . . . . 15 GLY N . 16154 1 172 . 1 1 16 16 GLN H H 1 7.28 0.02 . 1 . . . . 16 GLN H . 16154 1 173 . 1 1 16 16 GLN HA H 1 4.16 0.02 . 1 . . . . 16 GLN HA . 16154 1 174 . 1 1 16 16 GLN HB2 H 1 1.85 0.02 . 2 . . . . 16 GLN HB2 . 16154 1 175 . 1 1 16 16 GLN HB3 H 1 2.19 0.02 . 2 . . . . 16 GLN HB3 . 16154 1 176 . 1 1 16 16 GLN HE21 H 1 7.8 0.02 . 2 . . . . 16 GLN HE21 . 16154 1 177 . 1 1 16 16 GLN HE22 H 1 6.92 0.02 . 2 . . . . 16 GLN HE22 . 16154 1 178 . 1 1 16 16 GLN HG2 H 1 2.12 0.02 . 2 . . . . 16 GLN HG2 . 16154 1 179 . 1 1 16 16 GLN HG3 H 1 2.45 0.02 . 2 . . . . 16 GLN HG3 . 16154 1 180 . 1 1 16 16 GLN C C 13 174.4 0.2 . 1 . . . . 16 GLN C . 16154 1 181 . 1 1 16 16 GLN CA C 13 56.3 0.2 . 1 . . . . 16 GLN CA . 16154 1 182 . 1 1 16 16 GLN CB C 13 30.3 0.2 . 1 . . . . 16 GLN CB . 16154 1 183 . 1 1 16 16 GLN CG C 13 32.5 0.2 . 1 . . . . 16 GLN CG . 16154 1 184 . 1 1 16 16 GLN N N 15 121.5 0.2 . 1 . . . . 16 GLN N . 16154 1 185 . 1 1 16 16 GLN NE2 N 15 108.5 0.2 . 1 . . . . 16 GLN NE2 . 16154 1 186 . 1 1 17 17 TRP H H 1 8.64 0.02 . 1 . . . . 17 TRP H . 16154 1 187 . 1 1 17 17 TRP HA H 1 5.4 0.02 . 1 . . . . 17 TRP HA . 16154 1 188 . 1 1 17 17 TRP HB2 H 1 3.02 0.02 . 2 . . . . 17 TRP HB2 . 16154 1 189 . 1 1 17 17 TRP HB3 H 1 3.15 0.02 . 2 . . . . 17 TRP HB3 . 16154 1 190 . 1 1 17 17 TRP HD1 H 1 7.33 0.02 . 1 . . . . 17 TRP HD1 . 16154 1 191 . 1 1 17 17 TRP HE1 H 1 9.95 0.02 . 1 . . . . 17 TRP HE1 . 16154 1 192 . 1 1 17 17 TRP HE3 H 1 7.28 0.02 . 1 . . . . 17 TRP HE3 . 16154 1 193 . 1 1 17 17 TRP HH2 H 1 7.14 0.02 . 1 . . . . 17 TRP HH2 . 16154 1 194 . 1 1 17 17 TRP HZ2 H 1 7.42 0.02 . 1 . . . . 17 TRP HZ2 . 16154 1 195 . 1 1 17 17 TRP HZ3 H 1 7.07 0.02 . 1 . . . . 17 TRP HZ3 . 16154 1 196 . 1 1 17 17 TRP C C 13 176.9 0.2 . 1 . . . . 17 TRP C . 16154 1 197 . 1 1 17 17 TRP CA C 13 56.4 0.2 . 1 . . . . 17 TRP CA . 16154 1 198 . 1 1 17 17 TRP CB C 13 30.3 0.2 . 1 . . . . 17 TRP CB . 16154 1 199 . 1 1 17 17 TRP CD1 C 13 127.5 0.2 . 1 . . . . 17 TRP CD1 . 16154 1 200 . 1 1 17 17 TRP CE3 C 13 120.7 0.2 . 1 . . . . 17 TRP CE3 . 16154 1 201 . 1 1 17 17 TRP CH2 C 13 123.9 0.2 . 1 . . . . 17 TRP CH2 . 16154 1 202 . 1 1 17 17 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 17 TRP CZ2 . 16154 1 203 . 1 1 17 17 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 17 TRP CZ3 . 16154 1 204 . 1 1 17 17 TRP N N 15 125.5 0.2 . 1 . . . . 17 TRP N . 16154 1 205 . 1 1 17 17 TRP NE1 N 15 129.2 0.2 . 1 . . . . 17 TRP NE1 . 16154 1 206 . 1 1 18 18 ALA H H 1 9.02 0.02 . 1 . . . . 18 ALA H . 16154 1 207 . 1 1 18 18 ALA HA H 1 4.65 0.02 . 1 . . . . 18 ALA HA . 16154 1 208 . 1 1 18 18 ALA HB1 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16154 1 209 . 1 1 18 18 ALA HB2 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16154 1 210 . 1 1 18 18 ALA HB3 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16154 1 211 . 1 1 18 18 ALA C C 13 174.1 0.2 . 1 . . . . 18 ALA C . 16154 1 212 . 1 1 18 18 ALA CA C 13 51.43 0.2 . 1 . . . . 18 ALA CA . 16154 1 213 . 1 1 18 18 ALA CB C 13 22.6 0.2 . 1 . . . . 18 ALA CB . 16154 1 214 . 1 1 18 18 ALA N N 15 124 0.2 . 1 . . . . 18 ALA N . 16154 1 215 . 1 1 19 19 ASN H H 1 8.25 0.02 . 1 . . . . 19 ASN H . 16154 1 216 . 1 1 19 19 ASN HA H 1 5.71 0.02 . 1 . . . . 19 ASN HA . 16154 1 217 . 1 1 19 19 ASN HB2 H 1 2.34 0.02 . 2 . . . . 19 ASN HB2 . 16154 1 218 . 1 1 19 19 ASN HB3 H 1 2.96 0.02 . 2 . . . . 19 ASN HB3 . 16154 1 219 . 1 1 19 19 ASN HD21 H 1 7.9 0.02 . 2 . . . . 19 ASN HD21 . 16154 1 220 . 1 1 19 19 ASN HD22 H 1 7.11 0.02 . 2 . . . . 19 ASN HD22 . 16154 1 221 . 1 1 19 19 ASN C C 13 173.5 0.2 . 1 . . . . 19 ASN C . 16154 1 222 . 1 1 19 19 ASN CA C 13 51.6 0.2 . 1 . . . . 19 ASN CA . 16154 1 223 . 1 1 19 19 ASN CB C 13 40.1 0.2 . 1 . . . . 19 ASN CB . 16154 1 224 . 1 1 19 19 ASN N N 15 116.5 0.2 . 1 . . . . 19 ASN N . 16154 1 225 . 1 1 19 19 ASN ND2 N 15 116.2 0.2 . 1 . . . . 19 ASN ND2 . 16154 1 226 . 1 1 20 20 LEU H H 1 9.28 0.02 . 1 . . . . 20 LEU H . 16154 1 227 . 1 1 20 20 LEU HA H 1 4.93 0.02 . 1 . . . . 20 LEU HA . 16154 1 228 . 1 1 20 20 LEU HB2 H 1 1.44 0.02 . 2 . . . . 20 LEU HB2 . 16154 1 229 . 1 1 20 20 LEU HB3 H 1 1.56 0.02 . 2 . . . . 20 LEU HB3 . 16154 1 230 . 1 1 20 20 LEU HD11 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16154 1 231 . 1 1 20 20 LEU HD12 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16154 1 232 . 1 1 20 20 LEU HD13 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16154 1 233 . 1 1 20 20 LEU HD21 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16154 1 234 . 1 1 20 20 LEU HD22 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16154 1 235 . 1 1 20 20 LEU HD23 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16154 1 236 . 1 1 20 20 LEU C C 13 174.8 0.2 . 1 . . . . 20 LEU C . 16154 1 237 . 1 1 20 20 LEU CA C 13 54.2 0.2 . 1 . . . . 20 LEU CA . 16154 1 238 . 1 1 20 20 LEU CB C 13 46.3 0.2 . 1 . . . . 20 LEU CB . 16154 1 239 . 1 1 20 20 LEU CD1 C 13 26.0 0.02 . 2 . . . . 20 LEU CD1 . 16154 1 240 . 1 1 20 20 LEU CD2 C 13 26.0 0.02 . 2 . . . . 20 LEU CD2 . 16154 1 241 . 1 1 20 20 LEU N N 15 121.8 0.2 . 1 . . . . 20 LEU N . 16154 1 242 . 1 1 21 21 LYS H H 1 8.55 0.02 . 1 . . . . 21 LYS H . 16154 1 243 . 1 1 21 21 LYS HA H 1 5.45 0.02 . 1 . . . . 21 LYS HA . 16154 1 244 . 1 1 21 21 LYS HB2 H 1 1.62 0.02 . 2 . . . . 21 LYS HB2 . 16154 1 245 . 1 1 21 21 LYS HB3 H 1 1.62 0.02 . 2 . . . . 21 LYS HB3 . 16154 1 246 . 1 1 21 21 LYS HD2 H 1 1.45 0.02 . 2 . . . . 21 LYS HD2 . 16154 1 247 . 1 1 21 21 LYS HD3 H 1 1.65 0.02 . 2 . . . . 21 LYS HD3 . 16154 1 248 . 1 1 21 21 LYS HE2 H 1 2.85 0.02 . 2 . . . . 21 LYS HE2 . 16154 1 249 . 1 1 21 21 LYS HE3 H 1 2.83 0.02 . 2 . . . . 21 LYS HE3 . 16154 1 250 . 1 1 21 21 LYS HG2 H 1 1.18 0.02 . 2 . . . . 21 LYS HG2 . 16154 1 251 . 1 1 21 21 LYS HG3 H 1 1.18 0.02 . 2 . . . . 21 LYS HG3 . 16154 1 252 . 1 1 21 21 LYS C C 13 174.8 0.2 . 1 . . . . 21 LYS C . 16154 1 253 . 1 1 21 21 LYS CA C 13 55.35 0.2 . 1 . . . . 21 LYS CA . 16154 1 254 . 1 1 21 21 LYS CB C 13 34.3 0.2 . 1 . . . . 21 LYS CB . 16154 1 255 . 1 1 21 21 LYS CD C 13 29.9 0.2 . 1 . . . . 21 LYS CD . 16154 1 256 . 1 1 21 21 LYS CE C 13 42 0.2 . 1 . . . . 21 LYS CE . 16154 1 257 . 1 1 21 21 LYS CG C 13 26.9 0.2 . 1 . . . . 21 LYS CG . 16154 1 258 . 1 1 21 21 LYS N N 15 122.5 0.2 . 1 . . . . 21 LYS N . 16154 1 259 . 1 1 22 22 ALA H H 1 9.09 0.02 . 1 . . . . 22 ALA H . 16154 1 260 . 1 1 22 22 ALA HA H 1 4.83 0.02 . 1 . . . . 22 ALA HA . 16154 1 261 . 1 1 22 22 ALA HB1 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16154 1 262 . 1 1 22 22 ALA HB2 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16154 1 263 . 1 1 22 22 ALA HB3 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16154 1 264 . 1 1 22 22 ALA C C 13 173.8 0.2 . 1 . . . . 22 ALA C . 16154 1 265 . 1 1 22 22 ALA CA C 13 51.3 0.2 . 1 . . . . 22 ALA CA . 16154 1 266 . 1 1 22 22 ALA CB C 13 24.7 0.2 . 1 . . . . 22 ALA CB . 16154 1 267 . 1 1 22 22 ALA N N 15 123.2 0.2 . 1 . . . . 22 ALA N . 16154 1 268 . 1 1 23 23 LYS H H 1 9.19 0.02 . 1 . . . . 23 LYS H . 16154 1 269 . 1 1 23 23 LYS HA H 1 5.08 0.02 . 1 . . . . 23 LYS HA . 16154 1 270 . 1 1 23 23 LYS HB2 H 1 1.4 0.02 . 2 . . . . 23 LYS HB2 . 16154 1 271 . 1 1 23 23 LYS HB3 H 1 1.65 0.02 . 2 . . . . 23 LYS HB3 . 16154 1 272 . 1 1 23 23 LYS HE2 H 1 2.83 0.02 . 2 . . . . 23 LYS HE2 . 16154 1 273 . 1 1 23 23 LYS HE3 H 1 2.96 0.02 . 2 . . . . 23 LYS HE3 . 16154 1 274 . 1 1 23 23 LYS HG2 H 1 1.40 0.02 . 2 . . . . 23 LYS HG2 . 16154 1 275 . 1 1 23 23 LYS HG3 H 1 1.65 0.02 . 2 . . . . 23 LYS HG3 . 16154 1 276 . 1 1 23 23 LYS C C 13 176.9 0.2 . 1 . . . . 23 LYS C . 16154 1 277 . 1 1 23 23 LYS CA C 13 54.1 0.2 . 1 . . . . 23 LYS CA . 16154 1 278 . 1 1 23 23 LYS CB C 13 35.8 0.2 . 1 . . . . 23 LYS CB . 16154 1 279 . 1 1 23 23 LYS CE C 13 41.9 0.2 . 1 . . . . 23 LYS CE . 16154 1 280 . 1 1 23 23 LYS CG C 13 35.7 0.2 . 1 . . . . 23 LYS CG . 16154 1 281 . 1 1 23 23 LYS N N 15 121.1 0.2 . 1 . . . . 23 LYS N . 16154 1 282 . 1 1 24 24 VAL H H 1 8.62 0.02 . 1 . . . . 24 VAL H . 16154 1 283 . 1 1 24 24 VAL HA H 1 4.11 0.02 . 1 . . . . 24 VAL HA . 16154 1 284 . 1 1 24 24 VAL HB H 1 2.49 0.02 . 1 . . . . 24 VAL HB . 16154 1 285 . 1 1 24 24 VAL HG11 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16154 1 286 . 1 1 24 24 VAL HG12 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16154 1 287 . 1 1 24 24 VAL HG13 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16154 1 288 . 1 1 24 24 VAL HG21 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16154 1 289 . 1 1 24 24 VAL HG22 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16154 1 290 . 1 1 24 24 VAL HG23 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16154 1 291 . 1 1 24 24 VAL C C 13 175.8 0.2 . 1 . . . . 24 VAL C . 16154 1 292 . 1 1 24 24 VAL CA C 13 62.75 0.2 . 1 . . . . 24 VAL CA . 16154 1 293 . 1 1 24 24 VAL CB C 13 30.5 0.2 . 1 . . . . 24 VAL CB . 16154 1 294 . 1 1 24 24 VAL CG1 C 13 21.8 0.02 . 2 . . . . 24 VAL CG1 . 16154 1 295 . 1 1 24 24 VAL CG2 C 13 22.8 0.02 . 2 . . . . 24 VAL CG2 . 16154 1 296 . 1 1 24 24 VAL N N 15 125.6 0.2 . 1 . . . . 24 VAL N . 16154 1 297 . 1 1 25 25 ILE H H 1 8.43 0.02 . 1 . . . . 25 ILE H . 16154 1 298 . 1 1 25 25 ILE HA H 1 4.21 0.02 . 1 . . . . 25 ILE HA . 16154 1 299 . 1 1 25 25 ILE HB H 1 1.79 0.02 . 1 . . . . 25 ILE HB . 16154 1 300 . 1 1 25 25 ILE HD11 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16154 1 301 . 1 1 25 25 ILE HD12 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16154 1 302 . 1 1 25 25 ILE HD13 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16154 1 303 . 1 1 25 25 ILE HG12 H 1 1.03 0.02 . 2 . . . . 25 ILE HG12 . 16154 1 304 . 1 1 25 25 ILE HG13 H 1 1.29 0.02 . 2 . . . . 25 ILE HG13 . 16154 1 305 . 1 1 25 25 ILE HG21 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16154 1 306 . 1 1 25 25 ILE HG22 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16154 1 307 . 1 1 25 25 ILE HG23 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16154 1 308 . 1 1 25 25 ILE C C 13 176.7 0.2 . 1 . . . . 25 ILE C . 16154 1 309 . 1 1 25 25 ILE CA C 13 62.1 0.2 . 1 . . . . 25 ILE CA . 16154 1 310 . 1 1 25 25 ILE CB C 13 38.3 0.2 . 1 . . . . 25 ILE CB . 16154 1 311 . 1 1 25 25 ILE CD1 C 13 13 0.2 . 1 . . . . 25 ILE CD1 . 16154 1 312 . 1 1 25 25 ILE CG1 C 13 26.9 0.2 . 1 . . . . 25 ILE CG1 . 16154 1 313 . 1 1 25 25 ILE CG2 C 13 17.9 0.2 . 1 . . . . 25 ILE CG2 . 16154 1 314 . 1 1 25 25 ILE N N 15 127.4 0.2 . 1 . . . . 25 ILE N . 16154 1 315 . 1 1 26 26 GLN H H 1 7.59 0.02 . 1 . . . . 26 GLN H . 16154 1 316 . 1 1 26 26 GLN HA H 1 4.56 0.02 . 1 . . . . 26 GLN HA . 16154 1 317 . 1 1 26 26 GLN HB2 H 1 1.88 0.02 . 2 . . . . 26 GLN HB2 . 16154 1 318 . 1 1 26 26 GLN HB3 H 1 1.88 0.02 . 2 . . . . 26 GLN HB3 . 16154 1 319 . 1 1 26 26 GLN HE21 H 1 7.69 0.02 . 2 . . . . 26 GLN HE21 . 16154 1 320 . 1 1 26 26 GLN HE22 H 1 6.95 0.02 . 2 . . . . 26 GLN HE22 . 16154 1 321 . 1 1 26 26 GLN HG2 H 1 2.32 0.02 . 2 . . . . 26 GLN HG2 . 16154 1 322 . 1 1 26 26 GLN HG3 H 1 2.47 0.02 . 2 . . . . 26 GLN HG3 . 16154 1 323 . 1 1 26 26 GLN C C 13 173.7 0.2 . 1 . . . . 26 GLN C . 16154 1 324 . 1 1 26 26 GLN CA C 13 55.4 0.2 . 1 . . . . 26 GLN CA . 16154 1 325 . 1 1 26 26 GLN CB C 13 34.1 0.2 . 1 . . . . 26 GLN CB . 16154 1 326 . 1 1 26 26 GLN CG C 13 34.3 0.2 . 1 . . . . 26 GLN CG . 16154 1 327 . 1 1 26 26 GLN N N 15 117.1 0.2 . 1 . . . . 26 GLN N . 16154 1 328 . 1 1 26 26 GLN NE2 N 15 111.7 0.2 . 1 . . . . 26 GLN NE2 . 16154 1 329 . 1 1 27 27 LEU H H 1 8.47 0.02 . 1 . . . . 27 LEU H . 16154 1 330 . 1 1 27 27 LEU HA H 1 4.71 0.02 . 1 . . . . 27 LEU HA . 16154 1 331 . 1 1 27 27 LEU HB2 H 1 1.48 0.02 . 2 . . . . 27 LEU HB2 . 16154 1 332 . 1 1 27 27 LEU HB3 H 1 1.79 0.02 . 2 . . . . 27 LEU HB3 . 16154 1 333 . 1 1 27 27 LEU HD11 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16154 1 334 . 1 1 27 27 LEU HD12 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16154 1 335 . 1 1 27 27 LEU HD13 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16154 1 336 . 1 1 27 27 LEU HD21 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16154 1 337 . 1 1 27 27 LEU HD22 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16154 1 338 . 1 1 27 27 LEU HD23 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16154 1 339 . 1 1 27 27 LEU HG H 1 1.43 0.02 . 1 . . . . 27 LEU HG . 16154 1 340 . 1 1 27 27 LEU C C 13 176.2 0.2 . 1 . . . . 27 LEU C . 16154 1 341 . 1 1 27 27 LEU CA C 13 54.1 0.2 . 1 . . . . 27 LEU CA . 16154 1 342 . 1 1 27 27 LEU CB C 13 44 0.2 . 1 . . . . 27 LEU CB . 16154 1 343 . 1 1 27 27 LEU CD1 C 13 25.7 0.02 . 2 . . . . 27 LEU CD1 . 16154 1 344 . 1 1 27 27 LEU CD2 C 13 25 0.02 . 2 . . . . 27 LEU CD2 . 16154 1 345 . 1 1 27 27 LEU CG C 13 26.9 0.2 . 1 . . . . 27 LEU CG . 16154 1 346 . 1 1 27 27 LEU N N 15 123.6 0.2 . 1 . . . . 27 LEU N . 16154 1 347 . 1 1 28 28 TRP H H 1 8.85 0.02 . 1 . . . . 28 TRP H . 16154 1 348 . 1 1 28 28 TRP HA H 1 5.18 0.02 . 1 . . . . 28 TRP HA . 16154 1 349 . 1 1 28 28 TRP HB2 H 1 2.9 0.02 . 2 . . . . 28 TRP HB2 . 16154 1 350 . 1 1 28 28 TRP HB3 H 1 3.23 0.02 . 2 . . . . 28 TRP HB3 . 16154 1 351 . 1 1 28 28 TRP HD1 H 1 6.9 0.02 . 1 . . . . 28 TRP HD1 . 16154 1 352 . 1 1 28 28 TRP HE1 H 1 10.11 0.02 . 1 . . . . 28 TRP HE1 . 16154 1 353 . 1 1 28 28 TRP HE3 H 1 7.32 0.02 . 1 . . . . 28 TRP HE3 . 16154 1 354 . 1 1 28 28 TRP HH2 H 1 7.06 0.02 . 1 . . . . 28 TRP HH2 . 16154 1 355 . 1 1 28 28 TRP HZ2 H 1 7.25 0.02 . 1 . . . . 28 TRP HZ2 . 16154 1 356 . 1 1 28 28 TRP HZ3 H 1 6.77 0.02 . 1 . . . . 28 TRP HZ3 . 16154 1 357 . 1 1 28 28 TRP C C 13 175.9 0.2 . 1 . . . . 28 TRP C . 16154 1 358 . 1 1 28 28 TRP CA C 13 53.3 0.2 . 1 . . . . 28 TRP CA . 16154 1 359 . 1 1 28 28 TRP CB C 13 31.4 0.2 . 1 . . . . 28 TRP CB . 16154 1 360 . 1 1 28 28 TRP CD1 C 13 124 0.2 . 1 . . . . 28 TRP CD1 . 16154 1 361 . 1 1 28 28 TRP CE3 C 13 120.6 0.2 . 1 . . . . 28 TRP CE3 . 16154 1 362 . 1 1 28 28 TRP CH2 C 13 124.4 0.2 . 1 . . . . 28 TRP CH2 . 16154 1 363 . 1 1 28 28 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 28 TRP CZ2 . 16154 1 364 . 1 1 28 28 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 28 TRP CZ3 . 16154 1 365 . 1 1 28 28 TRP N N 15 123.9 0.2 . 1 . . . . 28 TRP N . 16154 1 366 . 1 1 28 28 TRP NE1 N 15 127.7 0.2 . 1 . . . . 28 TRP NE1 . 16154 1 367 . 1 1 29 29 GLU H H 1 8.62 0.02 . 1 . . . . 29 GLU H . 16154 1 368 . 1 1 29 29 GLU HA H 1 4.25 0.02 . 1 . . . . 29 GLU HA . 16154 1 369 . 1 1 29 29 GLU HB2 H 1 1.93 0.02 . 2 . . . . 29 GLU HB2 . 16154 1 370 . 1 1 29 29 GLU HB3 H 1 1.93 0.02 . 2 . . . . 29 GLU HB3 . 16154 1 371 . 1 1 29 29 GLU HG2 H 1 2.24 0.02 . 2 . . . . 29 GLU HG2 . 16154 1 372 . 1 1 29 29 GLU HG3 H 1 2.24 0.02 . 2 . . . . 29 GLU HG3 . 16154 1 373 . 1 1 29 29 GLU C C 13 175.7 0.2 . 1 . . . . 29 GLU C . 16154 1 374 . 1 1 29 29 GLU CA C 13 56.8 0.2 . 1 . . . . 29 GLU CA . 16154 1 375 . 1 1 29 29 GLU CB C 13 30 0.2 . 1 . . . . 29 GLU CB . 16154 1 376 . 1 1 29 29 GLU CG C 13 36.1 0.2 . 1 . . . . 29 GLU CG . 16154 1 377 . 1 1 29 29 GLU N N 15 120.7 0.2 . 1 . . . . 29 GLU N . 16154 1 378 . 1 1 30 30 ASN H H 1 8.72 0.02 . 1 . . . . 30 ASN H . 16154 1 379 . 1 1 30 30 ASN HA H 1 4.87 0.02 . 1 . . . . 30 ASN HA . 16154 1 380 . 1 1 30 30 ASN HB2 H 1 2.63 0.02 . 2 . . . . 30 ASN HB2 . 16154 1 381 . 1 1 30 30 ASN HB3 H 1 2.63 0.02 . 2 . . . . 30 ASN HB3 . 16154 1 382 . 1 1 30 30 ASN HD21 H 1 7.54 0.02 . 2 . . . . 30 ASN HD21 . 16154 1 383 . 1 1 30 30 ASN HD22 H 1 7.15 0.02 . 2 . . . . 30 ASN HD22 . 16154 1 384 . 1 1 30 30 ASN C C 13 174.8 0.2 . 1 . . . . 30 ASN C . 16154 1 385 . 1 1 30 30 ASN CA C 13 53.8 0.2 . 1 . . . . 30 ASN CA . 16154 1 386 . 1 1 30 30 ASN CB C 13 41.2 0.2 . 1 . . . . 30 ASN CB . 16154 1 387 . 1 1 30 30 ASN N N 15 121.4 0.2 . 1 . . . . 30 ASN N . 16154 1 388 . 1 1 30 30 ASN ND2 N 15 118.4 0.2 . 1 . . . . 30 ASN ND2 . 16154 1 389 . 1 1 31 31 THR H H 1 8.3 0.02 . 1 . . . . 31 THR H . 16154 1 390 . 1 1 31 31 THR HA H 1 4.43 0.02 . 1 . . . . 31 THR HA . 16154 1 391 . 1 1 31 31 THR HB H 1 4.42 0.02 . 1 . . . . 31 THR HB . 16154 1 392 . 1 1 31 31 THR HG21 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16154 1 393 . 1 1 31 31 THR HG22 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16154 1 394 . 1 1 31 31 THR HG23 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16154 1 395 . 1 1 31 31 THR C C 13 174.2 0.2 . 1 . . . . 31 THR C . 16154 1 396 . 1 1 31 31 THR CA C 13 61 0.2 . 1 . . . . 31 THR CA . 16154 1 397 . 1 1 31 31 THR CB C 13 69.6 0.2 . 1 . . . . 31 THR CB . 16154 1 398 . 1 1 31 31 THR CG2 C 13 21.3 0.2 . 1 . . . . 31 THR CG2 . 16154 1 399 . 1 1 31 31 THR N N 15 114.2 0.2 . 1 . . . . 31 THR N . 16154 1 400 . 1 1 32 32 HIS H H 1 7.84 0.02 . 1 . . . . 32 HIS H . 16154 1 401 . 1 1 32 32 HIS HA H 1 4.56 0.02 . 1 . . . . 32 HIS HA . 16154 1 402 . 1 1 32 32 HIS HB2 H 1 3.13 0.02 . 2 . . . . 32 HIS HB2 . 16154 1 403 . 1 1 32 32 HIS HB3 H 1 3.13 0.02 . 2 . . . . 32 HIS HB3 . 16154 1 404 . 1 1 32 32 HIS HD2 H 1 7.19 0.02 . 1 . . . . 32 HIS HD2 . 16154 1 405 . 1 1 32 32 HIS C C 13 177.3 0.2 . 1 . . . . 32 HIS C . 16154 1 406 . 1 1 32 32 HIS CA C 13 57.6 0.2 . 1 . . . . 32 HIS CA . 16154 1 407 . 1 1 32 32 HIS CB C 13 32 0.2 . 1 . . . . 32 HIS CB . 16154 1 408 . 1 1 32 32 HIS CD2 C 13 119.1 0.2 . 1 . . . . 32 HIS CD2 . 16154 1 409 . 1 1 32 32 HIS N N 15 122.5 0.2 . 1 . . . . 32 HIS N . 16154 1 410 . 1 1 33 33 GLU H H 1 9.02 0.02 . 1 . . . . 33 GLU H . 16154 1 411 . 1 1 33 33 GLU HA H 1 4.12 0.02 . 1 . . . . 33 GLU HA . 16154 1 412 . 1 1 33 33 GLU HB2 H 1 2.04 0.02 . 2 . . . . 33 GLU HB2 . 16154 1 413 . 1 1 33 33 GLU HB3 H 1 2.04 0.02 . 2 . . . . 33 GLU HB3 . 16154 1 414 . 1 1 33 33 GLU HG2 H 1 2.29 0.02 . 2 . . . . 33 GLU HG2 . 16154 1 415 . 1 1 33 33 GLU HG3 H 1 2.29 0.02 . 2 . . . . 33 GLU HG3 . 16154 1 416 . 1 1 33 33 GLU C C 13 177.1 0.2 . 1 . . . . 33 GLU C . 16154 1 417 . 1 1 33 33 GLU CA C 13 59 0.2 . 1 . . . . 33 GLU CA . 16154 1 418 . 1 1 33 33 GLU CB C 13 29.4 0.2 . 1 . . . . 33 GLU CB . 16154 1 419 . 1 1 33 33 GLU CG C 13 35.7 0.2 . 1 . . . . 33 GLU CG . 16154 1 420 . 1 1 33 33 GLU N N 15 127.3 0.2 . 1 . . . . 33 GLU N . 16154 1 421 . 1 1 34 34 SER H H 1 9.43 0.02 . 1 . . . . 34 SER H . 16154 1 422 . 1 1 34 34 SER HA H 1 4.58 0.02 . 1 . . . . 34 SER HA . 16154 1 423 . 1 1 34 34 SER HB2 H 1 4.14 0.02 . 2 . . . . 34 SER HB2 . 16154 1 424 . 1 1 34 34 SER HB3 H 1 4.18 0.02 . 2 . . . . 34 SER HB3 . 16154 1 425 . 1 1 34 34 SER C C 13 174.8 0.2 . 1 . . . . 34 SER C . 16154 1 426 . 1 1 34 34 SER CA C 13 59.5 0.2 . 1 . . . . 34 SER CA . 16154 1 427 . 1 1 34 34 SER CB C 13 63.6 0.2 . 1 . . . . 34 SER CB . 16154 1 428 . 1 1 34 34 SER N N 15 113.4 0.2 . 1 . . . . 34 SER N . 16154 1 429 . 1 1 35 35 ILE H H 1 7.92 0.02 . 1 . . . . 35 ILE H . 16154 1 430 . 1 1 35 35 ILE HA H 1 4.08 0.02 . 1 . . . . 35 ILE HA . 16154 1 431 . 1 1 35 35 ILE HB H 1 1.84 0.02 . 1 . . . . 35 ILE HB . 16154 1 432 . 1 1 35 35 ILE HD11 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16154 1 433 . 1 1 35 35 ILE HD12 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16154 1 434 . 1 1 35 35 ILE HD13 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16154 1 435 . 1 1 35 35 ILE HG12 H 1 0.25 0.02 . 2 . . . . 35 ILE HG12 . 16154 1 436 . 1 1 35 35 ILE HG13 H 1 1.32 0.02 . 2 . . . . 35 ILE HG13 . 16154 1 437 . 1 1 35 35 ILE HG21 H 1 0.52 0.02 . 1 . . . . 35 ILE HG2 . 16154 1 438 . 1 1 35 35 ILE HG22 H 1 0.52 0.02 . 1 . . . . 35 ILE HG2 . 16154 1 439 . 1 1 35 35 ILE HG23 H 1 0.52 0.02 . 1 . . . . 35 ILE HG2 . 16154 1 440 . 1 1 35 35 ILE C C 13 174.3 0.2 . 1 . . . . 35 ILE C . 16154 1 441 . 1 1 35 35 ILE CA C 13 61.6 0.2 . 1 . . . . 35 ILE CA . 16154 1 442 . 1 1 35 35 ILE CB C 13 40.7 0.2 . 1 . . . . 35 ILE CB . 16154 1 443 . 1 1 35 35 ILE CD1 C 13 12.5 0.2 . 1 . . . . 35 ILE CD1 . 16154 1 444 . 1 1 35 35 ILE CG1 C 13 28.5 0.2 . 1 . . . . 35 ILE CG1 . 16154 1 445 . 1 1 35 35 ILE CG2 C 13 18.0 0.2 . 1 . . . . 35 ILE CG2 . 16154 1 446 . 1 1 35 35 ILE N N 15 125.8 0.2 . 1 . . . . 35 ILE N . 16154 1 447 . 1 1 36 36 SER H H 1 9.01 0.02 . 1 . . . . 36 SER H . 16154 1 448 . 1 1 36 36 SER HA H 1 4.48 0.02 . 1 . . . . 36 SER HA . 16154 1 449 . 1 1 36 36 SER HB2 H 1 3.56 0.02 . 2 . . . . 36 SER HB2 . 16154 1 450 . 1 1 36 36 SER HB3 H 1 3.56 0.02 . 2 . . . . 36 SER HB3 . 16154 1 451 . 1 1 36 36 SER C C 13 174.9 0.2 . 1 . . . . 36 SER C . 16154 1 452 . 1 1 36 36 SER CA C 13 58.8 0.2 . 1 . . . . 36 SER CA . 16154 1 453 . 1 1 36 36 SER CB C 13 64.3 0.2 . 1 . . . . 36 SER CB . 16154 1 454 . 1 1 36 36 SER N N 15 119.1 0.2 . 1 . . . . 36 SER N . 16154 1 455 . 1 1 37 37 GLN H H 1 7.39 0.02 . 1 . . . . 37 GLN H . 16154 1 456 . 1 1 37 37 GLN HA H 1 4.69 0.02 . 1 . . . . 37 GLN HA . 16154 1 457 . 1 1 37 37 GLN HB2 H 1 1.81 0.02 . 2 . . . . 37 GLN HB2 . 16154 1 458 . 1 1 37 37 GLN HB3 H 1 1.81 0.02 . 2 . . . . 37 GLN HB3 . 16154 1 459 . 1 1 37 37 GLN HE21 H 1 7.88 0.02 . 2 . . . . 37 GLN HE21 . 16154 1 460 . 1 1 37 37 GLN HE22 H 1 7.67 0.02 . 2 . . . . 37 GLN HE22 . 16154 1 461 . 1 1 37 37 GLN HG2 H 1 2.31 0.02 . 2 . . . . 37 GLN HG2 . 16154 1 462 . 1 1 37 37 GLN HG3 H 1 2.31 0.02 . 2 . . . . 37 GLN HG3 . 16154 1 463 . 1 1 37 37 GLN C C 13 171.8 0.2 . 1 . . . . 37 GLN C . 16154 1 464 . 1 1 37 37 GLN CA C 13 54.9 0.2 . 1 . . . . 37 GLN CA . 16154 1 465 . 1 1 37 37 GLN CB C 13 36.2 0.2 . 1 . . . . 37 GLN CB . 16154 1 466 . 1 1 37 37 GLN N N 15 116.5 0.2 . 1 . . . . 37 GLN N . 16154 1 467 . 1 1 37 37 GLN NE2 N 15 113.7 0.2 . 1 . . . . 37 GLN NE2 . 16154 1 468 . 1 1 38 38 VAL H H 1 8.64 0.02 . 1 . . . . 38 VAL H . 16154 1 469 . 1 1 38 38 VAL HA H 1 4.16 0.02 . 1 . . . . 38 VAL HA . 16154 1 470 . 1 1 38 38 VAL HB H 1 1.74 0.02 . 1 . . . . 38 VAL HB . 16154 1 471 . 1 1 38 38 VAL HG11 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16154 1 472 . 1 1 38 38 VAL HG12 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16154 1 473 . 1 1 38 38 VAL HG13 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16154 1 474 . 1 1 38 38 VAL HG21 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16154 1 475 . 1 1 38 38 VAL HG22 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16154 1 476 . 1 1 38 38 VAL HG23 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16154 1 477 . 1 1 38 38 VAL C C 13 172.4 0.2 . 1 . . . . 38 VAL C . 16154 1 478 . 1 1 38 38 VAL CA C 13 58.5 0.2 . 1 . . . . 38 VAL CA . 16154 1 479 . 1 1 38 38 VAL CB C 13 35.3 0.2 . 1 . . . . 38 VAL CB . 16154 1 480 . 1 1 38 38 VAL CG1 C 13 21.2 0.02 . 2 . . . . 38 VAL CG1 . 16154 1 481 . 1 1 38 38 VAL CG2 C 13 21.2 0.02 . 2 . . . . 38 VAL CG2 . 16154 1 482 . 1 1 38 38 VAL N N 15 120.4 0.2 . 1 . . . . 38 VAL N . 16154 1 483 . 1 1 39 39 GLY H H 1 6.44 0.02 . 1 . . . . 39 GLY H . 16154 1 484 . 1 1 39 39 GLY HA2 H 1 3.69 0.02 . 2 . . . . 39 GLY HA2 . 16154 1 485 . 1 1 39 39 GLY HA3 H 1 1.94 0.02 . 2 . . . . 39 GLY HA3 . 16154 1 486 . 1 1 39 39 GLY C C 13 170.6 0.2 . 1 . . . . 39 GLY C . 16154 1 487 . 1 1 39 39 GLY CA C 13 45.3 0.2 . 1 . . . . 39 GLY CA . 16154 1 488 . 1 1 39 39 GLY N N 15 109.6 0.2 . 1 . . . . 39 GLY N . 16154 1 489 . 1 1 40 40 LEU H H 1 8.38 0.02 . 1 . . . . 40 LEU H . 16154 1 490 . 1 1 40 40 LEU HA H 1 4.98 0.02 . 1 . . . . 40 LEU HA . 16154 1 491 . 1 1 40 40 LEU HB2 H 1 1.23 0.02 . 2 . . . . 40 LEU HB2 . 16154 1 492 . 1 1 40 40 LEU HB3 H 1 1.34 0.02 . 2 . . . . 40 LEU HB3 . 16154 1 493 . 1 1 40 40 LEU HD11 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16154 1 494 . 1 1 40 40 LEU HD12 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16154 1 495 . 1 1 40 40 LEU HD13 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16154 1 496 . 1 1 40 40 LEU HD21 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16154 1 497 . 1 1 40 40 LEU HD22 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16154 1 498 . 1 1 40 40 LEU HD23 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16154 1 499 . 1 1 40 40 LEU C C 13 176.0 0.2 . 1 . . . . 40 LEU C . 16154 1 500 . 1 1 40 40 LEU CA C 13 53.2 0.2 . 1 . . . . 40 LEU CA . 16154 1 501 . 1 1 40 40 LEU CB C 13 47.4 0.2 . 1 . . . . 40 LEU CB . 16154 1 502 . 1 1 40 40 LEU CD1 C 13 23.4 0.02 . 2 . . . . 40 LEU CD1 . 16154 1 503 . 1 1 40 40 LEU CD2 C 13 25.3 0.02 . 2 . . . . 40 LEU CD2 . 16154 1 504 . 1 1 40 40 LEU N N 15 119.5 0.2 . 1 . . . . 40 LEU N . 16154 1 505 . 1 1 41 41 LEU H H 1 9.41 0.02 . 1 . . . . 41 LEU H . 16154 1 506 . 1 1 41 41 LEU HA H 1 5.32 0.02 . 1 . . . . 41 LEU HA . 16154 1 507 . 1 1 41 41 LEU HB2 H 1 1.17 0.02 . 2 . . . . 41 LEU HB2 . 16154 1 508 . 1 1 41 41 LEU HB3 H 1 1.69 0.02 . 2 . . . . 41 LEU HB3 . 16154 1 509 . 1 1 41 41 LEU HD11 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16154 1 510 . 1 1 41 41 LEU HD12 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16154 1 511 . 1 1 41 41 LEU HD13 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16154 1 512 . 1 1 41 41 LEU HD21 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16154 1 513 . 1 1 41 41 LEU HD22 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16154 1 514 . 1 1 41 41 LEU HD23 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16154 1 515 . 1 1 41 41 LEU HG H 1 1.60 0.02 . 1 . . . . 41 LEU HG . 16154 1 516 . 1 1 41 41 LEU C C 13 176.7 0.2 . 1 . . . . 41 LEU C . 16154 1 517 . 1 1 41 41 LEU CA C 13 52.4 0.2 . 1 . . . . 41 LEU CA . 16154 1 518 . 1 1 41 41 LEU CB C 13 44.9 0.2 . 1 . . . . 41 LEU CB . 16154 1 519 . 1 1 41 41 LEU CD1 C 13 25.9 0.02 . 2 . . . . 41 LEU CD1 . 16154 1 520 . 1 1 41 41 LEU CD2 C 13 22.4 0.02 . 2 . . . . 41 LEU CD2 . 16154 1 521 . 1 1 41 41 LEU CG C 13 25.9 0.2 . 1 . . . . 41 LEU CG . 16154 1 522 . 1 1 41 41 LEU N N 15 122.7 0.2 . 1 . . . . 41 LEU N . 16154 1 523 . 1 1 42 42 GLY H H 1 9.21 0.02 . 1 . . . . 42 GLY H . 16154 1 524 . 1 1 42 42 GLY HA2 H 1 3.55 0.02 . 2 . . . . 42 GLY HA2 . 16154 1 525 . 1 1 42 42 GLY HA3 H 1 5.35 0.02 . 2 . . . . 42 GLY HA3 . 16154 1 526 . 1 1 42 42 GLY C C 13 171.2 0.2 . 1 . . . . 42 GLY C . 16154 1 527 . 1 1 42 42 GLY CA C 13 45.7 0.2 . 1 . . . . 42 GLY CA . 16154 1 528 . 1 1 42 42 GLY N N 15 104.6 0.2 . 1 . . . . 42 GLY N . 16154 1 529 . 1 1 43 43 ASP H H 1 8.96 0.02 . 1 . . . . 43 ASP H . 16154 1 530 . 1 1 43 43 ASP HA H 1 4.64 0.02 . 1 . . . . 43 ASP HA . 16154 1 531 . 1 1 43 43 ASP HB2 H 1 3.04 0.02 . 2 . . . . 43 ASP HB2 . 16154 1 532 . 1 1 43 43 ASP HB3 H 1 3.24 0.02 . 2 . . . . 43 ASP HB3 . 16154 1 533 . 1 1 43 43 ASP C C 13 175.6 0.2 . 1 . . . . 43 ASP C . 16154 1 534 . 1 1 43 43 ASP CA C 13 52.7 0.2 . 1 . . . . 43 ASP CA . 16154 1 535 . 1 1 43 43 ASP CB C 13 41.6 0.2 . 1 . . . . 43 ASP CB . 16154 1 536 . 1 1 43 43 ASP N N 15 121.9 0.2 . 1 . . . . 43 ASP N . 16154 1 537 . 1 1 44 44 GLU H H 1 10.15 0.02 . 1 . . . . 44 GLU H . 16154 1 538 . 1 1 44 44 GLU HA H 1 4.38 0.02 . 1 . . . . 44 GLU HA . 16154 1 539 . 1 1 44 44 GLU HB2 H 1 2.04 0.02 . 2 . . . . 44 GLU HB2 . 16154 1 540 . 1 1 44 44 GLU HB3 H 1 2.17 0.02 . 2 . . . . 44 GLU HB3 . 16154 1 541 . 1 1 44 44 GLU HG2 H 1 2.3 0.02 . 2 . . . . 44 GLU HG2 . 16154 1 542 . 1 1 44 44 GLU HG3 H 1 2.57 0.02 . 2 . . . . 44 GLU HG3 . 16154 1 543 . 1 1 44 44 GLU C C 13 176.9 0.2 . 1 . . . . 44 GLU C . 16154 1 544 . 1 1 44 44 GLU CA C 13 59.3 0.2 . 1 . . . . 44 GLU CA . 16154 1 545 . 1 1 44 44 GLU CB C 13 28.1 0.2 . 1 . . . . 44 GLU CB . 16154 1 546 . 1 1 44 44 GLU CG C 13 35.7 0.2 . 1 . . . . 44 GLU CG . 16154 1 547 . 1 1 44 44 GLU N N 15 118 0.2 . 1 . . . . 44 GLU N . 16154 1 548 . 1 1 45 45 THR H H 1 9.6 0.02 . 1 . . . . 45 THR H . 16154 1 549 . 1 1 45 45 THR HA H 1 4.58 0.02 . 1 . . . . 45 THR HA . 16154 1 550 . 1 1 45 45 THR HB H 1 4.2 0.02 . 1 . . . . 45 THR HB . 16154 1 551 . 1 1 45 45 THR HG21 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16154 1 552 . 1 1 45 45 THR HG22 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16154 1 553 . 1 1 45 45 THR HG23 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16154 1 554 . 1 1 45 45 THR C C 13 174.8 0.2 . 1 . . . . 45 THR C . 16154 1 555 . 1 1 45 45 THR CA C 13 61.7 0.2 . 1 . . . . 45 THR CA . 16154 1 556 . 1 1 45 45 THR CB C 13 70 0.2 . 1 . . . . 45 THR CB . 16154 1 557 . 1 1 45 45 THR CG2 C 13 23 0.2 . 1 . . . . 45 THR CG2 . 16154 1 558 . 1 1 45 45 THR N N 15 112 0.2 . 1 . . . . 45 THR N . 16154 1 559 . 1 1 46 46 GLY H H 1 7.64 0.02 . 1 . . . . 46 GLY H . 16154 1 560 . 1 1 46 46 GLY HA2 H 1 3.83 0.02 . 2 . . . . 46 GLY HA2 . 16154 1 561 . 1 1 46 46 GLY HA3 H 1 4 0.02 . 2 . . . . 46 GLY HA3 . 16154 1 562 . 1 1 46 46 GLY C C 13 169.4 0.2 . 1 . . . . 46 GLY C . 16154 1 563 . 1 1 46 46 GLY CA C 13 46 0.2 . 1 . . . . 46 GLY CA . 16154 1 564 . 1 1 46 46 GLY N N 15 110.6 0.2 . 1 . . . . 46 GLY N . 16154 1 565 . 1 1 47 47 ILE H H 1 8 0.02 . 1 . . . . 47 ILE H . 16154 1 566 . 1 1 47 47 ILE HA H 1 5.45 0.02 . 1 . . . . 47 ILE HA . 16154 1 567 . 1 1 47 47 ILE HB H 1 1.71 0.02 . 1 . . . . 47 ILE HB . 16154 1 568 . 1 1 47 47 ILE HD11 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16154 1 569 . 1 1 47 47 ILE HD12 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16154 1 570 . 1 1 47 47 ILE HD13 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16154 1 571 . 1 1 47 47 ILE HG12 H 1 1.18 0.02 . 2 . . . . 47 ILE HG12 . 16154 1 572 . 1 1 47 47 ILE HG13 H 1 1.46 0.02 . 2 . . . . 47 ILE HG13 . 16154 1 573 . 1 1 47 47 ILE HG21 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16154 1 574 . 1 1 47 47 ILE HG22 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16154 1 575 . 1 1 47 47 ILE HG23 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16154 1 576 . 1 1 47 47 ILE C C 13 175.2 0.2 . 1 . . . . 47 ILE C . 16154 1 577 . 1 1 47 47 ILE CA C 13 59.1 0.2 . 1 . . . . 47 ILE CA . 16154 1 578 . 1 1 47 47 ILE CB C 13 42.4 0.2 . 1 . . . . 47 ILE CB . 16154 1 579 . 1 1 47 47 ILE CD1 C 13 13.9 0.2 . 1 . . . . 47 ILE CD1 . 16154 1 580 . 1 1 47 47 ILE CG1 C 13 26.7 0.2 . 1 . . . . 47 ILE CG1 . 16154 1 581 . 1 1 47 47 ILE CG2 C 13 18.7 0.2 . 1 . . . . 47 ILE CG2 . 16154 1 582 . 1 1 47 47 ILE N N 15 113.9 0.2 . 1 . . . . 47 ILE N . 16154 1 583 . 1 1 48 48 ILE H H 1 9.34 0.02 . 1 . . . . 48 ILE H . 16154 1 584 . 1 1 48 48 ILE HA H 1 4.64 0.02 . 1 . . . . 48 ILE HA . 16154 1 585 . 1 1 48 48 ILE HB H 1 1.66 0.02 . 1 . . . . 48 ILE HB . 16154 1 586 . 1 1 48 48 ILE HD11 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16154 1 587 . 1 1 48 48 ILE HD12 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16154 1 588 . 1 1 48 48 ILE HD13 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16154 1 589 . 1 1 48 48 ILE HG12 H 1 1.7 0.02 . 2 . . . . 48 ILE HG12 . 16154 1 590 . 1 1 48 48 ILE HG13 H 1 1.88 0.02 . 2 . . . . 48 ILE HG13 . 16154 1 591 . 1 1 48 48 ILE HG21 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16154 1 592 . 1 1 48 48 ILE HG22 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16154 1 593 . 1 1 48 48 ILE HG23 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16154 1 594 . 1 1 48 48 ILE C C 13 171.5 0.2 . 1 . . . . 48 ILE C . 16154 1 595 . 1 1 48 48 ILE CA C 13 60.6 0.2 . 1 . . . . 48 ILE CA . 16154 1 596 . 1 1 48 48 ILE CB C 13 42 0.2 . 1 . . . . 48 ILE CB . 16154 1 597 . 1 1 48 48 ILE CD1 C 13 15.6 0.2 . 1 . . . . 48 ILE CD1 . 16154 1 598 . 1 1 48 48 ILE CG1 C 13 29.4 0.2 . 1 . . . . 48 ILE CG1 . 16154 1 599 . 1 1 48 48 ILE CG2 C 13 15.6 0.2 . 1 . . . . 48 ILE CG2 . 16154 1 600 . 1 1 48 48 ILE N N 15 123.6 0.2 . 1 . . . . 48 ILE N . 16154 1 601 . 1 1 49 49 LYS H H 1 8.35 0.02 . 1 . . . . 49 LYS H . 16154 1 602 . 1 1 49 49 LYS HA H 1 4.82 0.02 . 1 . . . . 49 LYS HA . 16154 1 603 . 1 1 49 49 LYS HB2 H 1 1.51 0.02 . 2 . . . . 49 LYS HB2 . 16154 1 604 . 1 1 49 49 LYS HB3 H 1 1.72 0.02 . 2 . . . . 49 LYS HB3 . 16154 1 605 . 1 1 49 49 LYS HD2 H 1 0.90 0.02 . 2 . . . . 49 LYS HD2 . 16154 1 606 . 1 1 49 49 LYS HD3 H 1 1.29 0.02 . 2 . . . . 49 LYS HD3 . 16154 1 607 . 1 1 49 49 LYS HE2 H 1 2.41 0.02 . 2 . . . . 49 LYS HE2 . 16154 1 608 . 1 1 49 49 LYS HE3 H 1 2.62 0.02 . 2 . . . . 49 LYS HE3 . 16154 1 609 . 1 1 49 49 LYS HG2 H 1 0.96 0.02 . 2 . . . . 49 LYS HG2 . 16154 1 610 . 1 1 49 49 LYS HG3 H 1 1.17 0.02 . 2 . . . . 49 LYS HG3 . 16154 1 611 . 1 1 49 49 LYS C C 13 174.7 0.2 . 1 . . . . 49 LYS C . 16154 1 612 . 1 1 49 49 LYS CA C 13 56.4 0.2 . 1 . . . . 49 LYS CA . 16154 1 613 . 1 1 49 49 LYS CB C 13 33.8 0.2 . 1 . . . . 49 LYS CB . 16154 1 614 . 1 1 49 49 LYS CD C 13 29.9 0.2 . 1 . . . . 49 LYS CD . 16154 1 615 . 1 1 49 49 LYS CE C 13 42.6 0.2 . 1 . . . . 49 LYS CE . 16154 1 616 . 1 1 49 49 LYS CG C 13 25.5 0.2 . 1 . . . . 49 LYS CG . 16154 1 617 . 1 1 49 49 LYS N N 15 129.1 0.2 . 1 . . . . 49 LYS N . 16154 1 618 . 1 1 50 50 PHE H H 1 8.57 0.02 . 1 . . . . 50 PHE H . 16154 1 619 . 1 1 50 50 PHE HA H 1 5.82 0.02 . 1 . . . . 50 PHE HA . 16154 1 620 . 1 1 50 50 PHE HB2 H 1 2.42 0.02 . 2 . . . . 50 PHE HB2 . 16154 1 621 . 1 1 50 50 PHE HB3 H 1 2.56 0.02 . 2 . . . . 50 PHE HB3 . 16154 1 622 . 1 1 50 50 PHE HD1 H 1 6.59 0.02 . 3 . . . . 50 PHE HD1 . 16154 1 623 . 1 1 50 50 PHE HD2 H 1 6.59 0.02 . 3 . . . . 50 PHE HD2 . 16154 1 624 . 1 1 50 50 PHE HE1 H 1 6.73 0.02 . 3 . . . . 50 PHE HE1 . 16154 1 625 . 1 1 50 50 PHE HE2 H 1 6.73 0.02 . 3 . . . . 50 PHE HE2 . 16154 1 626 . 1 1 50 50 PHE HZ H 1 6.6 0.02 . 1 . . . . 50 PHE HZ . 16154 1 627 . 1 1 50 50 PHE C C 13 172.1 0.2 . 1 . . . . 50 PHE C . 16154 1 628 . 1 1 50 50 PHE CA C 13 54.8 0.2 . 1 . . . . 50 PHE CA . 16154 1 629 . 1 1 50 50 PHE CB C 13 43.9 0.2 . 1 . . . . 50 PHE CB . 16154 1 630 . 1 1 50 50 PHE CD1 C 13 131.7 0.02 . 3 . . . . 50 PHE CD1 . 16154 1 631 . 1 1 50 50 PHE CD2 C 13 131.7 0.02 . 3 . . . . 50 PHE CD2 . 16154 1 632 . 1 1 50 50 PHE CE1 C 13 129.8 0.02 . 3 . . . . 50 PHE CE1 . 16154 1 633 . 1 1 50 50 PHE CE2 C 13 129.8 0.02 . 3 . . . . 50 PHE CE2 . 16154 1 634 . 1 1 50 50 PHE CZ C 13 128.6 0.2 . 1 . . . . 50 PHE CZ . 16154 1 635 . 1 1 50 50 PHE N N 15 122.7 0.2 . 1 . . . . 50 PHE N . 16154 1 636 . 1 1 51 51 THR H H 1 8.19 0.02 . 1 . . . . 51 THR H . 16154 1 637 . 1 1 51 51 THR HA H 1 4.32 0.02 . 1 . . . . 51 THR HA . 16154 1 638 . 1 1 51 51 THR HB H 1 3.39 0.02 . 1 . . . . 51 THR HB . 16154 1 639 . 1 1 51 51 THR HG21 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16154 1 640 . 1 1 51 51 THR HG22 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16154 1 641 . 1 1 51 51 THR HG23 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16154 1 642 . 1 1 51 51 THR C C 13 172.9 0.2 . 1 . . . . 51 THR C . 16154 1 643 . 1 1 51 51 THR CA C 13 61.7 0.2 . 1 . . . . 51 THR CA . 16154 1 644 . 1 1 51 51 THR CB C 13 72.5 0.2 . 1 . . . . 51 THR CB . 16154 1 645 . 1 1 51 51 THR CG2 C 13 21.3 0.2 . 1 . . . . 51 THR CG2 . 16154 1 646 . 1 1 51 51 THR N N 15 114.4 0.2 . 1 . . . . 51 THR N . 16154 1 647 . 1 1 52 52 ILE H H 1 8.88 0.02 . 1 . . . . 52 ILE H . 16154 1 648 . 1 1 52 52 ILE HA H 1 4.65 0.02 . 1 . . . . 52 ILE HA . 16154 1 649 . 1 1 52 52 ILE HB H 1 1.76 0.02 . 1 . . . . 52 ILE HB . 16154 1 650 . 1 1 52 52 ILE HD11 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16154 1 651 . 1 1 52 52 ILE HD12 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16154 1 652 . 1 1 52 52 ILE HD13 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16154 1 653 . 1 1 52 52 ILE HG12 H 1 1.65 0.02 . 2 . . . . 52 ILE HG12 . 16154 1 654 . 1 1 52 52 ILE HG13 H 1 1.74 0.02 . 2 . . . . 52 ILE HG13 . 16154 1 655 . 1 1 52 52 ILE HG21 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16154 1 656 . 1 1 52 52 ILE HG22 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16154 1 657 . 1 1 52 52 ILE HG23 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16154 1 658 . 1 1 52 52 ILE C C 13 176.0 0.2 . 1 . . . . 52 ILE C . 16154 1 659 . 1 1 52 52 ILE CA C 13 60.5 0.2 . 1 . . . . 52 ILE CA . 16154 1 660 . 1 1 52 52 ILE CB C 13 38.9 0.2 . 1 . . . . 52 ILE CB . 16154 1 661 . 1 1 52 52 ILE CD1 C 13 13.2 0.2 . 1 . . . . 52 ILE CD1 . 16154 1 662 . 1 1 52 52 ILE CG1 C 13 26.7 0.2 . 1 . . . . 52 ILE CG1 . 16154 1 663 . 1 1 52 52 ILE CG2 C 13 16.8 0.2 . 1 . . . . 52 ILE CG2 . 16154 1 664 . 1 1 52 52 ILE N N 15 123.4 0.2 . 1 . . . . 52 ILE N . 16154 1 665 . 1 1 53 53 TRP H H 1 8.02 0.02 . 1 . . . . 53 TRP H . 16154 1 666 . 1 1 53 53 TRP HA H 1 4.74 0.02 . 1 . . . . 53 TRP HA . 16154 1 667 . 1 1 53 53 TRP HB2 H 1 3.14 0.02 . 2 . . . . 53 TRP HB2 . 16154 1 668 . 1 1 53 53 TRP HB3 H 1 3.69 0.02 . 2 . . . . 53 TRP HB3 . 16154 1 669 . 1 1 53 53 TRP HD1 H 1 7.19 0.02 . 1 . . . . 53 TRP HD1 . 16154 1 670 . 1 1 53 53 TRP HE1 H 1 10.1 0.02 . 1 . . . . 53 TRP HE1 . 16154 1 671 . 1 1 53 53 TRP HE3 H 1 7.69 0.02 . 1 . . . . 53 TRP HE3 . 16154 1 672 . 1 1 53 53 TRP HH2 H 1 7.05 0.02 . 1 . . . . 53 TRP HH2 . 16154 1 673 . 1 1 53 53 TRP HZ2 H 1 7.29 0.02 . 1 . . . . 53 TRP HZ2 . 16154 1 674 . 1 1 53 53 TRP HZ3 H 1 6.88 0.02 . 1 . . . . 53 TRP HZ3 . 16154 1 675 . 1 1 53 53 TRP C C 13 177.5 0.2 . 1 . . . . 53 TRP C . 16154 1 676 . 1 1 53 53 TRP CA C 13 57.7 0.2 . 1 . . . . 53 TRP CA . 16154 1 677 . 1 1 53 53 TRP CB C 13 30.4 0.2 . 1 . . . . 53 TRP CB . 16154 1 678 . 1 1 53 53 TRP CD1 C 13 127.4 0.2 . 1 . . . . 53 TRP CD1 . 16154 1 679 . 1 1 53 53 TRP CE3 C 13 121.1 0.2 . 1 . . . . 53 TRP CE3 . 16154 1 680 . 1 1 53 53 TRP CH2 C 13 124.6 0.2 . 1 . . . . 53 TRP CH2 . 16154 1 681 . 1 1 53 53 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 53 TRP CZ2 . 16154 1 682 . 1 1 53 53 TRP CZ3 C 13 122.4 0.2 . 1 . . . . 53 TRP CZ3 . 16154 1 683 . 1 1 53 53 TRP N N 15 129.5 0.2 . 1 . . . . 53 TRP N . 16154 1 684 . 1 1 53 53 TRP NE1 N 15 128.5 0.2 . 1 . . . . 53 TRP NE1 . 16154 1 685 . 1 1 54 54 LYS H H 1 8.98 0.02 . 1 . . . . 54 LYS H . 16154 1 686 . 1 1 54 54 LYS HA H 1 4.10 0.02 . 1 . . . . 54 LYS HA . 16154 1 687 . 1 1 54 54 LYS HB2 H 1 1.58 0.02 . 2 . . . . 54 LYS HB2 . 16154 1 688 . 1 1 54 54 LYS HB3 H 1 1.82 0.02 . 2 . . . . 54 LYS HB3 . 16154 1 689 . 1 1 54 54 LYS HD2 H 1 1.66 0.02 . 2 . . . . 54 LYS HD2 . 16154 1 690 . 1 1 54 54 LYS HD3 H 1 1.71 0.02 . 2 . . . . 54 LYS HD3 . 16154 1 691 . 1 1 54 54 LYS HE2 H 1 2.93 0.02 . 2 . . . . 54 LYS HE2 . 16154 1 692 . 1 1 54 54 LYS HE3 H 1 2.97 0.02 . 2 . . . . 54 LYS HE3 . 16154 1 693 . 1 1 54 54 LYS HG2 H 1 1.34 0.02 . 2 . . . . 54 LYS HG2 . 16154 1 694 . 1 1 54 54 LYS HG3 H 1 1.41 0.02 . 2 . . . . 54 LYS HG3 . 16154 1 695 . 1 1 54 54 LYS C C 13 177.7 0.2 . 1 . . . . 54 LYS C . 16154 1 696 . 1 1 54 54 LYS CA C 13 59.4 0.2 . 1 . . . . 54 LYS CA . 16154 1 697 . 1 1 54 54 LYS CB C 13 32.4 0.2 . 1 . . . . 54 LYS CB . 16154 1 698 . 1 1 54 54 LYS CD C 13 29.1 0.2 . 1 . . . . 54 LYS CD . 16154 1 699 . 1 1 54 54 LYS CE C 13 41.8 0.2 . 1 . . . . 54 LYS CE . 16154 1 700 . 1 1 54 54 LYS CG C 13 25.4 0.2 . 1 . . . . 54 LYS CG . 16154 1 701 . 1 1 54 54 LYS N N 15 125.5 0.2 . 1 . . . . 54 LYS N . 16154 1 702 . 1 1 55 55 ASN H H 1 8.6 0.02 . 1 . . . . 55 ASN H . 16154 1 703 . 1 1 55 55 ASN HA H 1 4.51 0.02 . 1 . . . . 55 ASN HA . 16154 1 704 . 1 1 55 55 ASN HB2 H 1 2.8 0.02 . 2 . . . . 55 ASN HB2 . 16154 1 705 . 1 1 55 55 ASN HB3 H 1 3.11 0.02 . 2 . . . . 55 ASN HB3 . 16154 1 706 . 1 1 55 55 ASN HD21 H 1 7.46 0.02 . 2 . . . . 55 ASN HD21 . 16154 1 707 . 1 1 55 55 ASN HD22 H 1 6.62 0.02 . 2 . . . . 55 ASN HD22 . 16154 1 708 . 1 1 55 55 ASN C C 13 175.3 0.2 . 1 . . . . 55 ASN C . 16154 1 709 . 1 1 55 55 ASN CA C 13 53.7 0.2 . 1 . . . . 55 ASN CA . 16154 1 710 . 1 1 55 55 ASN CB C 13 37.1 0.2 . 1 . . . . 55 ASN CB . 16154 1 711 . 1 1 55 55 ASN N N 15 115.4 0.2 . 1 . . . . 55 ASN N . 16154 1 712 . 1 1 55 55 ASN ND2 N 15 109.4 0.2 . 1 . . . . 55 ASN ND2 . 16154 1 713 . 1 1 56 56 ALA H H 1 7.63 0.02 . 1 . . . . 56 ALA H . 16154 1 714 . 1 1 56 56 ALA HA H 1 3.97 0.02 . 1 . . . . 56 ALA HA . 16154 1 715 . 1 1 56 56 ALA HB1 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16154 1 716 . 1 1 56 56 ALA HB2 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16154 1 717 . 1 1 56 56 ALA HB3 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16154 1 718 . 1 1 56 56 ALA C C 13 176.1 0.2 . 1 . . . . 56 ALA C . 16154 1 719 . 1 1 56 56 ALA CA C 13 53.5 0.2 . 1 . . . . 56 ALA CA . 16154 1 720 . 1 1 56 56 ALA CB C 13 18.4 0.2 . 1 . . . . 56 ALA CB . 16154 1 721 . 1 1 56 56 ALA N N 15 121.2 0.2 . 1 . . . . 56 ALA N . 16154 1 722 . 1 1 57 57 GLU H H 1 7.88 0.02 . 1 . . . . 57 GLU H . 16154 1 723 . 1 1 57 57 GLU HA H 1 3.94 0.02 . 1 . . . . 57 GLU HA . 16154 1 724 . 1 1 57 57 GLU HB2 H 1 2.08 0.02 . 2 . . . . 57 GLU HB2 . 16154 1 725 . 1 1 57 57 GLU HB3 H 1 2.08 0.02 . 2 . . . . 57 GLU HB3 . 16154 1 726 . 1 1 57 57 GLU HG2 H 1 2.16 0.02 . 2 . . . . 57 GLU HG2 . 16154 1 727 . 1 1 57 57 GLU HG3 H 1 2.16 0.02 . 2 . . . . 57 GLU HG3 . 16154 1 728 . 1 1 57 57 GLU C C 13 175.4 0.2 . 1 . . . . 57 GLU C . 16154 1 729 . 1 1 57 57 GLU CA C 13 56.7 0.2 . 1 . . . . 57 GLU CA . 16154 1 730 . 1 1 57 57 GLU CB C 13 27.3 0.2 . 1 . . . . 57 GLU CB . 16154 1 731 . 1 1 57 57 GLU CG C 13 36.3 0.2 . 1 . . . . 57 GLU CG . 16154 1 732 . 1 1 57 57 GLU N N 15 112.5 0.2 . 1 . . . . 57 GLU N . 16154 1 733 . 1 1 58 58 LEU H H 1 7.91 0.02 . 1 . . . . 58 LEU H . 16154 1 734 . 1 1 58 58 LEU HA H 1 4.74 0.02 . 1 . . . . 58 LEU HA . 16154 1 735 . 1 1 58 58 LEU HB2 H 1 1.33 0.02 . 2 . . . . 58 LEU HB2 . 16154 1 736 . 1 1 58 58 LEU HB3 H 1 1.33 0.02 . 2 . . . . 58 LEU HB3 . 16154 1 737 . 1 1 58 58 LEU HD11 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16154 1 738 . 1 1 58 58 LEU HD12 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16154 1 739 . 1 1 58 58 LEU HD13 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16154 1 740 . 1 1 58 58 LEU HD21 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16154 1 741 . 1 1 58 58 LEU HD22 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16154 1 742 . 1 1 58 58 LEU HD23 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16154 1 743 . 1 1 58 58 LEU HG H 1 1.5 0.02 . 1 . . . . 58 LEU HG . 16154 1 744 . 1 1 58 58 LEU C C 13 175.4 0.2 . 1 . . . . 58 LEU C . 16154 1 745 . 1 1 58 58 LEU CA C 13 52.3 0.2 . 1 . . . . 58 LEU CA . 16154 1 746 . 1 1 58 58 LEU CB C 13 42.9 0.2 . 1 . . . . 58 LEU CB . 16154 1 747 . 1 1 58 58 LEU CD1 C 13 26.9 0.02 . 2 . . . . 58 LEU CD1 . 16154 1 748 . 1 1 58 58 LEU CD2 C 13 23.3 0.02 . 2 . . . . 58 LEU CD2 . 16154 1 749 . 1 1 58 58 LEU CG C 13 26.3 0.2 . 1 . . . . 58 LEU CG . 16154 1 750 . 1 1 58 58 LEU N N 15 120 0.2 . 1 . . . . 58 LEU N . 16154 1 751 . 1 1 59 59 PRO HA H 1 4.38 0.02 . 1 . . . . 59 PRO HA . 16154 1 752 . 1 1 59 59 PRO HB2 H 1 1.73 0.02 . 2 . . . . 59 PRO HB2 . 16154 1 753 . 1 1 59 59 PRO HB3 H 1 2.25 0.02 . 2 . . . . 59 PRO HB3 . 16154 1 754 . 1 1 59 59 PRO HD2 H 1 3.43 0.02 . 2 . . . . 59 PRO HD2 . 16154 1 755 . 1 1 59 59 PRO HD3 H 1 3.78 0.02 . 2 . . . . 59 PRO HD3 . 16154 1 756 . 1 1 59 59 PRO HG2 H 1 1.88 0.02 . 2 . . . . 59 PRO HG2 . 16154 1 757 . 1 1 59 59 PRO HG3 H 1 1.96 0.02 . 2 . . . . 59 PRO HG3 . 16154 1 758 . 1 1 59 59 PRO CA C 13 62.2 0.2 . 1 . . . . 59 PRO CA . 16154 1 759 . 1 1 59 59 PRO CB C 13 32 0.2 . 1 . . . . 59 PRO CB . 16154 1 760 . 1 1 59 59 PRO CD C 13 50.6 0.2 . 1 . . . . 59 PRO CD . 16154 1 761 . 1 1 59 59 PRO CG C 13 27.3 0.2 . 1 . . . . 59 PRO CG . 16154 1 762 . 1 1 60 60 LEU H H 1 7.86 0.02 . 1 . . . . 60 LEU H . 16154 1 763 . 1 1 60 60 LEU HA H 1 3.92 0.02 . 1 . . . . 60 LEU HA . 16154 1 764 . 1 1 60 60 LEU HB2 H 1 1.29 0.02 . 2 . . . . 60 LEU HB2 . 16154 1 765 . 1 1 60 60 LEU HB3 H 1 1.54 0.02 . 2 . . . . 60 LEU HB3 . 16154 1 766 . 1 1 60 60 LEU HD11 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16154 1 767 . 1 1 60 60 LEU HD12 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16154 1 768 . 1 1 60 60 LEU HD13 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16154 1 769 . 1 1 60 60 LEU HD21 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16154 1 770 . 1 1 60 60 LEU HD22 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16154 1 771 . 1 1 60 60 LEU HD23 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16154 1 772 . 1 1 60 60 LEU HG H 1 1.67 0.02 . 1 . . . . 60 LEU HG . 16154 1 773 . 1 1 60 60 LEU C C 13 178.3 0.2 . 1 . . . . 60 LEU C . 16154 1 774 . 1 1 60 60 LEU CA C 13 55 0.2 . 1 . . . . 60 LEU CA . 16154 1 775 . 1 1 60 60 LEU CB C 13 41.8 0.2 . 1 . . . . 60 LEU CB . 16154 1 776 . 1 1 60 60 LEU CD1 C 13 25.5 0.02 . 2 . . . . 60 LEU CD1 . 16154 1 777 . 1 1 60 60 LEU CD2 C 13 22.7 0.02 . 2 . . . . 60 LEU CD2 . 16154 1 778 . 1 1 60 60 LEU CG C 13 27.1 0.2 . 1 . . . . 60 LEU CG . 16154 1 779 . 1 1 60 60 LEU N N 15 117.5 0.2 . 1 . . . . 60 LEU N . 16154 1 780 . 1 1 61 61 LEU H H 1 9.68 0.02 . 1 . . . . 61 LEU H . 16154 1 781 . 1 1 61 61 LEU HA H 1 4.04 0.02 . 1 . . . . 61 LEU HA . 16154 1 782 . 1 1 61 61 LEU HB2 H 1 0.96 0.02 . 2 . . . . 61 LEU HB2 . 16154 1 783 . 1 1 61 61 LEU HB3 H 1 1.3 0.02 . 2 . . . . 61 LEU HB3 . 16154 1 784 . 1 1 61 61 LEU HD11 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16154 1 785 . 1 1 61 61 LEU HD12 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16154 1 786 . 1 1 61 61 LEU HD13 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16154 1 787 . 1 1 61 61 LEU HD21 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16154 1 788 . 1 1 61 61 LEU HD22 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16154 1 789 . 1 1 61 61 LEU HD23 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16154 1 790 . 1 1 61 61 LEU HG H 1 1.27 0.02 . 1 . . . . 61 LEU HG . 16154 1 791 . 1 1 61 61 LEU C C 13 177.3 0.2 . 1 . . . . 61 LEU C . 16154 1 792 . 1 1 61 61 LEU CA C 13 54.1 0.2 . 1 . . . . 61 LEU CA . 16154 1 793 . 1 1 61 61 LEU CB C 13 41.3 0.2 . 1 . . . . 61 LEU CB . 16154 1 794 . 1 1 61 61 LEU CD1 C 13 20.8 0.02 . 2 . . . . 61 LEU CD1 . 16154 1 795 . 1 1 61 61 LEU CD2 C 13 25.0 0.02 . 2 . . . . 61 LEU CD2 . 16154 1 796 . 1 1 61 61 LEU CG C 13 26.1 0.2 . 1 . . . . 61 LEU CG . 16154 1 797 . 1 1 61 61 LEU N N 15 122.3 0.2 . 1 . . . . 61 LEU N . 16154 1 798 . 1 1 62 62 GLU H H 1 8.39 0.02 . 1 . . . . 62 GLU H . 16154 1 799 . 1 1 62 62 GLU HA H 1 4.43 0.02 . 1 . . . . 62 GLU HA . 16154 1 800 . 1 1 62 62 GLU HB2 H 1 1.81 0.02 . 2 . . . . 62 GLU HB2 . 16154 1 801 . 1 1 62 62 GLU HB3 H 1 1.99 0.02 . 2 . . . . 62 GLU HB3 . 16154 1 802 . 1 1 62 62 GLU HG2 H 1 2.16 0.02 . 2 . . . . 62 GLU HG2 . 16154 1 803 . 1 1 62 62 GLU HG3 H 1 2.16 0.02 . 2 . . . . 62 GLU HG3 . 16154 1 804 . 1 1 62 62 GLU C C 13 175.6 0.2 . 1 . . . . 62 GLU C . 16154 1 805 . 1 1 62 62 GLU CA C 13 54.8 0.2 . 1 . . . . 62 GLU CA . 16154 1 806 . 1 1 62 62 GLU CB C 13 32.2 0.2 . 1 . . . . 62 GLU CB . 16154 1 807 . 1 1 62 62 GLU CG C 13 36.3 0.2 . 1 . . . . 62 GLU CG . 16154 1 808 . 1 1 62 62 GLU N N 15 120.5 0.2 . 1 . . . . 62 GLU N . 16154 1 809 . 1 1 63 63 GLN H H 1 8.78 0.02 . 1 . . . . 63 GLN H . 16154 1 810 . 1 1 63 63 GLN HA H 1 3.7 0.02 . 1 . . . . 63 GLN HA . 16154 1 811 . 1 1 63 63 GLN HB2 H 1 2 0.02 . 2 . . . . 63 GLN HB2 . 16154 1 812 . 1 1 63 63 GLN HB3 H 1 2 0.02 . 2 . . . . 63 GLN HB3 . 16154 1 813 . 1 1 63 63 GLN HE21 H 1 7.42 0.02 . 2 . . . . 63 GLN HE21 . 16154 1 814 . 1 1 63 63 GLN HE22 H 1 6.88 0.02 . 2 . . . . 63 GLN HE22 . 16154 1 815 . 1 1 63 63 GLN HG2 H 1 2.06 0.02 . 2 . . . . 63 GLN HG2 . 16154 1 816 . 1 1 63 63 GLN HG3 H 1 2.33 0.02 . 2 . . . . 63 GLN HG3 . 16154 1 817 . 1 1 63 63 GLN C C 13 176.6 0.2 . 1 . . . . 63 GLN C . 16154 1 818 . 1 1 63 63 GLN CA C 13 58.1 0.2 . 1 . . . . 63 GLN CA . 16154 1 819 . 1 1 63 63 GLN CB C 13 28.3 0.2 . 1 . . . . 63 GLN CB . 16154 1 820 . 1 1 63 63 GLN CG C 13 34 0.2 . 1 . . . . 63 GLN CG . 16154 1 821 . 1 1 63 63 GLN N N 15 123.3 0.2 . 1 . . . . 63 GLN N . 16154 1 822 . 1 1 63 63 GLN NE2 N 15 111.4 0.2 . 1 . . . . 63 GLN NE2 . 16154 1 823 . 1 1 64 64 GLY H H 1 9.14 0.02 . 1 . . . . 64 GLY H . 16154 1 824 . 1 1 64 64 GLY HA2 H 1 3.58 0.02 . 2 . . . . 64 GLY HA2 . 16154 1 825 . 1 1 64 64 GLY HA3 H 1 4.39 0.02 . 2 . . . . 64 GLY HA3 . 16154 1 826 . 1 1 64 64 GLY C C 13 173.9 0.2 . 1 . . . . 64 GLY C . 16154 1 827 . 1 1 64 64 GLY CA C 13 45.3 0.2 . 1 . . . . 64 GLY CA . 16154 1 828 . 1 1 64 64 GLY N N 15 115.1 0.2 . 1 . . . . 64 GLY N . 16154 1 829 . 1 1 65 65 GLU H H 1 7.59 0.02 . 1 . . . . 65 GLU H . 16154 1 830 . 1 1 65 65 GLU HA H 1 4.49 0.02 . 1 . . . . 65 GLU HA . 16154 1 831 . 1 1 65 65 GLU HB2 H 1 1.76 0.02 . 2 . . . . 65 GLU HB2 . 16154 1 832 . 1 1 65 65 GLU HB3 H 1 2.22 0.02 . 2 . . . . 65 GLU HB3 . 16154 1 833 . 1 1 65 65 GLU HG2 H 1 1.99 0.02 . 2 . . . . 65 GLU HG2 . 16154 1 834 . 1 1 65 65 GLU HG3 H 1 2.13 0.02 . 2 . . . . 65 GLU HG3 . 16154 1 835 . 1 1 65 65 GLU C C 13 174.2 0.2 . 1 . . . . 65 GLU C . 16154 1 836 . 1 1 65 65 GLU CA C 13 54.9 0.2 . 1 . . . . 65 GLU CA . 16154 1 837 . 1 1 65 65 GLU CB C 13 30.5 0.2 . 1 . . . . 65 GLU CB . 16154 1 838 . 1 1 65 65 GLU CG C 13 36.4 0.2 . 1 . . . . 65 GLU CG . 16154 1 839 . 1 1 65 65 GLU N N 15 120.3 0.2 . 1 . . . . 65 GLU N . 16154 1 840 . 1 1 66 66 SER H H 1 8.7 0.02 . 1 . . . . 66 SER H . 16154 1 841 . 1 1 66 66 SER HA H 1 5.33 0.02 . 1 . . . . 66 SER HA . 16154 1 842 . 1 1 66 66 SER HB2 H 1 3.48 0.02 . 2 . . . . 66 SER HB2 . 16154 1 843 . 1 1 66 66 SER HB3 H 1 3.57 0.02 . 2 . . . . 66 SER HB3 . 16154 1 844 . 1 1 66 66 SER C C 13 174.1 0.2 . 1 . . . . 66 SER C . 16154 1 845 . 1 1 66 66 SER CA C 13 58.3 0.2 . 1 . . . . 66 SER CA . 16154 1 846 . 1 1 66 66 SER CB C 13 65.5 0.2 . 1 . . . . 66 SER CB . 16154 1 847 . 1 1 66 66 SER N N 15 116.5 0.2 . 1 . . . . 66 SER N . 16154 1 848 . 1 1 67 67 TYR H H 1 9.09 0.02 . 1 . . . . 67 TYR H . 16154 1 849 . 1 1 67 67 TYR HA H 1 5.11 0.02 . 1 . . . . 67 TYR HA . 16154 1 850 . 1 1 67 67 TYR HB2 H 1 2.18 0.02 . 2 . . . . 67 TYR HB2 . 16154 1 851 . 1 1 67 67 TYR HB3 H 1 2.72 0.02 . 2 . . . . 67 TYR HB3 . 16154 1 852 . 1 1 67 67 TYR HD1 H 1 6.69 0.02 . 3 . . . . 67 TYR HD1 . 16154 1 853 . 1 1 67 67 TYR HD2 H 1 6.69 0.02 . 3 . . . . 67 TYR HD2 . 16154 1 854 . 1 1 67 67 TYR HE1 H 1 6.7 0.02 . 3 . . . . 67 TYR HE1 . 16154 1 855 . 1 1 67 67 TYR HE2 H 1 6.7 0.02 . 3 . . . . 67 TYR HE2 . 16154 1 856 . 1 1 67 67 TYR C C 13 173.9 0.2 . 1 . . . . 67 TYR C . 16154 1 857 . 1 1 67 67 TYR CA C 13 57.5 0.2 . 1 . . . . 67 TYR CA . 16154 1 858 . 1 1 67 67 TYR CB C 13 43.9 0.2 . 1 . . . . 67 TYR CB . 16154 1 859 . 1 1 67 67 TYR CD1 C 13 133.4 0.02 . 3 . . . . 67 TYR CD1 . 16154 1 860 . 1 1 67 67 TYR CD2 C 13 133.4 0.02 . 3 . . . . 67 TYR CD2 . 16154 1 861 . 1 1 67 67 TYR CE1 C 13 118.1 0.02 . 3 . . . . 67 TYR CE1 . 16154 1 862 . 1 1 67 67 TYR CE2 C 13 118.1 0.02 . 3 . . . . 67 TYR CE2 . 16154 1 863 . 1 1 67 67 TYR N N 15 119 0.2 . 1 . . . . 67 TYR N . 16154 1 864 . 1 1 68 68 LEU H H 1 9.23 0.02 . 1 . . . . 68 LEU H . 16154 1 865 . 1 1 68 68 LEU HA H 1 5 0.02 . 1 . . . . 68 LEU HA . 16154 1 866 . 1 1 68 68 LEU HB2 H 1 1.35 0.02 . 2 . . . . 68 LEU HB2 . 16154 1 867 . 1 1 68 68 LEU HB3 H 1 1.85 0.02 . 2 . . . . 68 LEU HB3 . 16154 1 868 . 1 1 68 68 LEU HD11 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16154 1 869 . 1 1 68 68 LEU HD12 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16154 1 870 . 1 1 68 68 LEU HD13 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16154 1 871 . 1 1 68 68 LEU HD21 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16154 1 872 . 1 1 68 68 LEU HD22 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16154 1 873 . 1 1 68 68 LEU HD23 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16154 1 874 . 1 1 68 68 LEU HG H 1 1.33 0.02 . 1 . . . . 68 LEU HG . 16154 1 875 . 1 1 68 68 LEU C C 13 175.3 0.2 . 1 . . . . 68 LEU C . 16154 1 876 . 1 1 68 68 LEU CA C 13 54.3 0.2 . 1 . . . . 68 LEU CA . 16154 1 877 . 1 1 68 68 LEU CB C 13 43.8 0.2 . 1 . . . . 68 LEU CB . 16154 1 878 . 1 1 68 68 LEU CD1 C 13 23.8 0.02 . 2 . . . . 68 LEU CD1 . 16154 1 879 . 1 1 68 68 LEU CD2 C 13 26 0.02 . 2 . . . . 68 LEU CD2 . 16154 1 880 . 1 1 68 68 LEU CG C 13 28.3 0.2 . 1 . . . . 68 LEU CG . 16154 1 881 . 1 1 68 68 LEU N N 15 121.8 0.2 . 1 . . . . 68 LEU N . 16154 1 882 . 1 1 69 69 LEU H H 1 9.46 0.02 . 1 . . . . 69 LEU H . 16154 1 883 . 1 1 69 69 LEU HA H 1 5.01 0.02 . 1 . . . . 69 LEU HA . 16154 1 884 . 1 1 69 69 LEU HB2 H 1 1.16 0.02 . 2 . . . . 69 LEU HB2 . 16154 1 885 . 1 1 69 69 LEU HB3 H 1 1.66 0.02 . 2 . . . . 69 LEU HB3 . 16154 1 886 . 1 1 69 69 LEU HD11 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16154 1 887 . 1 1 69 69 LEU HD12 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16154 1 888 . 1 1 69 69 LEU HD13 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16154 1 889 . 1 1 69 69 LEU HD21 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16154 1 890 . 1 1 69 69 LEU HD22 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16154 1 891 . 1 1 69 69 LEU HD23 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16154 1 892 . 1 1 69 69 LEU HG H 1 1.4 0.02 . 1 . . . . 69 LEU HG . 16154 1 893 . 1 1 69 69 LEU C C 13 175.0 0.2 . 1 . . . . 69 LEU C . 16154 1 894 . 1 1 69 69 LEU CA C 13 54.1 0.2 . 1 . . . . 69 LEU CA . 16154 1 895 . 1 1 69 69 LEU CB C 13 42.3 0.2 . 1 . . . . 69 LEU CB . 16154 1 896 . 1 1 69 69 LEU CD1 C 13 26.8 0.02 . 2 . . . . 69 LEU CD1 . 16154 1 897 . 1 1 69 69 LEU CD2 C 13 26.5 0.02 . 2 . . . . 69 LEU CD2 . 16154 1 898 . 1 1 69 69 LEU CG C 13 27.9 0.2 . 1 . . . . 69 LEU CG . 16154 1 899 . 1 1 69 69 LEU N N 15 128.5 0.2 . 1 . . . . 69 LEU N . 16154 1 900 . 1 1 70 70 ARG H H 1 8.91 0.02 . 1 . . . . 70 ARG H . 16154 1 901 . 1 1 70 70 ARG HA H 1 4.85 0.02 . 1 . . . . 70 ARG HA . 16154 1 902 . 1 1 70 70 ARG HB2 H 1 1.8 0.02 . 2 . . . . 70 ARG HB2 . 16154 1 903 . 1 1 70 70 ARG HB3 H 1 1.8 0.02 . 2 . . . . 70 ARG HB3 . 16154 1 904 . 1 1 70 70 ARG HD2 H 1 3.00 0.02 . 2 . . . . 70 ARG HD2 . 16154 1 905 . 1 1 70 70 ARG HD3 H 1 3.1 0.02 . 2 . . . . 70 ARG HD3 . 16154 1 906 . 1 1 70 70 ARG HE H 1 7.32 0.02 . 1 . . . . 70 ARG HE . 16154 1 907 . 1 1 70 70 ARG HG2 H 1 1.23 0.02 . 2 . . . . 70 ARG HG2 . 16154 1 908 . 1 1 70 70 ARG HG3 H 1 1.54 0.02 . 2 . . . . 70 ARG HG3 . 16154 1 909 . 1 1 70 70 ARG C C 13 176.4 0.2 . 1 . . . . 70 ARG C . 16154 1 910 . 1 1 70 70 ARG CA C 13 54.9 0.2 . 1 . . . . 70 ARG CA . 16154 1 911 . 1 1 70 70 ARG CB C 13 32.3 0.2 . 1 . . . . 70 ARG CB . 16154 1 912 . 1 1 70 70 ARG CD C 13 43.4 0.2 . 1 . . . . 70 ARG CD . 16154 1 913 . 1 1 70 70 ARG CG C 13 29 0.2 . 1 . . . . 70 ARG CG . 16154 1 914 . 1 1 70 70 ARG N N 15 121.5 0.2 . 1 . . . . 70 ARG N . 16154 1 915 . 1 1 70 70 ARG NE N 15 84.7 0.2 . 1 . . . . 70 ARG NE . 16154 1 916 . 1 1 71 71 SER H H 1 8.8 0.02 . 1 . . . . 71 SER H . 16154 1 917 . 1 1 71 71 SER HA H 1 3.87 0.02 . 1 . . . . 71 SER HA . 16154 1 918 . 1 1 71 71 SER HB2 H 1 4.06 0.02 . 2 . . . . 71 SER HB2 . 16154 1 919 . 1 1 71 71 SER HB3 H 1 4.1 0.02 . 2 . . . . 71 SER HB3 . 16154 1 920 . 1 1 71 71 SER C C 13 175.8 0.2 . 1 . . . . 71 SER C . 16154 1 921 . 1 1 71 71 SER CA C 13 58.6 0.2 . 1 . . . . 71 SER CA . 16154 1 922 . 1 1 71 71 SER CB C 13 62 0.2 . 1 . . . . 71 SER CB . 16154 1 923 . 1 1 71 71 SER N N 15 114.4 0.2 . 1 . . . . 71 SER N . 16154 1 924 . 1 1 72 72 VAL H H 1 8.75 0.02 . 1 . . . . 72 VAL H . 16154 1 925 . 1 1 72 72 VAL HA H 1 4.61 0.02 . 1 . . . . 72 VAL HA . 16154 1 926 . 1 1 72 72 VAL HB H 1 2 0.02 . 1 . . . . 72 VAL HB . 16154 1 927 . 1 1 72 72 VAL HG11 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16154 1 928 . 1 1 72 72 VAL HG12 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16154 1 929 . 1 1 72 72 VAL HG13 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16154 1 930 . 1 1 72 72 VAL HG21 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16154 1 931 . 1 1 72 72 VAL HG22 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16154 1 932 . 1 1 72 72 VAL HG23 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16154 1 933 . 1 1 72 72 VAL C C 13 173.3 0.2 . 1 . . . . 72 VAL C . 16154 1 934 . 1 1 72 72 VAL CA C 13 59.3 0.2 . 1 . . . . 72 VAL CA . 16154 1 935 . 1 1 72 72 VAL CB C 13 31.9 0.2 . 1 . . . . 72 VAL CB . 16154 1 936 . 1 1 72 72 VAL CG1 C 13 23.8 0.02 . 2 . . . . 72 VAL CG1 . 16154 1 937 . 1 1 72 72 VAL CG2 C 13 18.2 0.02 . 2 . . . . 72 VAL CG2 . 16154 1 938 . 1 1 72 72 VAL N N 15 115.5 0.2 . 1 . . . . 72 VAL N . 16154 1 939 . 1 1 73 73 VAL H H 1 7.94 0.02 . 1 . . . . 73 VAL H . 16154 1 940 . 1 1 73 73 VAL HA H 1 4.76 0.02 . 1 . . . . 73 VAL HA . 16154 1 941 . 1 1 73 73 VAL HB H 1 0.42 0.02 . 1 . . . . 73 VAL HB . 16154 1 942 . 1 1 73 73 VAL HG11 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16154 1 943 . 1 1 73 73 VAL HG12 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16154 1 944 . 1 1 73 73 VAL HG13 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16154 1 945 . 1 1 73 73 VAL HG21 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16154 1 946 . 1 1 73 73 VAL HG22 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16154 1 947 . 1 1 73 73 VAL HG23 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16154 1 948 . 1 1 73 73 VAL C C 13 174.3 0.2 . 1 . . . . 73 VAL C . 16154 1 949 . 1 1 73 73 VAL CA C 13 58.8 0.2 . 1 . . . . 73 VAL CA . 16154 1 950 . 1 1 73 73 VAL CB C 13 34.5 0.2 . 1 . . . . 73 VAL CB . 16154 1 951 . 1 1 73 73 VAL CG1 C 13 20.1 0.02 . 2 . . . . 73 VAL CG1 . 16154 1 952 . 1 1 73 73 VAL CG2 C 13 20.9 0.02 . 2 . . . . 73 VAL CG2 . 16154 1 953 . 1 1 73 73 VAL N N 15 118.2 0.2 . 1 . . . . 73 VAL N . 16154 1 954 . 1 1 74 74 VAL H H 1 8.43 0.02 . 1 . . . . 74 VAL H . 16154 1 955 . 1 1 74 74 VAL HA H 1 4.56 0.02 . 1 . . . . 74 VAL HA . 16154 1 956 . 1 1 74 74 VAL HB H 1 2.11 0.02 . 1 . . . . 74 VAL HB . 16154 1 957 . 1 1 74 74 VAL HG11 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16154 1 958 . 1 1 74 74 VAL HG12 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16154 1 959 . 1 1 74 74 VAL HG13 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16154 1 960 . 1 1 74 74 VAL HG21 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16154 1 961 . 1 1 74 74 VAL HG22 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16154 1 962 . 1 1 74 74 VAL HG23 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16154 1 963 . 1 1 74 74 VAL C C 13 177.3 0.2 . 1 . . . . 74 VAL C . 16154 1 964 . 1 1 74 74 VAL CA C 13 62.1 0.2 . 1 . . . . 74 VAL CA . 16154 1 965 . 1 1 74 74 VAL CB C 13 32.7 0.2 . 1 . . . . 74 VAL CB . 16154 1 966 . 1 1 74 74 VAL CG1 C 13 22.8 0.02 . 2 . . . . 74 VAL CG1 . 16154 1 967 . 1 1 74 74 VAL CG2 C 13 21.5 0.02 . 2 . . . . 74 VAL CG2 . 16154 1 968 . 1 1 74 74 VAL N N 15 127.8 0.2 . 1 . . . . 74 VAL N . 16154 1 969 . 1 1 75 75 GLY H H 1 9.04 0.02 . 1 . . . . 75 GLY H . 16154 1 970 . 1 1 75 75 GLY HA2 H 1 3.75 0.02 . 2 . . . . 75 GLY HA2 . 16154 1 971 . 1 1 75 75 GLY HA3 H 1 5.12 0.02 . 2 . . . . 75 GLY HA3 . 16154 1 972 . 1 1 75 75 GLY C C 13 172.5 0.2 . 1 . . . . 75 GLY C . 16154 1 973 . 1 1 75 75 GLY CA C 13 43.7 0.2 . 1 . . . . 75 GLY CA . 16154 1 974 . 1 1 75 75 GLY N N 15 116 0.2 . 1 . . . . 75 GLY N . 16154 1 975 . 1 1 76 76 GLU H H 1 8.38 0.02 . 1 . . . . 76 GLU H . 16154 1 976 . 1 1 76 76 GLU HA H 1 4.69 0.02 . 1 . . . . 76 GLU HA . 16154 1 977 . 1 1 76 76 GLU HB2 H 1 1.83 0.02 . 2 . . . . 76 GLU HB2 . 16154 1 978 . 1 1 76 76 GLU HB3 H 1 1.93 0.02 . 2 . . . . 76 GLU HB3 . 16154 1 979 . 1 1 76 76 GLU HG2 H 1 2.05 0.02 . 2 . . . . 76 GLU HG2 . 16154 1 980 . 1 1 76 76 GLU HG3 H 1 2.05 0.02 . 2 . . . . 76 GLU HG3 . 16154 1 981 . 1 1 76 76 GLU C C 13 176.0 0.2 . 1 . . . . 76 GLU C . 16154 1 982 . 1 1 76 76 GLU CA C 13 56.1 0.2 . 1 . . . . 76 GLU CA . 16154 1 983 . 1 1 76 76 GLU CB C 13 32 0.2 . 1 . . . . 76 GLU CB . 16154 1 984 . 1 1 76 76 GLU CG C 13 36 0.2 . 1 . . . . 76 GLU CG . 16154 1 985 . 1 1 76 76 GLU N N 15 120.2 0.2 . 1 . . . . 76 GLU N . 16154 1 986 . 1 1 77 77 TYR H H 1 8.43 0.02 . 1 . . . . 77 TYR H . 16154 1 987 . 1 1 77 77 TYR HA H 1 4.57 0.02 . 1 . . . . 77 TYR HA . 16154 1 988 . 1 1 77 77 TYR HB2 H 1 2.59 0.02 . 2 . . . . 77 TYR HB2 . 16154 1 989 . 1 1 77 77 TYR HB3 H 1 2.7 0.02 . 2 . . . . 77 TYR HB3 . 16154 1 990 . 1 1 77 77 TYR HD1 H 1 7 0.02 . 3 . . . . 77 TYR HD1 . 16154 1 991 . 1 1 77 77 TYR HD2 H 1 7 0.02 . 3 . . . . 77 TYR HD2 . 16154 1 992 . 1 1 77 77 TYR HE1 H 1 6.8 0.02 . 3 . . . . 77 TYR HE1 . 16154 1 993 . 1 1 77 77 TYR HE2 H 1 6.8 0.02 . 3 . . . . 77 TYR HE2 . 16154 1 994 . 1 1 77 77 TYR C C 13 174.2 0.2 . 1 . . . . 77 TYR C . 16154 1 995 . 1 1 77 77 TYR CA C 13 56.5 0.2 . 1 . . . . 77 TYR CA . 16154 1 996 . 1 1 77 77 TYR CB C 13 39.8 0.2 . 1 . . . . 77 TYR CB . 16154 1 997 . 1 1 77 77 TYR CD1 C 13 132.9 0.02 . 3 . . . . 77 TYR CD1 . 16154 1 998 . 1 1 77 77 TYR CD2 C 13 132.9 0.02 . 3 . . . . 77 TYR CD2 . 16154 1 999 . 1 1 77 77 TYR CE1 C 13 118.3 0.02 . 3 . . . . 77 TYR CE1 . 16154 1 1000 . 1 1 77 77 TYR CE2 C 13 118.3 0.02 . 3 . . . . 77 TYR CE2 . 16154 1 1001 . 1 1 77 77 TYR N N 15 124.4 0.2 . 1 . . . . 77 TYR N . 16154 1 1002 . 1 1 78 78 ASN H H 1 9.1 0.02 . 1 . . . . 78 ASN H . 16154 1 1003 . 1 1 78 78 ASN HA H 1 4 0.02 . 1 . . . . 78 ASN HA . 16154 1 1004 . 1 1 78 78 ASN HB2 H 1 2.39 0.02 . 2 . . . . 78 ASN HB2 . 16154 1 1005 . 1 1 78 78 ASN HB3 H 1 2.75 0.02 . 2 . . . . 78 ASN HB3 . 16154 1 1006 . 1 1 78 78 ASN HD21 H 1 7.1 0.02 . 2 . . . . 78 ASN HD21 . 16154 1 1007 . 1 1 78 78 ASN HD22 H 1 6.67 0.02 . 2 . . . . 78 ASN HD22 . 16154 1 1008 . 1 1 78 78 ASN C C 13 177.3 0.2 . 1 . . . . 78 ASN C . 16154 1 1009 . 1 1 78 78 ASN CA C 13 54.7 0.2 . 1 . . . . 78 ASN CA . 16154 1 1010 . 1 1 78 78 ASN CB C 13 36.6 0.2 . 1 . . . . 78 ASN CB . 16154 1 1011 . 1 1 78 78 ASN N N 15 125.8 0.2 . 1 . . . . 78 ASN N . 16154 1 1012 . 1 1 78 78 ASN ND2 N 15 112 0.2 . 1 . . . . 78 ASN ND2 . 16154 1 1013 . 1 1 79 79 ASP H H 1 8.64 0.02 . 1 . . . . 79 ASP H . 16154 1 1014 . 1 1 79 79 ASP HA H 1 4.24 0.02 . 1 . . . . 79 ASP HA . 16154 1 1015 . 1 1 79 79 ASP HB2 H 1 2.69 0.02 . 2 . . . . 79 ASP HB2 . 16154 1 1016 . 1 1 79 79 ASP HB3 H 1 2.79 0.02 . 2 . . . . 79 ASP HB3 . 16154 1 1017 . 1 1 79 79 ASP C C 13 174.6 0.2 . 1 . . . . 79 ASP C . 16154 1 1018 . 1 1 79 79 ASP CA C 13 54.9 0.2 . 1 . . . . 79 ASP CA . 16154 1 1019 . 1 1 79 79 ASP CB C 13 39.7 0.2 . 1 . . . . 79 ASP CB . 16154 1 1020 . 1 1 79 79 ASP N N 15 115.7 0.2 . 1 . . . . 79 ASP N . 16154 1 1021 . 1 1 80 80 ARG H H 1 7.88 0.02 . 1 . . . . 80 ARG H . 16154 1 1022 . 1 1 80 80 ARG HA H 1 4.37 0.02 . 1 . . . . 80 ARG HA . 16154 1 1023 . 1 1 80 80 ARG HB2 H 1 1.81 0.02 . 2 . . . . 80 ARG HB2 . 16154 1 1024 . 1 1 80 80 ARG HB3 H 1 1.93 0.02 . 2 . . . . 80 ARG HB3 . 16154 1 1025 . 1 1 80 80 ARG HD2 H 1 3.2 0.02 . 2 . . . . 80 ARG HD2 . 16154 1 1026 . 1 1 80 80 ARG HD3 H 1 3.2 0.02 . 2 . . . . 80 ARG HD3 . 16154 1 1027 . 1 1 80 80 ARG HE H 1 7.28 0.02 . 1 . . . . 80 ARG HE . 16154 1 1028 . 1 1 80 80 ARG HG2 H 1 1.66 0.02 . 2 . . . . 80 ARG HG2 . 16154 1 1029 . 1 1 80 80 ARG HG3 H 1 1.66 0.02 . 2 . . . . 80 ARG HG3 . 16154 1 1030 . 1 1 80 80 ARG C C 13 175.0 0.2 . 1 . . . . 80 ARG C . 16154 1 1031 . 1 1 80 80 ARG CA C 13 54.2 0.2 . 1 . . . . 80 ARG CA . 16154 1 1032 . 1 1 80 80 ARG CB C 13 31.8 0.2 . 1 . . . . 80 ARG CB . 16154 1 1033 . 1 1 80 80 ARG CD C 13 43.4 0.2 . 1 . . . . 80 ARG CD . 16154 1 1034 . 1 1 80 80 ARG CG C 13 26.3 0.2 . 1 . . . . 80 ARG CG . 16154 1 1035 . 1 1 80 80 ARG N N 15 119.7 0.2 . 1 . . . . 80 ARG N . 16154 1 1036 . 1 1 80 80 ARG NE N 15 85.4 0.2 . 1 . . . . 80 ARG NE . 16154 1 1037 . 1 1 81 81 PHE H H 1 8.41 0.02 . 1 . . . . 81 PHE H . 16154 1 1038 . 1 1 81 81 PHE HA H 1 5.42 0.02 . 1 . . . . 81 PHE HA . 16154 1 1039 . 1 1 81 81 PHE HB2 H 1 2.77 0.02 . 2 . . . . 81 PHE HB2 . 16154 1 1040 . 1 1 81 81 PHE HB3 H 1 3.06 0.02 . 2 . . . . 81 PHE HB3 . 16154 1 1041 . 1 1 81 81 PHE HD1 H 1 7.06 0.02 . 3 . . . . 81 PHE HD1 . 16154 1 1042 . 1 1 81 81 PHE HD2 H 1 7.06 0.02 . 3 . . . . 81 PHE HD2 . 16154 1 1043 . 1 1 81 81 PHE HE1 H 1 7.09 0.02 . 3 . . . . 81 PHE HE1 . 16154 1 1044 . 1 1 81 81 PHE HE2 H 1 7.09 0.02 . 3 . . . . 81 PHE HE2 . 16154 1 1045 . 1 1 81 81 PHE HZ H 1 7.05 0.02 . 1 . . . . 81 PHE HZ . 16154 1 1046 . 1 1 81 81 PHE C C 13 174.4 0.2 . 1 . . . . 81 PHE C . 16154 1 1047 . 1 1 81 81 PHE CA C 13 57.2 0.2 . 1 . . . . 81 PHE CA . 16154 1 1048 . 1 1 81 81 PHE CB C 13 42 0.2 . 1 . . . . 81 PHE CB . 16154 1 1049 . 1 1 81 81 PHE CD1 C 13 131.1 0.02 . 3 . . . . 81 PHE CD1 . 16154 1 1050 . 1 1 81 81 PHE CD2 C 13 131.1 0.02 . 3 . . . . 81 PHE CD2 . 16154 1 1051 . 1 1 81 81 PHE CE1 C 13 130.8 0.02 . 3 . . . . 81 PHE CE1 . 16154 1 1052 . 1 1 81 81 PHE CE2 C 13 130.8 0.02 . 3 . . . . 81 PHE CE2 . 16154 1 1053 . 1 1 81 81 PHE CZ C 13 129.8 0.2 . 1 . . . . 81 PHE CZ . 16154 1 1054 . 1 1 81 81 PHE N N 15 120.7 0.2 . 1 . . . . 81 PHE N . 16154 1 1055 . 1 1 82 82 GLN H H 1 8.95 0.02 . 1 . . . . 82 GLN H . 16154 1 1056 . 1 1 82 82 GLN HA H 1 5.11 0.02 . 1 . . . . 82 GLN HA . 16154 1 1057 . 1 1 82 82 GLN HB2 H 1 1.76 0.02 . 2 . . . . 82 GLN HB2 . 16154 1 1058 . 1 1 82 82 GLN HB3 H 1 1.76 0.02 . 2 . . . . 82 GLN HB3 . 16154 1 1059 . 1 1 82 82 GLN HE21 H 1 7.55 0.02 . 2 . . . . 82 GLN HE21 . 16154 1 1060 . 1 1 82 82 GLN HE22 H 1 6.82 0.02 . 2 . . . . 82 GLN HE22 . 16154 1 1061 . 1 1 82 82 GLN HG2 H 1 2.08 0.02 . 2 . . . . 82 GLN HG2 . 16154 1 1062 . 1 1 82 82 GLN HG3 H 1 2.08 0.02 . 2 . . . . 82 GLN HG3 . 16154 1 1063 . 1 1 82 82 GLN C C 13 172.4 0.2 . 1 . . . . 82 GLN C . 16154 1 1064 . 1 1 82 82 GLN CA C 13 53.5 0.2 . 1 . . . . 82 GLN CA . 16154 1 1065 . 1 1 82 82 GLN CB C 13 31.9 0.2 . 1 . . . . 82 GLN CB . 16154 1 1066 . 1 1 82 82 GLN CG C 13 31.1 0.2 . 1 . . . . 82 GLN CG . 16154 1 1067 . 1 1 82 82 GLN N N 15 115 0.2 . 1 . . . . 82 GLN N . 16154 1 1068 . 1 1 82 82 GLN NE2 N 15 111.5 0.2 . 1 . . . . 82 GLN NE2 . 16154 1 1069 . 1 1 83 83 VAL H H 1 9.09 0.02 . 1 . . . . 83 VAL H . 16154 1 1070 . 1 1 83 83 VAL HA H 1 4.38 0.02 . 1 . . . . 83 VAL HA . 16154 1 1071 . 1 1 83 83 VAL HB H 1 1.83 0.02 . 1 . . . . 83 VAL HB . 16154 1 1072 . 1 1 83 83 VAL HG11 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16154 1 1073 . 1 1 83 83 VAL HG12 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16154 1 1074 . 1 1 83 83 VAL HG13 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16154 1 1075 . 1 1 83 83 VAL HG21 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16154 1 1076 . 1 1 83 83 VAL HG22 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16154 1 1077 . 1 1 83 83 VAL HG23 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16154 1 1078 . 1 1 83 83 VAL C C 13 174.6 0.2 . 1 . . . . 83 VAL C . 16154 1 1079 . 1 1 83 83 VAL CA C 13 61.6 0.2 . 1 . . . . 83 VAL CA . 16154 1 1080 . 1 1 83 83 VAL CB C 13 33.5 0.2 . 1 . . . . 83 VAL CB . 16154 1 1081 . 1 1 83 83 VAL CG1 C 13 21.6 0.02 . 2 . . . . 83 VAL CG1 . 16154 1 1082 . 1 1 83 83 VAL CG2 C 13 21.6 0.02 . 2 . . . . 83 VAL CG2 . 16154 1 1083 . 1 1 83 83 VAL N N 15 118.9 0.2 . 1 . . . . 83 VAL N . 16154 1 1084 . 1 1 84 84 GLN H H 1 9.28 0.02 . 1 . . . . 84 GLN H . 16154 1 1085 . 1 1 84 84 GLN HA H 1 5.02 0.02 . 1 . . . . 84 GLN HA . 16154 1 1086 . 1 1 84 84 GLN HB2 H 1 1.84 0.02 . 2 . . . . 84 GLN HB2 . 16154 1 1087 . 1 1 84 84 GLN HB3 H 1 2.2 0.02 . 2 . . . . 84 GLN HB3 . 16154 1 1088 . 1 1 84 84 GLN HE21 H 1 7.06 0.02 . 2 . . . . 84 GLN HE21 . 16154 1 1089 . 1 1 84 84 GLN HE22 H 1 6.86 0.02 . 2 . . . . 84 GLN HE22 . 16154 1 1090 . 1 1 84 84 GLN HG2 H 1 2 0.02 . 2 . . . . 84 GLN HG2 . 16154 1 1091 . 1 1 84 84 GLN HG3 H 1 2.29 0.02 . 2 . . . . 84 GLN HG3 . 16154 1 1092 . 1 1 84 84 GLN C C 13 174.5 0.2 . 1 . . . . 84 GLN C . 16154 1 1093 . 1 1 84 84 GLN CA C 13 54.4 0.2 . 1 . . . . 84 GLN CA . 16154 1 1094 . 1 1 84 84 GLN CB C 13 29.9 0.2 . 1 . . . . 84 GLN CB . 16154 1 1095 . 1 1 84 84 GLN CG C 13 33.7 0.2 . 1 . . . . 84 GLN CG . 16154 1 1096 . 1 1 84 84 GLN N N 15 124.8 0.2 . 1 . . . . 84 GLN N . 16154 1 1097 . 1 1 84 84 GLN NE2 N 15 109.6 0.2 . 1 . . . . 84 GLN NE2 . 16154 1 1098 . 1 1 85 85 VAL H H 1 8.68 0.02 . 1 . . . . 85 VAL H . 16154 1 1099 . 1 1 85 85 VAL HA H 1 4.3 0.02 . 1 . . . . 85 VAL HA . 16154 1 1100 . 1 1 85 85 VAL HB H 1 2.26 0.02 . 1 . . . . 85 VAL HB . 16154 1 1101 . 1 1 85 85 VAL HG11 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16154 1 1102 . 1 1 85 85 VAL HG12 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16154 1 1103 . 1 1 85 85 VAL HG13 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16154 1 1104 . 1 1 85 85 VAL HG21 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16154 1 1105 . 1 1 85 85 VAL HG22 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16154 1 1106 . 1 1 85 85 VAL HG23 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16154 1 1107 . 1 1 85 85 VAL C C 13 174.5 0.2 . 1 . . . . 85 VAL C . 16154 1 1108 . 1 1 85 85 VAL CA C 13 61.7 0.2 . 1 . . . . 85 VAL CA . 16154 1 1109 . 1 1 85 85 VAL CB C 13 31.7 0.2 . 1 . . . . 85 VAL CB . 16154 1 1110 . 1 1 85 85 VAL CG1 C 13 22.6 0.02 . 2 . . . . 85 VAL CG1 . 16154 1 1111 . 1 1 85 85 VAL CG2 C 13 19.8 0.02 . 2 . . . . 85 VAL CG2 . 16154 1 1112 . 1 1 85 85 VAL N N 15 125.5 0.2 . 1 . . . . 85 VAL N . 16154 1 1113 . 1 1 86 86 ASN H H 1 8.74 0.02 . 1 . . . . 86 ASN H . 16154 1 1114 . 1 1 86 86 ASN HA H 1 5.24 0.02 . 1 . . . . 86 ASN HA . 16154 1 1115 . 1 1 86 86 ASN HB2 H 1 2.64 0.02 . 2 . . . . 86 ASN HB2 . 16154 1 1116 . 1 1 86 86 ASN HB3 H 1 3.33 0.02 . 2 . . . . 86 ASN HB3 . 16154 1 1117 . 1 1 86 86 ASN HD21 H 1 7.38 0.02 . 2 . . . . 86 ASN HD21 . 16154 1 1118 . 1 1 86 86 ASN HD22 H 1 6.36 0.02 . 2 . . . . 86 ASN HD22 . 16154 1 1119 . 1 1 86 86 ASN C C 13 175.3 0.2 . 1 . . . . 86 ASN C . 16154 1 1120 . 1 1 86 86 ASN CA C 13 51.8 0.2 . 1 . . . . 86 ASN CA . 16154 1 1121 . 1 1 86 86 ASN CB C 13 42.4 0.2 . 1 . . . . 86 ASN CB . 16154 1 1122 . 1 1 86 86 ASN N N 15 124 0.2 . 1 . . . . 86 ASN N . 16154 1 1123 . 1 1 86 86 ASN ND2 N 15 112.9 0.2 . 1 . . . . 86 ASN ND2 . 16154 1 1124 . 1 1 87 87 LYS H H 1 8.53 0.02 . 1 . . . . 87 LYS H . 16154 1 1125 . 1 1 87 87 LYS HA H 1 4.21 0.02 . 1 . . . . 87 LYS HA . 16154 1 1126 . 1 1 87 87 LYS HB2 H 1 1.84 0.02 . 2 . . . . 87 LYS HB2 . 16154 1 1127 . 1 1 87 87 LYS HB3 H 1 1.84 0.02 . 2 . . . . 87 LYS HB3 . 16154 1 1128 . 1 1 87 87 LYS HD2 H 1 1.65 0.02 . 2 . . . . 87 LYS HD2 . 16154 1 1129 . 1 1 87 87 LYS HD3 H 1 1.65 0.02 . 2 . . . . 87 LYS HD3 . 16154 1 1130 . 1 1 87 87 LYS HE2 H 1 2.93 0.02 . 2 . . . . 87 LYS HE2 . 16154 1 1131 . 1 1 87 87 LYS HE3 H 1 2.93 0.02 . 2 . . . . 87 LYS HE3 . 16154 1 1132 . 1 1 87 87 LYS HG2 H 1 1.45 0.02 . 2 . . . . 87 LYS HG2 . 16154 1 1133 . 1 1 87 87 LYS HG3 H 1 1.45 0.02 . 2 . . . . 87 LYS HG3 . 16154 1 1134 . 1 1 87 87 LYS C C 13 176.7 0.2 . 1 . . . . 87 LYS C . 16154 1 1135 . 1 1 87 87 LYS CA C 13 59.0 0.2 . 1 . . . . 87 LYS CA . 16154 1 1136 . 1 1 87 87 LYS CB C 13 32.4 0.2 . 1 . . . . 87 LYS CB . 16154 1 1137 . 1 1 87 87 LYS CD C 13 29.1 0.2 . 1 . . . . 87 LYS CD . 16154 1 1138 . 1 1 87 87 LYS CE C 13 42.1 0.2 . 1 . . . . 87 LYS CE . 16154 1 1139 . 1 1 87 87 LYS CG C 13 24.7 0.2 . 1 . . . . 87 LYS CG . 16154 1 1140 . 1 1 87 87 LYS N N 15 117.6 0.2 . 1 . . . . 87 LYS N . 16154 1 1141 . 1 1 88 88 ASN H H 1 8.60 0.02 . 1 . . . . 88 ASN H . 16154 1 1142 . 1 1 88 88 ASN HA H 1 4.81 0.02 . 1 . . . . 88 ASN HA . 16154 1 1143 . 1 1 88 88 ASN HB2 H 1 2.94 0.02 . 2 . . . . 88 ASN HB2 . 16154 1 1144 . 1 1 88 88 ASN HB3 H 1 3.01 0.02 . 2 . . . . 88 ASN HB3 . 16154 1 1145 . 1 1 88 88 ASN HD21 H 1 7.35 0.02 . 2 . . . . 88 ASN HD21 . 16154 1 1146 . 1 1 88 88 ASN HD22 H 1 6.97 0.02 . 2 . . . . 88 ASN HD22 . 16154 1 1147 . 1 1 88 88 ASN C C 13 175.6 0.2 . 1 . . . . 88 ASN C . 16154 1 1148 . 1 1 88 88 ASN CA C 13 54.1 0.2 . 1 . . . . 88 ASN CA . 16154 1 1149 . 1 1 88 88 ASN CB C 13 39.1 0.2 . 1 . . . . 88 ASN CB . 16154 1 1150 . 1 1 88 88 ASN N N 15 115.5 0.2 . 1 . . . . 88 ASN N . 16154 1 1151 . 1 1 88 88 ASN ND2 N 15 113.1 0.2 . 1 . . . . 88 ASN ND2 . 16154 1 1152 . 1 1 89 89 SER H H 1 8.15 0.02 . 1 . . . . 89 SER H . 16154 1 1153 . 1 1 89 89 SER HA H 1 5.12 0.02 . 1 . . . . 89 SER HA . 16154 1 1154 . 1 1 89 89 SER HB2 H 1 3.91 0.02 . 2 . . . . 89 SER HB2 . 16154 1 1155 . 1 1 89 89 SER HB3 H 1 3.97 0.02 . 2 . . . . 89 SER HB3 . 16154 1 1156 . 1 1 89 89 SER C C 13 172.4 0.2 . 1 . . . . 89 SER C . 16154 1 1157 . 1 1 89 89 SER CA C 13 58.1 0.2 . 1 . . . . 89 SER CA . 16154 1 1158 . 1 1 89 89 SER CB C 13 64 0.2 . 1 . . . . 89 SER CB . 16154 1 1159 . 1 1 89 89 SER N N 15 117.5 0.2 . 1 . . . . 89 SER N . 16154 1 1160 . 1 1 90 90 SER H H 1 8.2 0.02 . 1 . . . . 90 SER H . 16154 1 1161 . 1 1 90 90 SER HA H 1 4.68 0.02 . 1 . . . . 90 SER HA . 16154 1 1162 . 1 1 90 90 SER HB2 H 1 3.82 0.02 . 2 . . . . 90 SER HB2 . 16154 1 1163 . 1 1 90 90 SER HB3 H 1 3.82 0.02 . 2 . . . . 90 SER HB3 . 16154 1 1164 . 1 1 90 90 SER C C 13 172.4 0.2 . 1 . . . . 90 SER C . 16154 1 1165 . 1 1 90 90 SER CA C 13 57.7 0.2 . 1 . . . . 90 SER CA . 16154 1 1166 . 1 1 90 90 SER CB C 13 65.7 0.2 . 1 . . . . 90 SER CB . 16154 1 1167 . 1 1 90 90 SER N N 15 113.2 0.2 . 1 . . . . 90 SER N . 16154 1 1168 . 1 1 91 91 ILE H H 1 8.64 0.02 . 1 . . . . 91 ILE H . 16154 1 1169 . 1 1 91 91 ILE HA H 1 5.03 0.02 . 1 . . . . 91 ILE HA . 16154 1 1170 . 1 1 91 91 ILE HB H 1 1.54 0.02 . 1 . . . . 91 ILE HB . 16154 1 1171 . 1 1 91 91 ILE HD11 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16154 1 1172 . 1 1 91 91 ILE HD12 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16154 1 1173 . 1 1 91 91 ILE HD13 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16154 1 1174 . 1 1 91 91 ILE HG12 H 1 0.85 0.02 . 2 . . . . 91 ILE HG12 . 16154 1 1175 . 1 1 91 91 ILE HG13 H 1 1.36 0.02 . 2 . . . . 91 ILE HG13 . 16154 1 1176 . 1 1 91 91 ILE HG21 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16154 1 1177 . 1 1 91 91 ILE HG22 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16154 1 1178 . 1 1 91 91 ILE HG23 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16154 1 1179 . 1 1 91 91 ILE C C 13 175.3 0.2 . 1 . . . . 91 ILE C . 16154 1 1180 . 1 1 91 91 ILE CA C 13 60.2 0.2 . 1 . . . . 91 ILE CA . 16154 1 1181 . 1 1 91 91 ILE CB C 13 42.2 0.2 . 1 . . . . 91 ILE CB . 16154 1 1182 . 1 1 91 91 ILE CD1 C 13 14.4 0.2 . 1 . . . . 91 ILE CD1 . 16154 1 1183 . 1 1 91 91 ILE CG1 C 13 26.8 0.2 . 1 . . . . 91 ILE CG1 . 16154 1 1184 . 1 1 91 91 ILE CG2 C 13 18.7 0.2 . 1 . . . . 91 ILE CG2 . 16154 1 1185 . 1 1 91 91 ILE N N 15 119.7 0.2 . 1 . . . . 91 ILE N . 16154 1 1186 . 1 1 92 92 GLU H H 1 8.81 0.02 . 1 . . . . 92 GLU H . 16154 1 1187 . 1 1 92 92 GLU HA H 1 4.71 0.02 . 1 . . . . 92 GLU HA . 16154 1 1188 . 1 1 92 92 GLU HB2 H 1 1.97 0.02 . 2 . . . . 92 GLU HB2 . 16154 1 1189 . 1 1 92 92 GLU HB3 H 1 2.02 0.02 . 2 . . . . 92 GLU HB3 . 16154 1 1190 . 1 1 92 92 GLU HG2 H 1 2.18 0.02 . 2 . . . . 92 GLU HG2 . 16154 1 1191 . 1 1 92 92 GLU HG3 H 1 2.18 0.02 . 2 . . . . 92 GLU HG3 . 16154 1 1192 . 1 1 92 92 GLU C C 13 174.7 0.2 . 1 . . . . 92 GLU C . 16154 1 1193 . 1 1 92 92 GLU CA C 13 54.6 0.2 . 1 . . . . 92 GLU CA . 16154 1 1194 . 1 1 92 92 GLU CB C 13 33.3 0.2 . 1 . . . . 92 GLU CB . 16154 1 1195 . 1 1 92 92 GLU CG C 13 35.7 0.2 . 1 . . . . 92 GLU CG . 16154 1 1196 . 1 1 92 92 GLU N N 15 125.9 0.2 . 1 . . . . 92 GLU N . 16154 1 1197 . 1 1 93 93 LYS H H 1 9.08 0.02 . 1 . . . . 93 LYS H . 16154 1 1198 . 1 1 93 93 LYS HA H 1 4.1 0.02 . 1 . . . . 93 LYS HA . 16154 1 1199 . 1 1 93 93 LYS HB2 H 1 1.69 0.02 . 2 . . . . 93 LYS HB2 . 16154 1 1200 . 1 1 93 93 LYS HB3 H 1 1.69 0.02 . 2 . . . . 93 LYS HB3 . 16154 1 1201 . 1 1 93 93 LYS HD2 H 1 1.61 0.02 . 2 . . . . 93 LYS HD2 . 16154 1 1202 . 1 1 93 93 LYS HD3 H 1 1.61 0.02 . 2 . . . . 93 LYS HD3 . 16154 1 1203 . 1 1 93 93 LYS HE2 H 1 2.89 0.02 . 2 . . . . 93 LYS HE2 . 16154 1 1204 . 1 1 93 93 LYS HE3 H 1 2.89 0.02 . 2 . . . . 93 LYS HE3 . 16154 1 1205 . 1 1 93 93 LYS HG2 H 1 1.07 0.02 . 2 . . . . 93 LYS HG2 . 16154 1 1206 . 1 1 93 93 LYS HG3 H 1 1.32 0.02 . 2 . . . . 93 LYS HG3 . 16154 1 1207 . 1 1 93 93 LYS C C 13 176.4 0.2 . 1 . . . . 93 LYS C . 16154 1 1208 . 1 1 93 93 LYS CA C 13 57.5 0.2 . 1 . . . . 93 LYS CA . 16154 1 1209 . 1 1 93 93 LYS CB C 13 32.9 0.2 . 1 . . . . 93 LYS CB . 16154 1 1210 . 1 1 93 93 LYS CD C 13 29.2 0.2 . 1 . . . . 93 LYS CD . 16154 1 1211 . 1 1 93 93 LYS CE C 13 41.9 0.2 . 1 . . . . 93 LYS CE . 16154 1 1212 . 1 1 93 93 LYS CG C 13 25.0 0.2 . 1 . . . . 93 LYS CG . 16154 1 1213 . 1 1 93 93 LYS N N 15 127.6 0.2 . 1 . . . . 93 LYS N . 16154 1 1214 . 1 1 94 94 LEU H H 1 8.41 0.02 . 1 . . . . 94 LEU H . 16154 1 1215 . 1 1 94 94 LEU HA H 1 4.48 0.02 . 1 . . . . 94 LEU HA . 16154 1 1216 . 1 1 94 94 LEU HB2 H 1 1.3 0.02 . 2 . . . . 94 LEU HB2 . 16154 1 1217 . 1 1 94 94 LEU HB3 H 1 1.49 0.02 . 2 . . . . 94 LEU HB3 . 16154 1 1218 . 1 1 94 94 LEU HD11 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16154 1 1219 . 1 1 94 94 LEU HD12 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16154 1 1220 . 1 1 94 94 LEU HD13 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16154 1 1221 . 1 1 94 94 LEU HD21 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16154 1 1222 . 1 1 94 94 LEU HD22 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16154 1 1223 . 1 1 94 94 LEU HD23 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16154 1 1224 . 1 1 94 94 LEU C C 13 177.3 0.2 . 1 . . . . 94 LEU C . 16154 1 1225 . 1 1 94 94 LEU CA C 13 53.9 0.2 . 1 . . . . 94 LEU CA . 16154 1 1226 . 1 1 94 94 LEU CB C 13 42.9 0.2 . 1 . . . . 94 LEU CB . 16154 1 1227 . 1 1 94 94 LEU CD1 C 13 22.4 0.02 . 2 . . . . 94 LEU CD1 . 16154 1 1228 . 1 1 94 94 LEU CD2 C 13 22.4 0.02 . 2 . . . . 94 LEU CD2 . 16154 1 1229 . 1 1 94 94 LEU CG C 13 26.3 0.2 . 1 . . . . 94 LEU CG . 16154 1 1230 . 1 1 94 94 LEU N N 15 127.3 0.2 . 1 . . . . 94 LEU N . 16154 1 1231 . 1 1 95 95 SER H H 1 8.63 0.02 . 1 . . . . 95 SER H . 16154 1 1232 . 1 1 95 95 SER HA H 1 4.35 0.02 . 1 . . . . 95 SER HA . 16154 1 1233 . 1 1 95 95 SER HB2 H 1 3.81 0.02 . 2 . . . . 95 SER HB2 . 16154 1 1234 . 1 1 95 95 SER HB3 H 1 3.88 0.02 . 2 . . . . 95 SER HB3 . 16154 1 1235 . 1 1 95 95 SER C C 13 173.8 0.2 . 1 . . . . 95 SER C . 16154 1 1236 . 1 1 95 95 SER CA C 13 58.9 0.2 . 1 . . . . 95 SER CA . 16154 1 1237 . 1 1 95 95 SER CB C 13 63.4 0.2 . 1 . . . . 95 SER CB . 16154 1 1238 . 1 1 95 95 SER N N 15 115.7 0.2 . 1 . . . . 95 SER N . 16154 1 1239 . 1 1 96 96 GLU H H 1 7.23 0.02 . 1 . . . . 96 GLU H . 16154 1 1240 . 1 1 96 96 GLU HA H 1 4.75 0.02 . 1 . . . . 96 GLU HA . 16154 1 1241 . 1 1 96 96 GLU HB2 H 1 1.81 0.02 . 2 . . . . 96 GLU HB2 . 16154 1 1242 . 1 1 96 96 GLU HB3 H 1 1.91 0.02 . 2 . . . . 96 GLU HB3 . 16154 1 1243 . 1 1 96 96 GLU HG2 H 1 2.13 0.02 . 2 . . . . 96 GLU HG2 . 16154 1 1244 . 1 1 96 96 GLU HG3 H 1 2.13 0.02 . 2 . . . . 96 GLU HG3 . 16154 1 1245 . 1 1 96 96 GLU CA C 13 53 0.2 . 1 . . . . 96 GLU CA . 16154 1 1246 . 1 1 96 96 GLU CB C 13 30.7 0.2 . 1 . . . . 96 GLU CB . 16154 1 1247 . 1 1 96 96 GLU CG C 13 35.8 0.2 . 1 . . . . 96 GLU CG . 16154 1 1248 . 1 1 96 96 GLU N N 15 121.6 0.2 . 1 . . . . 96 GLU N . 16154 1 1249 . 1 1 97 97 PRO HA H 1 4.25 0.02 . 1 . . . . 97 PRO HA . 16154 1 1250 . 1 1 97 97 PRO HB2 H 1 1.72 0.02 . 2 . . . . 97 PRO HB2 . 16154 1 1251 . 1 1 97 97 PRO HB3 H 1 2.18 0.02 . 2 . . . . 97 PRO HB3 . 16154 1 1252 . 1 1 97 97 PRO HD2 H 1 3.61 0.02 . 2 . . . . 97 PRO HD2 . 16154 1 1253 . 1 1 97 97 PRO HD3 H 1 3.76 0.02 . 2 . . . . 97 PRO HD3 . 16154 1 1254 . 1 1 97 97 PRO HG2 H 1 1.95 0.02 . 2 . . . . 97 PRO HG2 . 16154 1 1255 . 1 1 97 97 PRO HG3 H 1 1.95 0.02 . 2 . . . . 97 PRO HG3 . 16154 1 1256 . 1 1 97 97 PRO CA C 13 62.4 0.2 . 1 . . . . 97 PRO CA . 16154 1 1257 . 1 1 97 97 PRO CB C 13 32.6 0.2 . 1 . . . . 97 PRO CB . 16154 1 1258 . 1 1 97 97 PRO CD C 13 50.6 0.2 . 1 . . . . 97 PRO CD . 16154 1 1259 . 1 1 97 97 PRO CG C 13 27.1 0.2 . 1 . . . . 97 PRO CG . 16154 1 1260 . 1 1 98 98 ILE H H 1 7.92 0.02 . 1 . . . . 98 ILE H . 16154 1 1261 . 1 1 98 98 ILE HA H 1 4.07 0.02 . 1 . . . . 98 ILE HA . 16154 1 1262 . 1 1 98 98 ILE HB H 1 1.74 0.02 . 1 . . . . 98 ILE HB . 16154 1 1263 . 1 1 98 98 ILE HD11 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16154 1 1264 . 1 1 98 98 ILE HD12 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16154 1 1265 . 1 1 98 98 ILE HD13 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16154 1 1266 . 1 1 98 98 ILE HG12 H 1 1.19 0.02 . 2 . . . . 98 ILE HG12 . 16154 1 1267 . 1 1 98 98 ILE HG13 H 1 1.23 0.02 . 2 . . . . 98 ILE HG13 . 16154 1 1268 . 1 1 98 98 ILE HG21 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16154 1 1269 . 1 1 98 98 ILE HG22 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16154 1 1270 . 1 1 98 98 ILE HG23 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16154 1 1271 . 1 1 98 98 ILE C C 13 175.4 0.2 . 1 . . . . 98 ILE C . 16154 1 1272 . 1 1 98 98 ILE CA C 13 59.3 0.2 . 1 . . . . 98 ILE CA . 16154 1 1273 . 1 1 98 98 ILE CB C 13 38.3 0.2 . 1 . . . . 98 ILE CB . 16154 1 1274 . 1 1 98 98 ILE CD1 C 13 12 0.2 . 1 . . . . 98 ILE CD1 . 16154 1 1275 . 1 1 98 98 ILE CG1 C 13 27.2 0.2 . 1 . . . . 98 ILE CG1 . 16154 1 1276 . 1 1 98 98 ILE CG2 C 13 17 0.2 . 1 . . . . 98 ILE CG2 . 16154 1 1277 . 1 1 98 98 ILE N N 15 122.7 0.2 . 1 . . . . 98 ILE N . 16154 1 1278 . 1 1 99 99 GLU H H 1 8.55 0.02 . 1 . . . . 99 GLU H . 16154 1 1279 . 1 1 99 99 GLU HA H 1 4.26 0.02 . 1 . . . . 99 GLU HA . 16154 1 1280 . 1 1 99 99 GLU HB2 H 1 1.88 0.02 . 2 . . . . 99 GLU HB2 . 16154 1 1281 . 1 1 99 99 GLU HB3 H 1 1.88 0.02 . 2 . . . . 99 GLU HB3 . 16154 1 1282 . 1 1 99 99 GLU HG2 H 1 2.15 0.02 . 2 . . . . 99 GLU HG2 . 16154 1 1283 . 1 1 99 99 GLU HG3 H 1 2.15 0.02 . 2 . . . . 99 GLU HG3 . 16154 1 1284 . 1 1 99 99 GLU C C 13 175.1 0.2 . 1 . . . . 99 GLU C . 16154 1 1285 . 1 1 99 99 GLU CA C 13 55.5 0.2 . 1 . . . . 99 GLU CA . 16154 1 1286 . 1 1 99 99 GLU CB C 13 30 0.2 . 1 . . . . 99 GLU CB . 16154 1 1287 . 1 1 99 99 GLU CG C 13 35.7 0.2 . 1 . . . . 99 GLU CG . 16154 1 1288 . 1 1 99 99 GLU N N 15 127.9 0.2 . 1 . . . . 99 GLU N . 16154 1 1289 . 1 1 100 100 VAL H H 1 7.97 0.02 . 1 . . . . 100 VAL H . 16154 1 1290 . 1 1 100 100 VAL HA H 1 3.98 0.02 . 1 . . . . 100 VAL HA . 16154 1 1291 . 1 1 100 100 VAL HB H 1 1.92 0.02 . 1 . . . . 100 VAL HB . 16154 1 1292 . 1 1 100 100 VAL HG11 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16154 1 1293 . 1 1 100 100 VAL HG12 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16154 1 1294 . 1 1 100 100 VAL HG13 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16154 1 1295 . 1 1 100 100 VAL HG21 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16154 1 1296 . 1 1 100 100 VAL HG22 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16154 1 1297 . 1 1 100 100 VAL HG23 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16154 1 1298 . 1 1 100 100 VAL C C 13 176.7 0.2 . 1 . . . . 100 VAL C . 16154 1 1299 . 1 1 100 100 VAL CA C 13 61 0.2 . 1 . . . . 100 VAL CA . 16154 1 1300 . 1 1 100 100 VAL CB C 13 33 0.2 . 1 . . . . 100 VAL CB . 16154 1 1301 . 1 1 100 100 VAL CG1 C 13 21.3 0.02 . 2 . . . . 100 VAL CG1 . 16154 1 1302 . 1 1 100 100 VAL CG2 C 13 21.3 0.02 . 2 . . . . 100 VAL CG2 . 16154 1 1303 . 1 1 100 100 VAL N N 15 121.1 0.2 . 1 . . . . 100 VAL N . 16154 1 1304 . 1 1 101 101 GLY H H 1 8.52 0.02 . 1 . . . . 101 GLY H . 16154 1 1305 . 1 1 101 101 GLY HA2 H 1 3.83 0.02 . 2 . . . . 101 GLY HA2 . 16154 1 1306 . 1 1 101 101 GLY HA3 H 1 3.98 0.02 . 2 . . . . 101 GLY HA3 . 16154 1 1307 . 1 1 101 101 GLY C C 13 174.2 0.2 . 1 . . . . 101 GLY C . 16154 1 1308 . 1 1 101 101 GLY CA C 13 45.8 0.2 . 1 . . . . 101 GLY CA . 16154 1 1309 . 1 1 101 101 GLY N N 15 114 0.2 . 1 . . . . 101 GLY N . 16154 1 1310 . 1 1 102 102 LEU H H 1 8.10 0.02 . 1 . . . . 102 LEU H . 16154 1 1311 . 1 1 102 102 LEU HA H 1 4.17 0.02 . 1 . . . . 102 LEU HA . 16154 1 1312 . 1 1 102 102 LEU HB2 H 1 1.52 0.02 . 2 . . . . 102 LEU HB2 . 16154 1 1313 . 1 1 102 102 LEU HB3 H 1 1.52 0.02 . 2 . . . . 102 LEU HB3 . 16154 1 1314 . 1 1 102 102 LEU HD11 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16154 1 1315 . 1 1 102 102 LEU HD12 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16154 1 1316 . 1 1 102 102 LEU HD13 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16154 1 1317 . 1 1 102 102 LEU HD21 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16154 1 1318 . 1 1 102 102 LEU HD22 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16154 1 1319 . 1 1 102 102 LEU HD23 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16154 1 1320 . 1 1 102 102 LEU C C 13 177.7 0.2 . 1 . . . . 102 LEU C . 16154 1 1321 . 1 1 102 102 LEU CA C 13 55.5 0.2 . 1 . . . . 102 LEU CA . 16154 1 1322 . 1 1 102 102 LEU CB C 13 42.6 0.2 . 1 . . . . 102 LEU CB . 16154 1 1323 . 1 1 102 102 LEU CD1 C 13 25.1 0.02 . 2 . . . . 102 LEU CD1 . 16154 1 1324 . 1 1 102 102 LEU CD2 C 13 23.6 0.02 . 2 . . . . 102 LEU CD2 . 16154 1 1325 . 1 1 102 102 LEU CG C 13 27.1 0.2 . 1 . . . . 102 LEU CG . 16154 1 1326 . 1 1 102 102 LEU N N 15 121.0 0.2 . 1 . . . . 102 LEU N . 16154 1 1327 . 1 1 103 103 GLU H H 1 8.42 0.02 . 1 . . . . 103 GLU H . 16154 1 1328 . 1 1 103 103 GLU HA H 1 4.09 0.02 . 1 . . . . 103 GLU HA . 16154 1 1329 . 1 1 103 103 GLU HB2 H 1 1.84 0.02 . 2 . . . . 103 GLU HB2 . 16154 1 1330 . 1 1 103 103 GLU HB3 H 1 1.84 0.02 . 2 . . . . 103 GLU HB3 . 16154 1 1331 . 1 1 103 103 GLU HG2 H 1 2.01 0.02 . 2 . . . . 103 GLU HG2 . 16154 1 1332 . 1 1 103 103 GLU HG3 H 1 2.1 0.02 . 2 . . . . 103 GLU HG3 . 16154 1 1333 . 1 1 103 103 GLU C C 13 176.4 0.2 . 1 . . . . 103 GLU C . 16154 1 1334 . 1 1 103 103 GLU CA C 13 57.1 0.2 . 1 . . . . 103 GLU CA . 16154 1 1335 . 1 1 103 103 GLU CB C 13 29.9 0.2 . 1 . . . . 103 GLU CB . 16154 1 1336 . 1 1 103 103 GLU CG C 13 35.9 0.2 . 1 . . . . 103 GLU CG . 16154 1 1337 . 1 1 103 103 GLU N N 15 120 0.2 . 1 . . . . 103 GLU N . 16154 1 1338 . 1 1 104 104 HIS H H 1 8.18 0.02 . 1 . . . . 104 HIS H . 16154 1 1339 . 1 1 104 104 HIS HA H 1 4.58 0.02 . 1 . . . . 104 HIS HA . 16154 1 1340 . 1 1 104 104 HIS HB2 H 1 3.09 0.02 . 2 . . . . 104 HIS HB2 . 16154 1 1341 . 1 1 104 104 HIS HB3 H 1 3.09 0.02 . 2 . . . . 104 HIS HB3 . 16154 1 1342 . 1 1 104 104 HIS C C 13 173.8 0.2 . 1 . . . . 104 HIS C . 16154 1 1343 . 1 1 104 104 HIS CA C 13 55.7 0.2 . 1 . . . . 104 HIS CA . 16154 1 1344 . 1 1 104 104 HIS CB C 13 30.0 0.2 . 1 . . . . 104 HIS CB . 16154 1 1345 . 1 1 104 104 HIS N N 15 119.0 0.2 . 1 . . . . 104 HIS N . 16154 1 1346 . 1 1 105 105 HIS H H 1 8.16 0.02 . 1 . . . . 105 HIS H . 16154 1 1347 . 1 1 105 105 HIS HA H 1 4.38 0.02 . 1 . . . . 105 HIS HA . 16154 1 1348 . 1 1 105 105 HIS HB2 H 1 3.05 0.02 . 2 . . . . 105 HIS HB2 . 16154 1 1349 . 1 1 105 105 HIS HB3 H 1 3.15 0.02 . 2 . . . . 105 HIS HB3 . 16154 1 1350 . 1 1 105 105 HIS CA C 13 57.2 0.2 . 1 . . . . 105 HIS CA . 16154 1 1351 . 1 1 105 105 HIS CB C 13 30.0 0.2 . 1 . . . . 105 HIS CB . 16154 1 1352 . 1 1 105 105 HIS N N 15 125.4 0.2 . 1 . . . . 105 HIS N . 16154 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_N15-noesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode N15-noesy _Spectral_peak_list.Entry_ID 16154 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 104.595 1.299 9.208 8118156 104.595 1.299 9.208 8118156 104.598 1.662 9.206 9752965 104.598 1.662 9.206 9752965 104.600 1.173 9.207 30600254 104.600 0.275 9.206 4661970 104.600 1.173 9.207 30600254 104.600 0.275 9.206 4661970 104.601 0.040 9.207 12609990 104.601 0.040 9.207 12609990 104.602 1.408 9.209 6601250 104.602 1.408 9.209 6601250 104.604 1.537 9.208 3551946 104.604 1.537 9.208 3551946 104.605 5.325 9.207 53992400 104.605 5.325 9.207 53992400 104.606 3.550 9.206 16512381 104.606 0.847 9.208 15473300 104.606 3.550 9.206 16512381 104.606 0.847 9.208 15473300 104.609 4.823 9.210 4035878 104.609 4.823 9.210 4035878 104.612 1.037 9.207 9370496 104.612 1.037 9.207 9370496 104.613 0.704 9.208 16327960 104.613 0.704 9.208 16327960 104.617 4.094 9.206 4991066 104.617 4.094 9.206 4991066 104.620 8.441 9.207 5890581 104.620 9.394 9.209 5093625 104.620 8.441 9.207 5890581 104.620 9.394 9.209 5093625 104.634 8.967 9.211 5039848 104.634 8.967 9.211 5039848 108.295 7.803 7.803 108218080 108.295 7.803 7.803 108218080 108.349 2.122 7.803 11960878 108.349 2.122 7.803 11960878 108.392 2.456 7.803 8603947 108.392 2.456 7.803 8603947 108.397 3.787 6.921 12503251 108.397 3.787 6.921 12502114 108.402 1.117 7.803 9491541 108.402 1.117 7.803 9491541 108.407 0.714 6.920 7390718 108.407 0.714 6.920 7390718 108.410 7.449 6.922 2827760 108.410 1.841 6.927 2140278 108.410 7.449 6.922 2827760 108.410 1.841 6.927 2140278 108.423 0.986 7.802 3448471 108.423 0.986 7.802 3448471 108.441 0.465 6.924 3354714 108.441 0.465 6.924 3354714 108.444 8.514 6.919 4807083 108.444 8.514 6.919 4807083 108.447 0.445 7.799 2156800 108.447 0.445 7.799 2156800 108.454 1.119 6.920 8269524 108.454 1.119 6.920 8269524 108.459 8.523 7.804 2595684 108.459 8.523 7.804 2595684 108.466 1.872 7.797 1653010 108.466 1.872 7.797 1653010 108.469 2.454 6.923 6249805 108.469 2.454 6.923 6249805 108.473 0.975 6.922 2865044 108.473 0.975 6.922 2865044 108.475 2.121 6.920 7633225 108.475 0.718 7.801 4856227 108.475 2.121 6.920 7633225 108.475 0.718 7.801 4856227 108.479 3.787 7.801 7145629 108.479 3.787 7.801 7145629 108.487 7.802 6.921 75685632 108.487 7.802 6.921 75685632 108.488 6.922 7.803 74685592 108.488 6.922 7.803 74685592 108.523 7.468 7.806 1784067 108.523 7.468 7.806 1783060 109.344 1.660 6.630 1654036 109.344 1.660 6.630 1654036 109.368 2.801 7.461 9001039 109.368 2.801 7.461 9001039 109.370 3.099 7.460 9750035 109.370 3.099 7.460 9750035 109.376 8.635 7.451 1608878 109.376 8.635 7.451 1608878 109.387 4.795 6.617 4963008 109.387 4.795 6.617 4963008 109.389 4.793 7.458 6670204 109.389 4.793 7.458 6670204 109.395 2.950 7.461 2877778 109.395 2.950 7.461 2877778 109.407 1.664 7.456 1882946 109.407 1.664 7.456 1882946 109.414 4.512 7.460 2649257 109.414 4.512 7.460 2649257 109.422 2.799 6.621 6352862 109.422 2.799 6.621 6352862 109.423 3.098 6.620 7019790 109.423 3.098 6.620 7019790 109.424 4.528 6.619 2023380 109.424 4.528 6.619 2023380 109.431 8.611 6.619 2126576 109.431 8.611 6.619 2126576 109.434 6.621 7.458 124306792 109.434 6.621 7.458 124306792 109.436 7.458 6.620 124289208 109.436 7.458 6.620 124289208 109.444 2.941 6.623 2578250 109.444 2.941 6.623 2578250 109.475 9.038 6.859 2386143 109.475 9.038 6.859 2386143 109.507 9.283 6.862 1797860 109.507 9.283 6.862 1797860 109.511 10.098 6.863 2330714 109.511 10.098 6.863 2330714 109.547 7.595 6.612 1579744 109.547 7.595 6.612 1579744 109.549 4.810 6.441 5031503 109.549 4.810 6.441 5031503 109.550 5.133 6.864 2065593 109.550 5.133 6.864 2065593 109.554 3.757 6.867 3397399 109.554 3.757 6.867 3397399 109.557 0.512 6.865 9119833 109.557 0.512 6.865 9119833 109.564 8.861 6.442 4220782 109.564 8.861 6.442 4220782 109.571 4.798 6.862 5122490 109.571 4.798 6.862 5122490 109.573 2.021 6.864 8340859 109.573 2.021 6.864 8340859 109.576 2.187 6.864 6664166 109.576 2.187 6.864 6664166 109.577 2.283 6.864 8904773 109.577 4.798 7.058 8352868 109.577 2.283 6.864 8904773 109.577 4.798 7.058 8352868 109.578 3.748 7.059 3315154 109.578 3.748 7.059 3315154 109.581 0.856 6.440 48391460 109.581 1.732 6.440 15704567 109.581 0.856 6.440 48391460 109.581 1.732 6.440 15704567 109.582 5.108 7.057 1803933 109.582 5.108 7.057 1803933 109.584 6.742 6.441 7231582 109.584 6.742 6.441 7231582 109.585 3.685 6.441 13370701 109.585 1.827 6.863 7298072 109.585 3.685 6.441 13370701 109.585 1.827 6.863 7298072 109.588 4.704 6.443 3970072 109.588 4.704 6.443 3970072 109.591 4.152 6.441 69246144 109.591 4.312 6.441 8493438 109.591 4.152 6.441 69246144 109.591 4.312 6.441 8493438 109.594 8.566 6.441 17676032 109.594 7.305 6.864 3652287 109.594 8.566 6.441 17676032 109.594 7.305 6.864 3652287 109.599 8.387 6.441 5990678 109.599 8.387 6.441 5990678 109.601 1.944 6.440 15776710 109.601 1.944 6.440 15776710 109.603 6.863 7.060 144503328 109.603 6.863 7.060 144503328 109.607 2.274 7.061 3170591 109.607 2.274 7.061 3170591 109.608 0.517 7.059 5894835 109.608 0.517 7.059 5894835 109.610 1.831 7.065 2821108 109.610 7.064 6.864 163234176 109.610 7.304 7.060 4309588 109.610 1.831 7.065 2821108 109.610 7.064 6.864 163234176 109.610 7.304 7.060 4309588 109.611 2.018 7.060 3686334 109.611 2.018 7.060 3686334 109.623 7.549 6.856 1759028 109.623 7.549 6.856 1759028 109.842 7.151 6.836 -1588350 109.842 7.151 6.836 -1588350 110.575 8.010 7.635 5499359 110.575 8.010 7.635 5499359 110.585 9.590 7.637 74383648 110.585 9.590 7.637 74383648 110.587 0.637 7.639 9931880 110.587 0.637 7.639 9931880 110.588 1.103 7.638 12533435 110.588 1.103 7.638 12533435 110.591 0.827 7.636 7999866 110.591 0.481 7.635 8107814 110.591 0.827 7.636 7999866 110.591 0.481 7.635 8071846 110.593 8.962 7.637 23072912 110.593 6.942 7.638 24653772 110.593 8.962 7.637 23072912 110.593 6.942 7.638 24513410 110.595 3.996 7.637 43075604 110.595 4.587 7.638 13363588 110.595 3.996 7.637 43075604 110.595 4.587 7.638 13363588 110.606 4.194 7.637 6925406 110.606 4.194 7.637 6925406 110.607 1.581 7.637 9855556 110.607 1.581 7.637 9855556 111.256 3.693 7.422 1936749 111.256 3.693 7.422 1936749 111.327 8.465 7.422 2132156 111.327 8.465 7.422 2132156 111.332 3.699 6.880 2039480 111.332 3.699 6.880 2039480 111.347 4.207 7.420 3328392 111.347 4.207 7.420 3328392 111.348 0.851 7.425 2434288 111.348 0.851 7.425 2434288 111.360 0.713 7.421 2400568 111.360 0.713 7.421 2400568 111.371 2.311 7.420 21074656 111.371 2.311 7.420 21074656 111.376 2.047 7.422 11097355 111.376 5.065 6.820 1545017 111.376 2.047 7.422 11097355 111.376 5.065 6.820 1545017 111.377 9.138 7.421 2050850 111.377 9.138 7.421 2050850 111.386 4.563 7.419 4888505 111.386 4.563 7.419 4888505 111.389 2.314 6.883 8759847 111.389 2.314 6.883 8759847 111.393 4.567 6.881 5959961 111.393 4.567 6.881 5959961 111.400 4.206 6.879 3142881 111.400 4.206 6.879 3142881 111.403 7.424 6.881 302107072 111.403 7.424 6.881 302107072 111.405 6.882 7.420 338358016 111.405 6.882 7.420 338358016 111.408 0.711 6.885 2246548 111.408 0.711 6.885 2246548 111.456 2.044 6.883 7467353 111.456 2.044 6.883 7467353 111.484 4.558 7.551 2261946 111.484 4.558 7.551 2261946 111.494 3.384 6.822 1955044 111.494 3.384 6.822 1955044 111.499 1.783 7.557 9830026 111.499 1.783 7.557 9830026 111.512 2.080 7.558 8799025 111.512 2.080 7.558 8799025 111.513 1.784 6.817 5102164 111.513 1.784 6.817 5102164 111.550 2.076 6.819 5374792 111.550 2.076 6.819 5374792 111.561 6.823 7.557 79619456 111.561 6.823 7.557 79619456 111.566 7.559 6.819 87786904 111.566 7.559 6.819 87786904 111.575 2.713 6.818 1676122 111.575 2.713 6.818 1676122 111.651 8.796 6.894 2365187 111.651 8.796 6.894 2365187 111.655 8.798 7.580 2563004 111.655 8.798 7.580 2563004 111.660 2.309 7.693 13098751 111.660 2.309 7.693 13098751 111.673 2.480 7.695 8065005 111.673 2.309 6.952 5276181 111.673 2.480 7.695 8065005 111.673 2.309 6.952 5276181 111.674 4.104 7.580 2383481 111.674 4.104 7.580 2383481 111.679 4.550 7.692 1933742 111.679 4.550 7.692 1933742 111.680 2.798 7.582 18570100 111.680 2.798 7.582 18570100 111.687 0.881 7.697 2912100 111.687 0.881 7.697 2912100 111.689 4.095 6.896 2293023 111.689 4.095 6.896 2293023 111.715 6.953 7.693 134648096 111.715 6.953 7.693 134648096 111.718 2.479 6.953 3387957 111.718 2.479 6.953 3387957 111.719 7.696 6.952 123881848 111.719 7.696 6.952 123881848 111.723 1.871 7.696 3388190 111.723 8.467 7.696 2124686 111.723 1.871 7.696 3388190 111.723 8.467 7.696 2124686 111.725 2.795 6.890 11316155 111.725 2.795 6.890 11316155 111.745 6.888 7.582 171622064 111.745 6.888 7.582 171622064 111.752 1.897 6.961 1943650 111.752 1.897 6.961 1943650 111.758 0.866 6.955 1837286 111.758 0.866 6.955 1837286 111.769 7.578 6.891 161457568 111.769 7.578 6.891 161457568 112.003 8.634 6.678 1957986 112.003 8.634 6.678 1957986 112.010 2.400 7.101 13126948 112.010 2.400 7.101 13126948 112.018 3.998 7.102 1622884 112.018 3.998 7.102 1617671 112.023 8.633 7.113 1661450 112.023 8.633 7.113 1661450 112.031 1.581 9.597 3977421 112.031 1.581 9.597 3977421 112.038 2.026 9.598 2841966 112.038 2.026 9.598 2841966 112.047 2.735 7.101 7560278 112.047 2.735 7.101 7560278 112.050 8.346 9.596 3021214 112.050 8.346 9.596 3021214 112.060 4.200 9.597 5156431 112.060 4.200 9.597 5156431 112.061 2.730 6.677 5973372 112.061 2.730 6.677 5962582 112.063 4.361 9.598 5014847 112.063 4.361 9.598 5014847 112.064 2.276 9.596 3532954 112.064 2.196 9.597 3681086 112.064 2.276 9.596 3532954 112.064 2.196 9.597 3681086 112.066 4.583 9.595 12781658 112.066 4.583 9.595 12781658 112.067 3.029 9.594 2526402 112.067 3.029 9.594 2526402 112.070 1.107 9.595 27246836 112.070 1.107 9.595 27246836 112.072 6.679 7.101 178955568 112.072 6.679 7.101 178955568 112.075 7.641 9.595 42217420 112.075 7.641 9.595 42217420 112.076 10.138 9.596 10276046 112.076 7.103 6.677 250340672 112.076 10.138 9.596 10276046 112.076 7.103 6.677 250340672 112.077 6.940 9.594 28892236 112.077 6.940 9.594 28892236 112.078 4.800 9.593 2882975 112.078 4.800 9.593 2882975 112.080 9.865 9.591 2990652 112.080 9.865 9.591 2990652 112.082 2.400 6.677 9657052 112.082 2.400 6.677 9657052 112.084 3.995 9.594 4477230 112.084 3.995 9.594 4477230 112.100 8.960 9.595 3909416 112.100 8.960 9.595 3909416 112.102 0.764 9.596 3287667 112.102 0.764 9.596 3287667 112.117 3.244 9.597 3207405 112.117 3.244 9.597 3207405 112.554 7.633 7.880 31381954 112.554 7.633 7.880 31381954 112.557 4.506 7.883 6749638 112.557 4.506 7.883 6749638 112.559 2.146 7.880 38210080 112.559 1.329 7.880 24567428 112.559 2.146 7.880 38210080 112.559 1.329 7.880 24567428 112.562 3.941 7.880 91763136 112.562 3.941 7.880 91763136 112.566 0.653 7.876 1994089 112.566 0.653 7.876 1994089 112.580 4.785 7.878 5600368 112.580 4.785 7.878 5600368 112.698 0.903 7.881 4354480 112.698 0.903 7.881 4354480 112.784 4.285 6.353 1892656 112.784 4.285 6.353 1892656 112.793 7.937 6.364 2010925 112.793 8.733 7.374 2218458 112.793 7.937 6.364 2010925 112.793 8.733 7.374 2218458 112.794 0.664 7.375 1546225 112.794 0.664 7.375 1546225 112.803 3.319 7.380 4012806 112.803 3.319 7.380 4012806 112.812 2.632 7.381 6255927 112.812 2.632 7.381 6255927 112.855 3.324 6.357 2750151 112.855 3.324 6.357 2750151 112.862 4.608 6.361 2475734 112.862 4.608 6.361 2475734 112.866 0.515 6.359 7062396 112.866 0.515 6.359 7062396 112.867 0.512 7.380 6078092 112.867 0.512 7.380 6078092 112.873 0.107 7.374 2174432 112.873 0.107 7.374 2174432 112.876 6.366 7.382 56244532 112.876 6.366 7.382 56244532 112.885 8.747 6.358 2718520 112.885 4.794 7.370 10892275 112.885 8.747 6.358 2718520 112.885 4.794 7.370 10892275 112.894 7.380 6.358 64342672 112.894 7.380 6.358 64342672 112.902 0.746 6.359 1759967 112.902 0.746 6.359 1759967 112.910 2.635 6.358 3583780 112.910 2.635 6.358 3583780 112.940 4.768 6.353 2802312 112.940 4.768 6.353 2802312 112.947 0.092 6.356 2171623 112.947 0.092 6.356 2171623 112.989 7.959 7.370 2319314 112.989 7.959 7.370 2319314 113.013 4.797 6.969 16473562 113.013 4.797 6.969 16473562 113.022 2.984 7.357 12237574 113.022 2.984 7.357 12110441 113.027 8.592 7.356 4225866 113.027 8.592 7.356 4225866 113.029 8.596 6.970 2998990 113.029 8.596 6.970 2998990 113.068 2.984 6.970 8241290 113.068 2.984 6.970 8241290 113.077 7.355 6.970 184302688 113.077 7.355 6.970 184302688 113.093 6.966 7.354 152716144 113.093 6.966 7.354 152716144 113.214 4.786 8.203 11877061 113.214 4.786 8.203 11877061 113.227 0.698 8.202 6564470 113.227 0.698 8.202 6564470 113.230 0.837 8.201 8219858 113.230 0.837 8.201 8219858 113.232 8.639 8.205 4921224 113.232 8.639 8.205 4921224 113.239 8.906 8.202 19644922 113.239 3.963 8.201 29812102 113.239 8.906 8.202 19644922 113.239 3.963 8.201 29812102 113.240 8.782 8.205 4109035 113.240 8.782 8.205 4109035 113.245 5.121 8.201 45408520 113.245 3.850 8.201 22672168 113.245 5.121 8.201 45408520 113.245 3.850 8.201 22672168 113.247 1.793 8.202 17462884 113.247 1.793 8.202 17462884 113.249 4.696 8.202 17916180 113.249 4.696 8.202 17916180 113.251 5.010 8.199 8855830 113.251 5.010 8.199 8855830 113.256 1.536 8.202 3259054 113.256 1.536 8.202 3259054 113.259 4.269 7.583 2355214 113.259 4.269 7.583 2355214 113.296 1.374 8.208 2848730 113.296 1.374 8.208 2848730 113.309 2.018 6.925 1936443 113.309 2.018 6.925 1936443 113.332 2.355 6.923 8720156 113.332 2.355 6.923 8720156 113.337 2.358 7.585 22283642 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127.976 7.947 8.549 6378744 127.976 7.947 8.549 6372571 127.985 1.740 8.546 6940074 127.985 1.740 8.546 6940074 128.433 0.660 10.095 2206149 128.433 0.660 10.095 2206149 128.478 0.512 10.095 4554594 128.478 0.512 10.095 4554594 128.481 7.428 10.100 2315625 128.481 7.428 10.100 2315625 128.484 0.384 10.095 3234982 128.484 0.384 10.095 3234982 128.486 6.867 10.101 4336237 128.486 6.867 10.101 4336237 128.490 8.026 10.092 2133544 128.490 8.026 10.092 2133544 128.493 2.191 10.098 9502953 128.493 2.191 10.098 9502953 128.494 7.064 10.098 8308988 128.494 7.064 10.098 8308988 128.497 3.385 10.093 5568198 128.497 3.385 10.093 5568198 128.499 5.255 10.101 2885502 128.499 5.255 10.101 2885502 128.502 3.124 10.100 3412006 128.502 3.124 10.100 3412006 128.504 4.669 8.916 12708937 128.504 4.669 8.916 12708937 128.505 0.628 8.917 9887368 128.505 0.628 8.917 9887368 128.506 2.635 10.097 4141144 128.506 2.635 10.097 4141144 128.507 5.016 10.098 4860053 128.507 1.838 10.096 20313114 128.507 5.016 10.098 4860053 128.507 1.838 10.096 20313114 128.508 8.733 8.919 4473140 128.508 4.794 10.094 7364474 128.508 8.733 8.919 4473140 128.508 4.794 10.094 7364474 128.511 7.288 10.095 32564618 128.511 7.288 10.095 32564618 128.512 7.195 10.096 80919888 128.512 7.195 10.096 80919888 128.513 4.799 8.915 16493633 128.513 0.441 9.456 4578089 128.513 4.799 8.915 16493633 128.513 0.441 9.456 4578089 128.516 0.185 10.097 8639899 128.516 0.185 10.097 8639899 128.517 4.254 8.916 90862328 128.517 4.254 8.916 90862328 128.519 1.709 8.916 44487916 128.519 1.709 8.916 44487916 128.521 8.684 10.096 2532571 128.521 8.684 10.096 2532571 128.522 2.351 8.915 9720842 128.522 2.351 8.915 9720842 128.524 1.478 8.915 16369703 128.524 0.867 8.916 10465427 128.524 1.478 8.915 16369703 128.524 0.867 8.916 10465427 128.527 2.022 8.916 14840203 128.527 1.649 9.454 12890674 128.527 2.022 8.916 14840203 128.527 1.649 9.454 12890674 128.533 2.024 10.097 8288088 128.533 0.692 9.453 22826972 128.533 2.024 10.097 8186958 128.533 0.692 9.453 22826972 128.534 0.584 9.453 19981576 128.534 0.584 9.453 19981576 128.535 1.370 9.455 14745875 128.535 1.370 9.455 14745875 128.538 8.578 8.917 4050795 128.538 8.578 8.917 4050795 128.539 5.450 9.455 8497857 128.539 5.450 9.455 8497857 128.540 9.266 9.454 10073747 128.540 9.266 9.454 10073747 128.541 1.877 8.916 3539603 128.541 0.795 9.453 4630745 128.541 1.877 8.916 3539603 128.541 0.795 9.453 4630745 128.543 4.996 9.454 53818656 128.543 4.996 9.454 53818656 128.545 9.091 9.452 3451870 128.545 9.091 9.452 3450324 128.548 1.512 9.455 4059673 128.548 1.512 9.455 4059673 128.549 1.843 9.452 3449148 128.549 1.843 9.452 3440744 128.550 1.170 9.454 10441672 128.550 1.170 9.454 10441672 128.553 5.706 9.452 2067794 128.553 5.706 9.452 2067794 128.558 8.841 9.458 1986159 128.558 8.841 9.458 1986159 129.074 0.461 8.353 2129310 129.074 0.461 8.353 2129310 129.102 8.559 8.350 2618318 129.102 9.087 8.353 1803169 129.102 9.365 8.342 2071404 129.102 7.006 8.350 1477179 129.102 6.808 8.357 1061336 129.102 8.559 8.350 2618318 129.102 9.087 8.353 1803169 129.102 9.365 8.342 2071404 129.102 7.006 8.350 1477179 129.102 6.808 8.357 1061336 129.109 0.689 8.350 6831551 129.109 0.689 8.350 6831551 129.111 0.786 8.348 8518440 129.111 0.786 8.348 8518440 129.119 1.881 8.348 12836978 129.119 1.881 8.348 12836978 129.122 4.806 8.351 9278447 129.122 4.806 8.351 9278447 129.123 4.642 8.349 31581806 129.123 4.642 8.349 31581806 129.128 1.723 8.349 23230040 129.128 1.723 8.349 23230040 129.132 5.103 8.350 3697870 129.132 1.520 8.350 12586767 129.132 0.920 8.351 4713377 129.132 5.103 8.350 3697870 129.132 1.520 8.350 12586767 129.132 0.920 8.351 4713377 129.138 1.156 8.356 2792570 129.138 1.156 8.356 2792570 129.140 4.958 8.352 2335204 129.140 4.958 8.352 2335204 129.145 1.284 8.355 2594206 129.145 1.284 8.355 2594206 129.211 5.394 9.958 2066341 129.211 5.394 9.958 2066341 129.220 4.794 9.951 6438603 129.220 4.794 9.951 6438603 129.226 4.116 9.953 4424120 129.226 4.116 9.953 4424120 129.231 3.160 9.956 1912825 129.231 3.160 9.956 1912825 129.239 7.329 9.952 86560392 129.239 7.329 9.952 86560392 129.242 7.416 9.951 33926856 129.242 7.416 9.951 33926856 129.247 3.877 9.954 5047050 129.247 3.877 9.954 5047050 129.251 3.016 9.954 2842696 129.251 3.016 9.954 2842696 129.533 4.742 8.020 9439535 129.533 0.764 8.016 2941702 129.533 0.654 8.013 4278378 129.533 4.742 8.020 9439535 129.533 0.764 8.016 2941702 129.533 0.654 8.013 4278378 129.552 8.871 8.021 2671220 129.552 8.871 8.021 2671220 129.560 3.694 8.017 9739866 129.560 3.694 8.017 9739866 129.564 7.672 8.020 3330768 129.564 2.252 8.019 7183744 129.564 7.672 8.020 3330768 129.564 2.252 8.019 7183744 129.566 4.642 8.019 35588920 129.566 4.642 8.019 35588920 129.568 0.892 8.020 19388572 129.568 0.892 8.020 19388572 129.571 7.198 8.020 7017926 129.571 7.198 8.020 7017926 129.573 3.130 8.019 15808693 129.573 3.130 8.019 15808693 129.577 1.327 8.019 6207867 129.577 1.327 8.019 6207867 129.583 9.002 8.020 3581380 129.583 9.002 8.020 3581380 129.585 5.242 8.019 3387876 129.585 5.242 8.019 3387876 129.591 8.689 8.014 3756321 129.591 8.689 8.014 3756321 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 amide . 2400 . . . 16154 1 2 H 1 all . 3836 . . . 16154 1 3 H 1 amide . 10416 . . . 16154 1 stop_ save_ save_C13-noesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode C13-noesy _Spectral_peak_list.Entry_ID 16154 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details 'combined peak list from aliphatic noesy and aromatic noesy, but only aliph noesy spectrum details provided' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 11.888 2.861 0.710 16928672 11.928 0.898 0.710 186564704 11.935 8.575 0.711 22718502 11.946 1.649 0.710 131237768 11.949 9.132 0.712 27075230 11.950 4.831 0.708 46681296 11.952 4.093 0.711 80200784 11.953 1.230 0.710 171268128 11.957 3.520 0.711 21673956 11.969 7.935 0.711 13293079 12.545 9.028 0.390 8813803 12.563 6.907 0.389 11159286 12.573 4.790 0.387 14212071 12.595 7.932 0.389 14776048 12.606 1.351 0.388 84834136 12.608 0.227 0.385 157775632 12.612 1.844 0.388 47229920 12.619 3.142 0.387 51954068 12.623 4.112 0.388 23100310 12.628 0.885 0.388 43863616 12.639 7.203 0.387 8918569 12.779 0.759 0.473 242976352 12.779 1.000 0.479 31987670 12.779 1.140 0.476 37565660 12.779 1.440 0.479 62785584 12.779 1.682 0.482 19408664 12.779 2.026 0.482 37353948 12.779 3.279 0.476 44902344 12.779 3.828 0.473 21802622 12.779 7.499 0.479 17567204 13.099 3.586 0.725 29991626 13.099 4.202 0.725 27360736 13.099 5.396 0.716 21175466 13.099 8.473 0.728 14945825 13.099 9.228 0.722 13047548 13.099 8.979 0.725 6318006 13.176 8.896 0.782 8416874 13.208 9.690 0.769 10665777 13.211 0.509 0.640 202736880 13.211 1.205 0.646 62835632 13.211 1.689 0.640 115575880 13.225 6.768 0.773 48534092 13.228 -0.364 0.772 30300392 13.232 6.638 0.771 32734052 13.234 3.058 0.642 13340582 13.240 2.276 0.772 32997526 13.243 -0.113 0.772 79919888 13.258 9.366 0.643 16947546 13.265 3.261 0.642 28669160 13.270 8.982 0.644 41348360 13.287 5.404 0.642 40550960 13.292 9.883 0.642 17362506 13.321 3.576 0.643 17306254 13.342 9.232 0.645 8995056 13.481 1.723 0.782 101900856 13.756 3.579 0.797 9631646 13.829 4.009 0.794 10302023 13.837 8.029 0.797 18181640 13.839 1.480 0.795 127925256 13.845 3.042 0.796 13572648 13.863 4.598 0.791 6036770 13.865 9.373 0.802 6835200 13.887 5.457 0.795 17838902 14.402 3.442 0.628 18663416 14.415 3.822 0.630 9932577 14.417 5.044 0.628 24646246 14.425 -0.363 0.629 77557040 14.430 1.377 0.629 144044784 14.436 1.555 0.629 60820640 14.438 4.738 0.625 14367698 14.443 -0.110 0.629 35695512 14.461 8.661 0.629 8581305 14.467 1.901 0.629 15325084 14.482 6.707 0.629 8725763 14.683 4.040 0.630 6132556 15.438 1.461 0.800 17930494 15.513 9.100 0.805 8915145 15.530 7.058 0.801 10227117 15.545 8.383 0.802 16351667 15.551 4.665 0.802 25230654 15.552 2.788 0.801 32472650 15.557 4.666 0.673 21278080 15.570 3.086 0.800 27285740 15.571 1.721 0.802 127893088 15.573 0.072 0.675 11806058 15.574 1.908 0.802 87840560 15.574 9.117 0.678 7829695 15.577 0.485 0.802 193346912 15.585 0.678 0.806 218310832 15.585 0.832 0.683 204697200 15.585 3.255 0.804 10282461 15.586 0.311 0.676 53294684 15.587 9.369 0.675 48334856 15.589 1.875 0.677 36118320 15.590 1.702 0.676 155156288 15.595 1.192 0.675 30920342 15.596 0.527 0.675 147173568 15.597 3.255 0.664 7958889 15.597 5.132 0.801 24701682 15.609 5.438 0.674 13434596 15.614 8.374 0.675 8287266 15.630 5.445 0.807 6175286 15.647 8.971 0.807 7016458 15.649 5.114 0.672 7386530 16.795 7.407 0.898 11040144 16.830 1.770 0.894 151157664 16.830 1.389 0.891 99453664 16.940 2.276 0.895 43685356 16.949 3.575 0.894 40385372 17.108 7.992 0.889 28767074 17.162 4.671 0.888 141316976 17.185 4.817 0.885 57656920 17.196 8.572 0.880 45279780 17.196 10.162 0.883 12859589 17.196 9.209 0.880 19629270 17.196 0.711 0.889 269421888 17.267 4.091 0.886 70728448 17.316 3.254 0.885 23845242 17.332 3.049 0.883 22517988 17.760 3.258 0.481 36853980 17.760 8.017 0.482 15364692 17.763 5.449 0.479 10822229 17.768 9.876 0.479 11664653 17.770 4.008 0.483 35305672 17.773 1.662 0.482 114353416 17.773 8.364 0.481 13655970 17.794 8.547 0.696 87539312 17.801 7.449 0.697 46418900 17.805 1.850 0.696 29285460 17.805 2.151 0.696 39731768 17.805 2.356 0.693 65462024 17.805 3.828 0.696 25915662 17.805 4.282 0.702 34552812 17.808 6.945 0.697 15132302 17.811 1.814 0.863 130009664 17.811 1.286 0.869 62133748 17.811 8.458 0.854 27963258 17.811 7.616 0.860 11746014 17.811 4.231 0.860 67591344 17.811 3.579 0.851 10984689 17.811 2.854 0.857 12368214 17.811 2.341 0.857 23240236 17.811 2.546 0.857 9883199 17.845 0.694 0.478 185443296 17.999 1.833 0.518 69383024 18.310 1.000 0.552 53043948 18.310 2.019 0.555 63854380 18.310 1.433 0.549 19508290 18.310 4.627 0.564 23004886 18.310 8.781 0.564 73748360 18.310 9.037 0.564 24600428 18.310 9.250 0.558 7614030 18.330 7.961 0.560 15989802 18.443 4.767 1.322 13557301 18.444 0.684 1.326 92278136 18.444 5.258 1.326 37845460 18.448 0.914 1.326 77198368 18.448 3.991 1.326 126070272 18.448 3.344 1.328 7138242 18.449 4.245 1.327 43650032 18.449 8.573 1.326 13848472 18.454 7.652 1.326 83255248 18.462 7.919 1.327 49033092 18.479 0.759 0.447 269638976 18.479 1.455 0.444 20330646 18.479 2.011 0.444 76959848 18.479 2.803 0.444 13780923 18.479 3.074 0.444 9775994 18.479 3.828 0.444 40373620 18.479 7.074 0.447 16189910 18.479 7.462 0.441 24965130 18.479 8.539 0.444 16040233 18.512 3.158 1.326 10948617 18.549 1.267 0.851 52140576 18.596 1.475 0.850 47708672 18.642 3.576 0.851 23125048 18.698 1.719 0.850 112444728 18.711 9.366 0.851 37072672 18.719 5.448 0.850 66162316 18.722 8.025 0.852 19424334 18.760 4.661 0.849 9008962 18.774 4.011 0.848 10122127 18.838 6.963 0.766 9643108 18.880 1.074 0.766 254069648 18.885 2.214 0.766 30706836 18.885 1.744 0.767 41627364 18.888 8.363 0.766 86137624 18.893 7.519 0.766 43733716 18.895 1.987 0.766 112714544 18.895 4.216 0.766 81899384 18.902 1.965 0.607 12639944 18.904 1.563 0.767 28339324 18.909 3.953 0.767 46359044 18.923 9.096 0.610 12205373 18.957 4.600 0.767 19141444 18.960 8.834 0.605 40936376 18.966 2.197 0.605 23477924 18.966 4.729 0.605 15265946 18.972 6.696 0.605 74786752 18.973 5.045 0.604 63447216 18.974 -0.109 0.605 23457874 18.976 -0.363 0.605 100948952 18.978 1.560 0.605 109093256 18.999 2.731 0.605 25934894 19.005 1.387 0.605 53133672 19.018 8.663 0.605 16099878 19.821 6.624 0.642 14801831 19.862 5.034 0.641 14471224 19.876 8.714 0.642 57474620 19.882 2.026 0.641 14181897 19.890 4.658 0.642 26123844 19.892 2.270 0.642 76963336 19.893 4.303 0.642 49265252 19.897 1.836 0.643 10098962 19.905 1.677 0.643 21782094 19.941 8.204 0.643 6854981 19.993 8.687 0.519 7469218 20.095 2.047 0.515 10427300 20.118 7.106 0.514 11259537 20.123 9.299 0.516 8659228 20.130 0.127 0.515 128068328 20.136 2.228 0.514 35945288 20.138 6.881 0.516 8469580 20.140 6.379 0.514 10382887 20.144 7.961 0.515 37713304 20.150 4.628 0.514 9503654 20.153 8.450 0.515 16553054 20.157 1.860 0.515 18018296 20.157 4.767 0.511 24691568 20.172 7.392 0.516 21538154 20.186 9.072 0.524 6558742 20.760 1.292 -0.384 101916944 20.764 4.061 -0.384 71473872 20.765 0.639 -0.384 139911440 20.768 6.709 -0.384 34309468 20.770 -0.114 -0.384 138047840 20.770 0.941 -0.383 47234960 20.780 8.423 -0.384 16325506 20.781 0.781 -0.384 65702500 20.783 0.462 -0.384 25081974 20.784 9.695 -0.384 20690822 20.848 9.979 0.097 13248104 20.862 8.665 0.101 8192028 20.869 2.178 0.100 9032529 20.887 4.159 0.100 14893934 20.888 0.539 0.095 125327264 20.893 7.369 0.101 21724936 20.897 7.957 0.101 10996449 20.897 8.447 0.100 42851172 20.901 4.771 0.099 52343608 20.907 3.495 0.099 18013016 20.908 8.771 1.120 9643746 20.913 6.944 1.120 20513790 20.920 3.689 1.115 82712696 20.920 4.539 1.115 53678048 20.920 4.781 1.118 20916466 20.920 0.480 1.127 30360966 20.920 0.619 1.118 19673968 20.920 0.722 1.124 27512732 20.920 1.462 1.121 42169320 20.924 5.419 0.100 10230350 20.925 7.506 1.118 19688466 20.929 7.823 1.119 20542460 20.938 2.667 1.119 51222092 20.942 9.100 1.119 32984580 20.947 2.934 1.119 37188884 21.002 6.397 0.102 8642799 21.200 7.472 0.757 22954742 21.211 2.312 0.757 183457744 21.211 4.297 0.757 117940504 21.211 4.751 0.760 54212788 21.211 8.561 0.763 31009268 21.211 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12637309 62.690 8.459 4.103 69174248 62.697 5.346 4.103 23271294 62.721 0.067 4.103 35989256 62.746 7.601 4.102 11096488 63.223 0.502 3.926 15787650 63.233 7.508 3.927 21342250 63.244 1.067 3.927 110929496 63.246 1.988 3.927 72111208 63.256 8.363 3.926 39410796 63.312 0.788 3.926 51442112 63.497 2.169 3.814 7798489 63.505 7.251 3.885 12454058 63.507 8.660 3.814 22743442 63.508 7.250 3.815 12725339 63.518 4.371 3.814 88561896 63.527 4.828 3.817 34694724 63.527 8.682 3.890 18668250 63.529 4.370 3.886 82334688 63.561 2.163 3.887 6852016 63.625 4.802 3.888 37672352 63.669 7.690 4.141 9159502 63.671 7.687 4.180 8576296 63.676 4.597 4.181 55979100 63.677 4.816 4.139 38294408 63.677 4.596 4.140 54987584 63.683 7.958 4.137 15988281 63.685 4.817 4.180 38186660 63.685 7.964 4.179 15305968 63.709 6.893 4.131 7602886 63.766 9.439 4.180 6707245 63.783 6.896 4.185 7289718 63.786 9.441 4.138 8421520 63.995 0.724 3.904 21687660 64.011 0.844 3.905 38279660 64.043 0.726 3.974 19746216 64.069 0.844 3.975 33881776 64.090 5.144 3.904 16251267 64.092 5.147 3.975 20860272 64.093 4.763 3.976 23981504 64.106 8.192 3.902 27684542 64.117 8.207 3.977 32437100 64.145 8.740 3.900 13490806 64.184 8.754 3.975 10457943 64.272 4.806 3.553 30917952 64.284 0.527 3.555 6423782 64.288 1.389 3.555 31372172 64.290 4.106 3.553 91042752 64.292 4.500 3.554 85731408 64.292 7.409 3.555 44619548 64.292 9.033 3.554 57781268 64.292 0.907 3.555 45209172 64.293 1.627 3.555 18302326 64.295 1.780 3.554 41742488 64.340 2.314 3.554 9045674 65.569 1.494 3.484 8964488 65.612 0.747 3.480 29832980 65.635 0.748 3.563 24107796 65.636 4.819 3.481 13734877 65.642 9.113 3.480 9981751 65.648 1.292 3.562 19768148 65.649 1.279 3.480 22834796 65.653 5.368 3.562 13490317 65.657 1.492 3.562 11380825 65.657 8.713 3.564 15723332 65.658 8.718 3.482 8711867 65.662 5.364 3.479 15860518 65.672 4.822 3.565 19808804 65.674 4.281 3.566 8215392 65.686 9.109 3.561 6552052 65.722 7.953 3.563 5492848 65.724 1.725 3.563 6951060 65.728 0.925 3.825 11582920 65.730 5.109 3.483 6168132 65.748 8.919 3.827 6537280 65.762 4.709 3.825 118308560 65.769 4.528 3.565 5567692 65.776 8.660 3.824 62256616 65.782 0.662 3.825 5077727 65.789 1.810 3.824 20690446 65.791 8.224 3.825 20284710 65.839 5.035 3.824 10858936 65.856 1.664 3.468 6562697 65.879 1.565 3.821 10154984 66.868 9.873 3.241 17871494 66.869 1.667 3.241 41886768 66.869 1.452 3.240 20202774 66.875 0.515 3.241 99581608 66.876 1.998 3.237 11512201 66.880 0.671 3.242 56158044 66.900 7.499 3.238 9094422 69.696 1.090 4.412 178494960 69.697 4.819 4.413 41759124 70.039 4.605 4.196 50892936 70.047 1.986 4.196 53415144 70.054 1.118 4.196 70933208 70.058 0.787 4.196 56385248 70.071 8.367 4.196 17047534 70.147 6.955 4.196 13162130 70.172 3.970 4.197 12983526 71.952 4.814 3.657 36786672 71.960 8.769 3.657 40276368 71.963 1.134 3.657 94151208 71.963 1.024 3.655 66888028 71.966 0.618 3.657 27146700 71.972 4.579 3.658 29421438 72.522 8.894 3.394 7537597 72.533 8.212 3.394 23317580 72.587 4.819 3.394 27938240 72.588 0.214 3.394 70094968 72.589 0.879 3.393 6600543 72.596 4.346 3.394 19986514 72.597 0.530 3.390 6828191 72.609 5.044 3.394 27358348 72.642 2.044 3.396 8255328 w1 w2 w3 Data Height 114.336 0.108 7.418 3744144 114.385 7.058 7.278 32443038 114.420 10.102 7.284 9504027 114.447 0.904 7.251 10154376 114.463 0.747 7.252 8385670 114.488 1.283 7.256 6846748 114.505 7.139 7.422 25968512 114.539 9.955 7.423 9180915 114.632 0.505 7.423 3027755 118.106 0.893 6.781 2761168 118.185 2.183 6.707 2359958 118.185 1.714 6.707 2787338 118.282 0.751 6.703 3203965 118.285 4.804 6.711 4344771 118.352 6.993 6.787 94790184 118.363 2.609 6.785 3928324 118.378 0.927 6.699 2225760 118.400 4.798 6.787 17767412 118.407 4.571 6.787 4307882 118.407 2.733 6.788 4278505 118.470 1.741 6.788 4719826 118.968 0.383 7.193 3513052 119.201 4.796 7.192 13057954 119.227 3.126 7.192 8746148 119.241 0.386 7.194 3717052 120.141 6.747 7.321 2479831 120.571 0.865 7.327 4137264 120.653 7.331 6.765 12768864 120.750 0.861 6.767 3233772 120.890 6.766 7.324 10263819 120.937 1.339 7.682 2918846 120.980 6.885 7.680 10588752 121.015 4.092 7.068 2688760 121.032 4.128 7.682 5152948 121.039 4.739 7.681 9156242 121.080 0.241 7.682 2957382 121.103 3.124 7.682 2736115 121.105 2.608 6.767 2931338 121.121 8.996 7.682 2718322 121.143 7.060 6.772 6719719 121.161 0.384 7.672 1722434 121.168 3.691 7.680 3864781 121.411 6.885 7.682 8629253 121.625 2.975 7.080 2163912 121.909 7.684 6.880 7068804 122.259 1.326 6.887 2768134 122.309 0.371 6.883 4094561 122.378 4.154 6.883 3784986 122.399 7.041 6.882 26906832 122.588 0.248 6.889 3125483 122.604 7.681 6.882 13444793 123.502 3.230 6.888 4173148 123.598 8.616 6.894 4712937 123.609 5.175 6.895 18634748 123.696 10.104 6.894 22907340 123.703 0.876 6.896 3913232 123.713 1.888 6.896 8991321 123.805 7.417 7.140 23042958 123.839 2.481 6.893 4627544 123.843 2.985 7.146 4567294 123.921 2.912 6.902 2825015 124.328 1.292 7.062 4277180 124.342 0.750 7.065 5818418 124.470 0.889 7.059 5692037 124.506 7.270 7.054 43936256 124.604 6.900 7.051 39916844 127.175 3.137 7.197 7102362 127.193 2.646 7.196 6152170 127.201 3.699 7.193 3740551 127.228 3.334 7.199 4944814 127.250 5.236 7.195 7602860 127.258 8.022 7.194 5690977 127.360 4.164 7.331 3461524 127.392 5.395 7.327 2973651 127.472 9.954 7.331 25002594 127.515 3.036 7.331 6779796 127.517 3.713 7.197 3559261 127.530 10.101 7.199 20980184 127.539 8.707 7.201 2498089 127.542 8.027 7.198 5820324 127.545 5.236 7.199 8251909 127.549 0.107 7.333 4506674 127.570 0.512 7.320 2584265 127.594 8.645 7.332 5857917 128.699 0.892 6.595 11095485 128.704 6.736 6.597 15692247 128.708 0.743 6.597 4589748 128.836 1.793 6.590 2788920 128.851 -0.130 6.603 2931526 129.358 8.796 7.086 1767049 129.400 8.385 6.737 2767842 129.648 1.797 6.751 5425612 129.768 4.586 7.068 2907879 129.813 1.648 6.749 5462200 129.821 0.024 6.745 2036058 129.823 0.753 6.748 14540818 129.824 -0.129 6.748 3432118 129.848 0.865 6.751 9586521 129.924 6.616 6.749 33464750 129.948 8.385 6.750 3511968 131.107 2.766 7.049 5411272 131.192 2.015 7.069 2091126 131.192 0.711 7.044 6938581 131.293 5.423 7.047 5052900 131.347 3.090 7.044 4389202 131.654 0.284 6.600 4377541 131.676 1.618 6.596 19871902 131.682 9.410 6.602 2604728 131.707 6.730 6.596 29539036 131.707 0.785 6.597 12899794 131.720 2.427 6.593 10552024 131.725 2.530 6.597 10313465 131.730 8.567 6.597 6391629 131.751 0.046 6.598 5647404 131.787 1.179 6.600 2428902 131.913 4.995 6.595 2678335 131.992 5.858 6.615 2007619 132.132 9.393 6.583 2493668 132.926 8.421 6.993 4853290 132.951 1.767 6.997 7394771 132.999 2.608 6.998 19819272 133.010 6.796 6.996 93421032 133.015 2.081 6.997 2451381 133.028 4.564 6.996 14492192 133.029 4.794 6.999 6148032 133.038 2.693 6.997 19014814 133.039 2.418 6.995 3723148 133.121 0.891 6.995 2263537 133.329 4.116 6.663 3564475 133.352 0.749 6.662 4743351 133.355 2.173 6.665 5541414 133.392 0.606 6.662 5609358 133.394 2.725 6.674 2922860 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 aliphatic . 5966 . . . 16154 2 2 H 1 all . 10416 . . . 16154 2 3 H 1 aliphatic . 16666 . . . 16154 2 stop_ save_ save_4D-C13_Noesy _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D-C13_Noesy _Spectral_peak_list.Entry_ID 16154 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '4D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.504 15.816 2.150 4.483 -31824 13.617 25.214 0.874 1.885 -97604 13.617 29.803 1.852 1.878 -116134 13.617 14.045 4.566 1.878 -56624 13.617 14.080 4.566 2.495 -31019 13.617 25.352 0.865 2.494 -30637 13.617 32.603 0.707 1.617 96878 13.617 26.871 1.189 1.621 -62337 13.617 21.341 0.808 1.603 -120920 13.617 23.801 0.702 1.620 -93595 13.617 21.068 2.845 1.622 63412 13.617 23.286 2.521 5.844 -34102 13.617 21.601 0.763 5.843 37434 13.617 33.986 0.907 5.843 -33420 13.617 33.986 0.674 5.850 -17667 13.617 33.537 1.828 5.842 29741 13.617 33.986 6.440 5.829 41082 13.617 14.507 4.541 0.775 28629 13.617 29.199 1.666 0.783 -39629 13.617 21.332 0.757 0.769 -453746 13.617 30.359 2.227 4.486 24311 13.617 30.404 1.746 4.483 38760 13.617 15.682 2.140 4.418 -79107 13.617 15.881 1.967 4.485 -28349 13.617 19.474 4.423 4.428 -130634 13.617 21.078 4.420 4.437 -73793 13.617 28.141 4.408 4.425 -92874 13.617 21.257 1.072 4.427 -74653 13.617 32.141 1.976 4.418 54670 13.617 18.884 2.783 4.247 -70664 13.617 22.569 0.750 0.617 -187032 13.617 20.171 0.504 0.632 44670 13.779 29.254 1.620 1.612 -218818 13.804 33.586 2.354 1.742 -127373 13.805 26.581 1.016 0.779 344188 13.807 33.624 4.988 5.459 -53895 13.824 30.399 3.008 0.778 41484 13.836 20.664 4.254 1.725 -13615 13.836 26.564 1.443 0.779 224747 13.842 17.725 5.442 0.776 31062 13.849 31.878 2.117 4.440 -11931 13.854 21.692 1.683 0.779 -110832 13.879 17.275 4.763 0.410 -30588 13.912 13.617 1.619 5.465 -46858 13.934 23.938 0.695 5.462 38191 13.939 26.844 1.481 5.453 21873 13.972 26.794 1.183 5.459 24688 13.980 13.752 1.606 5.451 -41491 14.016 20.861 0.104 0.410 -57630 14.085 23.419 0.798 4.166 150519 14.086 21.055 0.857 4.440 -11439 14.104 21.779 1.515 4.167 -126991 14.116 26.935 1.562 4.166 43413 14.152 24.962 0.841 4.167 44910 14.247 14.420 4.567 1.996 -24113 14.349 29.324 2.017 4.494 14738 14.372 14.386 4.569 1.737 -30353 14.415 18.685 5.028 0.639 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21.364 0.807 2.020 -27095 14.761 20.728 -0.377 6.711 -33097 14.783 31.832 1.788 6.797 -18316 14.815 31.905 1.924 6.801 -13507 14.823 26.261 1.420 4.182 11197 14.839 22.488 0.986 5.397 18026 14.843 20.836 0.099 5.407 45966 14.843 127.270 0.332 5.408 -19565 14.855 29.927 2.187 4.150 59883 14.859 32.544 2.120 4.152 39837 14.865 30.332 3.109 5.411 53306 14.875 17.370 4.761 5.409 128764 14.876 32.469 2.459 4.148 46348 14.879 20.072 0.517 5.403 26579 14.933 29.923 1.885 4.160 39598 14.968 25.531 0.744 4.153 -12624 14.979 23.299 0.821 0.691 33515 15.010 17.729 0.699 2.180 -64769 15.058 23.451 0.801 0.803 -271661 15.094 22.420 0.723 2.030 -19621 15.097 33.148 1.852 2.095 -214026 15.098 32.260 4.738 2.139 104364 15.127 17.823 4.373 2.573 -29206 15.141 25.078 0.871 1.730 -36460 15.165 13.997 4.250 2.095 -90601 15.173 14.011 4.254 2.177 -89968 15.183 15.671 2.217 4.255 -79236 15.194 14.818 -0.214 4.574 -24863 15.199 33.596 2.355 1.742 -27960 15.209 15.829 2.155 3.938 -186164 15.223 33.986 4.715 2.188 148476 15.227 29.480 -0.001 4.567 -113758 15.230 26.030 0.778 2.188 -63993 15.232 33.280 1.995 2.188 -753839 15.235 23.155 1.867 2.187 24523 15.238 15.193 2.172 0.780 -69312 15.241 29.979 1.927 4.255 266055 15.253 15.224 2.163 0.673 -51788 15.257 19.079 2.687 4.568 -75622 15.268 27.329 2.080 3.937 136007 15.270 29.715 1.840 1.996 -269701 15.282 15.702 4.085 1.995 -65577 15.282 15.702 4.085 1.995 -65577 15.291 15.213 2.194 5.438 28695 15.294 15.163 2.165 5.133 30972 15.297 22.516 0.813 2.187 -55964 15.303 24.985 0.884 1.810 -50924 15.316 33.814 0.646 0.677 -156129 15.320 22.575 0.753 1.820 -41231 15.332 30.044 1.903 2.177 -708819 15.340 15.712 4.079 2.114 -68054 15.386 33.986 4.697 1.816 68592 15.401 15.182 2.186 4.392 32165 15.437 33.986 0.779 1.815 50416 15.472 21.247 1.071 2.181 -23947 15.513 32.464 1.677 0.685 19609 15.519 24.263 1.685 0.681 -44956 15.526 18.211 0.458 0.805 213583 15.530 14.569 2.008 0.806 -47176 15.532 33.484 0.478 0.680 -67754 15.533 19.249 4.640 0.803 62532 15.534 21.509 2.761 0.804 -40877 15.536 32.678 5.117 0.803 -60967 15.538 17.578 5.441 0.680 29440 15.541 21.195 1.669 0.805 -106066 15.543 32.295 0.550 0.680 30072 15.546 19.277 4.638 0.680 63102 15.547 29.429 1.865 0.805 107487 15.548 21.206 1.669 0.680 -119058 15.550 29.422 1.753 0.678 55576 15.551 21.525 3.051 0.807 -38243 15.552 33.647 1.843 0.678 21226 15.564 25.356 3.231 0.674 18053 15.567 15.261 4.247 2.188 -78965 15.568 25.702 0.288 0.680 77538 15.572 17.756 0.477 0.680 152151 15.575 17.852 1.765 1.806 29235 15.583 32.726 5.116 0.680 -25045 15.585 33.269 0.449 0.803 -167831 15.585 33.715 0.658 0.803 -38577 15.587 21.534 0.788 0.678 172758 15.598 26.296 0.595 0.680 43500 15.602 21.597 0.746 0.806 138632 15.638 22.408 0.044 0.680 18890 15.640 22.762 0.702 5.426 30029 15.674 29.733 1.836 4.091 211812 15.701 33.986 4.418 2.144 109309 15.707 13.617 0.644 1.597 -56934 15.711 17.754 0.483 1.603 -114807 15.723 25.368 3.242 1.594 -27925 15.736 15.278 2.020 4.093 -73126 15.739 15.827 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0.670 125745 26.788 29.747 1.647 1.480 86809 26.789 23.839 0.718 0.592 117889 26.807 27.770 1.386 0.589 144133 26.809 21.557 1.665 0.590 -87231 26.810 13.883 5.457 0.591 26772 26.817 24.027 0.677 1.188 53307 26.819 21.073 2.835 1.194 -55707 26.821 21.599 1.173 0.590 -69933 26.822 32.398 4.983 1.215 13410 26.823 22.423 0.043 0.589 170108 26.823 19.755 0.649 0.589 62508 26.823 23.102 2.706 0.591 -36171 26.835 25.013 -0.131 0.590 63850 26.843 21.405 1.538 0.869 -45446 26.846 20.686 -0.374 0.588 32530 26.857 23.158 2.168 0.588 -41289 26.875 29.791 -0.319 0.587 -16399 26.877 18.890 0.601 1.384 69943 26.929 20.663 4.201 1.023 22624 26.943 33.649 4.981 1.180 -17815 26.967 25.345 0.879 1.683 298146 26.984 24.149 3.511 1.231 18164 27.000 17.544 1.773 1.035 -29819 27.097 13.617 3.914 1.680 46198 27.099 32.712 0.700 1.238 -114038 27.099 17.321 0.895 1.238 71184 27.099 17.656 1.773 1.238 -55051 27.101 17.248 0.888 1.191 78774 27.112 17.625 4.067 1.190 41477 27.120 21.176 1.533 1.675 -78381 27.123 22.601 0.755 1.676 222338 27.145 17.664 1.742 1.188 -51364 27.151 21.004 1.296 1.680 -58438 27.303 15.749 2.152 2.097 -254156 27.326 18.394 0.454 0.729 46591 27.329 14.421 0.637 0.717 23832 27.329 14.589 1.989 0.717 -25060 27.329 20.667 3.816 0.717 42678 27.329 25.407 3.230 0.717 18923 27.352 27.363 1.423 0.730 101487 27.365 15.369 3.934 2.087 88974 27.379 19.142 4.249 7.057 -22872 27.463 24.829 0.850 0.847 -63215 27.620 131.063 0.056 7.056 445627 27.651 21.436 2.766 7.051 30964 27.705 22.823 0.695 7.051 -69212 27.735 15.835 5.438 7.050 -61558 27.735 15.835 5.438 7.050 -61558 27.745 21.444 3.068 7.053 27082 27.762 14.668 4.691 7.053 -26379 27.791 18.406 0.441 7.052 -28936 27.860 21.616 1.178 1.391 -40482 27.885 33.463 5.008 1.392 -64377 27.921 33.560 4.435 1.700 -79046 27.942 22.978 1.111 1.699 55736 27.951 15.078 2.307 2.183 -26422 28.013 15.139 2.590 2.189 -31960 28.044 17.813 4.372 2.191 58773 28.130 25.746 0.294 6.609 -26668 28.140 21.237 1.070 4.415 557882 28.141 19.477 4.425 4.415 348218 28.143 26.272 1.617 6.603 -55180 28.159 26.323 -0.251 6.604 64698 28.173 22.436 0.041 6.607 -49682 28.176 33.986 0.777 6.605 42375 28.184 13.617 2.045 2.164 -21795 28.193 23.195 2.477 6.602 33421 28.211 19.211 4.425 4.210 -11620 28.229 21.675 0.747 6.602 -29015 28.249 26.039 0.782 1.344 165415 28.251 23.956 0.694 1.346 145949 28.255 23.094 1.852 1.341 -66459 28.257 23.104 1.351 1.341 -98580 28.293 19.855 0.647 6.612 -25817 28.298 16.191 0.018 6.593 14762 28.306 16.609 3.699 1.995 55675 28.339 33.771 2.345 1.998 159256 28.339 33.938 2.052 1.998 123832 28.339 25.741 0.993 1.998 27218 28.341 33.986 2.045 2.011 128782 28.424 20.095 4.075 1.321 32570 28.445 17.964 0.518 1.329 39644 28.446 33.210 0.385 1.324 -90740 28.447 22.667 3.007 1.341 -16825 28.464 28.432 0.244 1.326 60285 28.465 19.861 1.842 1.327 -27963 28.482 21.353 0.180 1.330 19078 28.486 18.822 0.769 4.198 125609 28.490 21.702 1.044 4.195 66973 28.504 20.136 4.587 4.199 145165 28.507 31.652 1.968 4.200 87816 28.521 23.010 1.112 4.199 153179 28.615 21.809 3.907 4.208 27692 28.809 23.967 0.693 1.231 29596 28.810 23.995 0.687 1.530 24931 28.842 26.043 0.776 1.238 36365 28.889 32.349 1.794 1.235 39355 28.903 33.986 4.853 1.545 -27754 28.907 22.599 3.057 1.231 -59501 28.911 22.633 3.037 1.537 -57029 28.928 26.050 0.775 1.535 34446 28.940 33.986 4.854 1.232 -35503 28.998 28.805 1.796 1.262 11783 28.999 33.883 4.840 1.527 -22888 29.010 17.829 4.579 1.756 31863 29.024 29.119 1.698 4.195 17562 29.072 21.139 2.921 1.742 -190968 29.073 32.388 1.589 1.758 59021 29.075 33.986 2.342 2.031 326096 29.075 33.827 2.345 2.031 326096 29.082 18.073 4.089 1.760 39275 29.087 22.682 3.537 1.756 22524 29.124 32.375 1.821 1.757 70976 29.132 21.099 2.919 1.664 -383044 29.147 29.122 1.658 1.294 -54221 29.329 21.287 1.667 1.749 -30072 29.398 15.821 2.381 6.998 17120 29.409 15.539 0.782 1.757 60321 29.414 22.678 3.209 6.995 19472 29.448 16.143 0.015 6.690 28586 29.451 13.617 4.031 1.850 13956 29.471 15.867 2.716 6.997 18361 29.499 26.293 1.686 7.000 -19562 29.504 19.100 2.635 7.000 103890 29.508 15.221 4.565 7.000 -137933 29.509 31.746 1.787 7.001 -22731 29.511 14.734 -0.207 7.002 500343 29.573 29.472 3.660 1.857 -41236 29.593 33.651 4.555 1.856 -77892 29.605 21.745 2.414 1.281 -17926 29.659 21.743 2.405 0.907 -15814 29.661 32.656 0.714 1.633 -38969 29.661 24.626 1.439 1.633 105190 29.737 26.839 1.193 1.636 48193 29.742 23.084 2.723 6.680 22662 29.777 21.745 2.620 1.275 -22866 29.779 16.000 4.109 6.681 -41634 29.784 29.806 1.878 1.263 -60541 29.810 21.354 0.699 1.632 46183 29.816 22.753 0.751 6.674 -51718 29.827 20.769 -0.386 6.677 -23147 29.828 14.664 -0.291 6.678 74236 29.829 20.033 0.519 1.855 35713 29.829 21.037 2.832 1.464 -60843 29.831 18.974 0.611 6.677 -60795 29.841 25.051 0.993 1.458 27022 29.856 29.765 1.872 0.927 -20933 29.872 32.424 2.453 2.194 48608 29.872 32.535 2.111 2.190 79760 29.872 21.319 0.693 1.462 48502 29.876 27.177 1.931 3.434 -75589 29.881 22.770 0.737 1.856 61693 29.885 23.070 2.177 6.676 24945 29.895 31.566 4.740 3.439 76194 29.917 14.853 4.149 2.198 54371 29.925 16.071 5.123 6.682 -22963 29.936 23.220 0.915 3.433 -66791 29.943 14.037 4.251 1.853 108613 29.944 21.169 2.861 1.627 -218387 29.950 14.565 0.637 3.430 -22744 29.979 25.084 0.870 1.437 23568 29.983 15.247 4.248 1.932 210884 30.172 15.271 2.148 1.299 17922 30.329 15.699 4.359 3.127 132448 30.367 30.282 3.708 3.129 106827 30.437 16.638 3.698 2.500 53116 30.456 21.914 0.713 2.503 98910 30.459 22.539 0.745 2.505 101283 30.503 22.486 0.998 4.648 -302994 30.692 21.066 1.018 3.376 -11152 30.753 19.231 2.320 5.719 41551 30.782 32.256 4.733 1.815 -77221 30.793 23.897 0.668 5.718 -29415 30.821 32.910 2.008 2.523 -89722 30.821 30.774 2.548 1.825 -77677 30.823 30.030 3.668 1.816 -33255 30.832 54.679 4.861 5.714 61576 30.832 33.986 4.861 5.714 61576 30.846 19.243 2.965 5.716 25187 30.963 17.809 0.515 3.394 28176 31.011 21.696 2.629 5.251 52571 31.016 23.703 0.196 5.246 51770 31.030 21.664 3.316 5.249 61990 31.048 18.354 1.332 5.249 -104841 31.062 33.615 5.040 3.395 -41359 31.063 20.220 4.327 3.393 56324 31.064 21.296 0.183 3.394 206784 31.117 33.665 2.020 3.397 33015 31.186 21.375 0.860 3.393 34550 31.434 21.074 0.043 7.292 -288579 31.484 18.751 -0.124 7.296 -22056 31.515 23.336 0.724 7.240 66882 31.515 23.336 0.724 7.240 66882 31.515 23.336 0.724 7.240 66882 31.544 19.082 4.651 2.259 48464 31.546 25.808 1.273 7.240 21779 31.555 16.856 0.898 2.256 43766 31.562 25.212 0.895 7.241 66221 31.574 22.624 0.845 2.258 62328 31.592 23.216 0.916 4.752 -203821 31.609 19.824 0.647 2.262 69292 31.640 29.914 3.440 4.745 89671 31.665 21.718 1.042 1.974 132728 31.672 119.446 6.944 7.260 37988 31.677 28.511 4.195 1.971 93599 31.678 21.738 3.922 1.975 101109 31.687 25.811 0.281 5.323 -17365 31.691 15.983 6.944 7.240 33112 31.691 20.834 0.045 7.240 -108720 31.694 18.809 0.768 1.975 119992 31.713 26.341 1.673 1.796 109830 31.717 21.250 4.112 5.329 -28242 31.731 22.431 0.040 5.323 -98993 31.731 24.879 1.186 5.320 -16823 31.759 20.792 3.054 4.639 46046 31.775 22.336 0.739 5.332 -18130 31.784 22.658 3.195 1.792 -64989 31.785 24.163 1.714 5.319 13847 31.791 13.617 0.946 7.295 34795 31.791 32.424 0.537 1.805 11711 31.800 33.986 0.937 7.296 -37292 31.962 29.520 3.686 1.781 -43635 31.967 17.309 0.892 4.647 -124310 31.972 23.870 0.660 1.783 29845 31.986 33.744 4.393 1.976 -77608 32.008 20.878 3.241 4.633 44016 32.012 20.869 4.394 1.764 148456 32.012 20.869 4.394 1.764 148456 32.015 33.746 4.398 1.812 -65303 32.018 29.862 3.427 1.755 -29073 32.024 21.231 0.708 4.643 -50965 32.028 27.164 1.895 1.768 356321 32.058 29.893 3.439 2.249 -20094 32.081 20.711 4.372 2.252 206589 32.087 29.945 3.778 2.246 -30212 32.110 32.107 1.750 2.250 443373 32.116 26.056 0.779 1.782 17172 32.121 26.972 1.931 4.740 -69754 32.132 21.400 0.696 0.707 -47522 32.135 29.932 3.740 4.742 271482 32.152 27.164 1.944 2.252 218392 32.175 18.806 0.770 1.744 34128 32.223 35.770 2.128 4.739 95912 32.239 33.321 5.012 1.783 -18818 32.243 30.811 1.885 4.740 -132543 32.291 29.912 3.744 1.729 -37090 32.293 29.040 1.707 1.586 71960 32.294 24.203 3.808 1.799 28967 32.315 28.947 1.233 1.803 39049 32.321 22.643 3.055 1.803 -70696 32.337 22.682 3.550 1.588 27122 32.343 27.082 1.923 1.972 46395 32.349 20.441 4.065 1.763 13068 32.354 18.059 4.089 1.583 92032 32.355 33.986 4.859 1.797 -44450 32.359 18.021 4.087 1.833 86096 32.364 32.361 1.821 1.586 336755 32.371 25.406 1.383 1.588 215083 32.378 24.610 1.470 1.784 117016 32.398 14.826 4.143 2.471 43810 32.401 21.142 2.926 1.591 -34932 32.405 21.108 2.922 1.833 -45425 32.420 17.377 4.213 1.829 61490 32.431 33.442 2.376 2.467 39253 32.435 29.946 1.868 2.451 28823 32.459 29.896 2.177 2.462 45390 32.473 32.503 2.145 1.589 25927 32.484 21.049 2.884 1.753 -41620 32.538 22.649 0.748 2.465 23349 32.576 24.641 1.445 3.970 -42525 32.591 17.630 4.072 0.714 -244573 32.604 17.291 0.894 0.714 -396299 32.604 33.986 1.616 0.713 -93473 32.614 30.540 4.830 0.716 72570 32.617 123.532 -0.103 5.179 100533 32.619 32.643 0.714 2.453 19092 32.620 24.071 3.519 0.715 -43878 32.623 27.100 1.212 0.711 -285621 32.626 29.718 1.653 0.714 -99165 32.627 31.349 3.234 5.180 -49992 32.628 21.308 0.858 5.174 -30093 32.633 31.352 2.894 5.178 -31649 32.637 24.686 1.179 0.712 -43983 32.646 18.346 1.333 3.972 -282916 32.649 21.097 2.837 0.714 67777 32.658 31.999 4.640 0.712 30870 32.660 13.834 5.458 0.714 -23535 32.680 16.936 5.328 0.710 -21712 32.688 58.748 4.226 3.972 -145531 32.703 31.744 1.770 5.124 -50225 32.704 16.458 0.986 4.649 13723 32.709 15.500 0.794 5.123 -55248 32.720 32.519 1.831 3.973 -53558 32.724 17.604 1.751 0.714 80355 32.724 29.433 1.757 5.124 -39684 32.726 32.629 0.704 1.583 38048 32.733 23.360 0.727 4.991 -71627 32.785 25.965 0.732 0.717 -207764 32.808 29.136 1.678 3.971 -41796 32.899 20.412 2.626 4.858 204563 32.904 21.579 0.747 5.120 -30080 32.906 21.280 0.870 4.858 -116181 32.911 15.185 2.153 0.710 32349 32.918 33.605 5.013 0.709 21837 32.945 32.981 2.084 4.487 24542 32.963 16.280 3.097 4.510 141216 32.964 16.289 2.796 4.510 133790 32.980 15.281 2.163 2.466 -42642 32.994 22.876 0.740 5.104 -23344 33.005 26.732 1.457 4.498 -41041 33.008 25.931 0.731 4.495 -54433 33.014 16.685 2.039 1.928 -47846 33.018 21.306 0.865 1.726 -33620 33.020 15.223 2.174 1.525 106802 33.024 22.509 0.824 4.497 -256677 33.026 22.247 1.478 4.497 66311 33.036 22.004 0.710 0.374 15082 33.040 19.514 3.976 1.922 58018 33.049 21.316 0.779 1.925 210379 33.061 33.029 4.851 5.102 86697 33.062 23.893 0.694 0.702 -290933 33.067 21.206 1.086 1.720 -65271 33.077 15.659 2.160 4.507 56868 33.102 32.759 2.094 0.481 -31780 33.109 22.160 4.161 0.387 -19742 33.118 14.656 1.728 0.393 30231 33.149 22.284 1.327 4.499 45200 33.190 21.005 1.098 0.471 -169428 33.192 32.168 3.110 0.391 -98541 33.192 16.270 4.737 0.386 -25143 33.195 19.897 1.836 0.390 125085 33.196 17.925 0.520 0.390 -360900 33.196 21.070 2.891 4.496 21302 33.198 20.596 0.960 4.048 39084 33.199 18.891 -0.132 0.391 29910 33.205 28.439 1.325 0.391 -151109 33.206 28.434 0.247 0.391 -142730 33.210 21.297 0.863 0.391 -129847 33.211 20.070 4.066 0.391 -74922 33.214 31.066 3.387 0.391 -23988 33.215 21.291 0.182 0.390 -187083 33.227 24.919 -0.129 4.045 -31339 33.290 20.721 -0.379 4.048 -191519 33.293 20.265 4.551 0.483 -17661 33.295 23.247 1.787 4.713 38860 33.318 33.986 0.730 1.521 38198 33.327 22.691 3.202 4.359 75225 33.330 24.857 0.885 4.717 -145834 33.334 26.178 0.605 0.483 -225957 33.336 23.238 1.490 4.717 31471 33.344 32.404 1.665 0.481 -26094 33.365 33.583 2.352 1.513 -37636 33.387 18.344 0.447 0.481 -333493 33.389 26.471 0.465 5.017 -67150 33.393 27.305 0.709 0.481 -254107 33.398 20.591 1.304 4.048 34400 33.402 14.544 2.001 0.482 122236 33.405 25.363 3.246 0.482 -140008 33.405 30.418 3.652 0.480 -33421 33.410 27.380 1.421 0.480 -184685 33.413 25.853 0.937 4.712 -40965 33.413 26.912 1.425 4.712 -35203 33.414 31.742 1.936 4.361 -88609 33.421 22.509 1.003 0.483 -128486 33.423 20.694 3.799 0.480 -112886 33.429 15.525 0.793 0.482 -194568 33.438 21.624 1.659 5.016 25757 33.450 29.868 2.206 5.002 -19281 33.459 22.720 0.730 0.482 -200107 33.460 18.733 5.031 5.008 -38676 33.473 26.606 0.578 5.004 -64067 33.518 26.020 0.784 5.000 -40162 33.519 21.534 1.166 5.007 20884 33.529 21.590 0.745 0.482 -153486 33.533 27.164 1.880 4.559 -43112 33.552 28.043 1.356 5.005 -60927 33.555 23.933 0.694 5.002 -129291 33.573 29.882 1.462 0.711 -27587 33.574 33.556 2.091 4.484 11421 33.576 29.439 3.678 4.559 388791 33.585 25.622 1.563 4.948 79306 33.588 13.910 5.459 5.000 -50572 33.594 29.588 2.027 4.560 -104007 33.597 23.116 1.349 5.001 25133 33.598 29.646 1.864 4.560 -85673 33.610 21.728 1.711 4.994 23466 33.614 15.267 2.265 4.560 114121 33.615 21.184 0.764 4.731 -117475 33.629 21.296 0.836 0.707 -168200 33.651 17.543 1.777 0.709 101441 33.651 21.625 1.684 0.711 30369 33.652 18.033 0.842 0.709 -310093 33.667 20.197 4.369 1.819 42601 33.677 21.602 0.723 1.829 190800 33.700 25.005 3.541 0.709 41080 33.704 33.986 0.711 1.823 46294 33.719 20.642 4.208 0.709 -81409 33.719 18.274 0.566 1.831 42281 33.722 26.999 1.162 5.015 -12479 33.764 15.241 2.185 4.719 135228 33.781 26.923 1.018 0.708 -182026 33.793 15.878 2.724 4.007 134240 33.794 15.936 2.397 4.009 83660 33.800 20.712 -0.376 0.780 -75082 33.838 32.070 1.815 4.425 -55506 33.986 15.708 2.141 4.419 110756 33.986 21.287 1.069 4.426 56708 33.986 25.851 0.970 4.422 -42322 33.986 24.652 1.534 4.432 -46131 33.986 27.924 1.688 4.434 -53140 33.986 32.125 1.974 4.417 -79759 33.986 32.241 2.199 4.435 -32506 33.986 28.142 4.407 4.425 74377 33.986 21.075 4.425 4.438 55858 33.986 19.485 4.422 4.428 100694 33.986 20.698 -0.386 0.631 59347 33.986 24.963 -0.129 0.635 35590 33.986 20.842 0.102 0.648 -29866 33.986 23.805 0.627 0.636 350813 33.986 19.791 0.645 0.648 237655 33.986 17.722 0.479 0.648 -208224 33.986 15.635 0.683 0.642 -149763 33.986 24.725 1.179 0.649 -113891 33.986 32.369 1.674 0.648 -111313 33.986 25.348 3.246 0.649 -58120 33.986 25.015 3.534 0.654 26307 33.986 33.986 4.681 0.634 -23772 33.986 24.923 5.352 0.646 32203 33.986 17.668 5.440 0.646 -50362 33.986 33.271 1.997 4.721 -153939 33.986 25.112 0.873 0.708 -257934 33.986 18.362 1.330 0.723 94063 33.986 21.059 0.754 0.389 27544 33.986 17.238 4.778 0.408 13922 33.986 21.309 0.841 1.721 81884 33.986 29.168 1.663 1.667 281868 33.986 24.982 -0.128 0.781 -158905 33.986 31.491 2.260 0.777 -42493 33.986 15.336 1.808 4.702 75882 33.986 15.243 2.170 1.523 -225609 38.910 57.642 4.725 1.332 15065 59.430 64.102 3.545 4.091 221103 75.372 15.716 1.597 0.648 0 114.345 20.395 0.145 7.420 -272896 121.249 20.388 7.112 7.074 60442 123.858 123.851 7.139 7.142 666831 127.399 30.266 3.012 7.329 -26045 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 aliphatic . 3131 . . . 16154 3 2 C 13 aliphatic . 3131 . . . 16154 3 3 H 1 aliphatic . 4197 . . . 16154 3 4 H 1 aliphatic . 8000 . . . 16154 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $TOPSPIN . . 16154 3 stop_ save_