data_16051 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16051 _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 2008-12-03 _Entry.Accession_date 2008-12-03 _Entry.Last_release_date 2011-02-24 _Entry.Original_release_date 2011-02-24 _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. . 16051 2 Keyang Ding . . . 16051 3 Melissa Magliqui . . . 16051 4 Mei Jiang . . . 16051 5 Colleen Ciccosanti . . . 16051 6 Rong Xiao . . . 16051 7 Jinfeng Lui . . . 16051 8 John Everett . K. . 16051 9 G.V.T. Swapna . . . 16051 10 Thomas Acton . B. . 16051 11 Burkhardt Rost . . . 16051 12 Gaetano Montelione . T. . 16051 13 Michael Kennedy . A. . 16051 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16051 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 16051 'nucleic acid binding protein' . 16051 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16051 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 463 16051 '15N chemical shifts' 119 16051 '1H chemical shifts' 769 16051 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 1 . . 2011-02-24 2008-12-03 original author . 16051 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KBN 'BMRB Entry Tracking System' 16051 PDB 2KEN 'BMRB Entry Tracking System' 16051 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16051 _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. . 16051 1 2 Theresa Ramelot . A. . 16051 1 3 Keyang Ding . . . 16051 1 4 Melissa Magliqui . . . 16051 1 5 Mei Jiang . . . 16051 1 6 Colleen Ciccosanti . . . 16051 1 7 Rong Xiao . . . 16051 1 8 Jinfeng Lui . . . 16051 1 9 John Everett . K. . 16051 1 10 G.V.T. Swapna . . . 16051 1 11 Thomas Acton . B. . 16051 1 12 Burkhardt Rost . . . 16051 1 13 Gaetano Montelione . T. . 16051 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 16051 1 'OB domain' 16051 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16051 _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 MM0293 1 $MM0293 A . yes native no no . . . 16051 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MM0293 _Entity.Sf_category entity _Entity.Sf_framecode MM0293 _Entity.Entry_ID 16051 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MM0293 _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 1 _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 . _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 16154 . OB-domain . . . . . 100.00 109 100.00 100.00 6.10e-71 . . . . 16051 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 . . . . 16051 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 . . . . 16051 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'nucleic acid binding protein' 16051 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 . 16051 1 2 . GLU . 16051 1 3 . PRO . 16051 1 4 . GLN . 16051 1 5 . LEU . 16051 1 6 . THR . 16051 1 7 . LYS . 16051 1 8 . ILE . 16051 1 9 . VAL . 16051 1 10 . ASP . 16051 1 11 . ILE . 16051 1 12 . VAL . 16051 1 13 . GLU . 16051 1 14 . ASN . 16051 1 15 . GLY . 16051 1 16 . GLN . 16051 1 17 . TRP . 16051 1 18 . ALA . 16051 1 19 . ASN . 16051 1 20 . LEU . 16051 1 21 . LYS . 16051 1 22 . ALA . 16051 1 23 . LYS . 16051 1 24 . VAL . 16051 1 25 . ILE . 16051 1 26 . GLN . 16051 1 27 . LEU . 16051 1 28 . TRP . 16051 1 29 . GLU . 16051 1 30 . ASN . 16051 1 31 . THR . 16051 1 32 . HIS . 16051 1 33 . GLU . 16051 1 34 . SER . 16051 1 35 . ILE . 16051 1 36 . SER . 16051 1 37 . GLN . 16051 1 38 . VAL . 16051 1 39 . GLY . 16051 1 40 . LEU . 16051 1 41 . LEU . 16051 1 42 . GLY . 16051 1 43 . ASP . 16051 1 44 . GLU . 16051 1 45 . THR . 16051 1 46 . GLY . 16051 1 47 . ILE . 16051 1 48 . ILE . 16051 1 49 . LYS . 16051 1 50 . PHE . 16051 1 51 . THR . 16051 1 52 . ILE . 16051 1 53 . TRP . 16051 1 54 . LYS . 16051 1 55 . ASN . 16051 1 56 . ALA . 16051 1 57 . GLU . 16051 1 58 . LEU . 16051 1 59 . PRO . 16051 1 60 . LEU . 16051 1 61 . LEU . 16051 1 62 . GLU . 16051 1 63 . GLN . 16051 1 64 . GLY . 16051 1 65 . GLU . 16051 1 66 . SER . 16051 1 67 . TYR . 16051 1 68 . LEU . 16051 1 69 . LEU . 16051 1 70 . ARG . 16051 1 71 . SER . 16051 1 72 . VAL . 16051 1 73 . VAL . 16051 1 74 . VAL . 16051 1 75 . GLY . 16051 1 76 . GLU . 16051 1 77 . TYR . 16051 1 78 . ASN . 16051 1 79 . ASP . 16051 1 80 . ARG . 16051 1 81 . PHE . 16051 1 82 . GLN . 16051 1 83 . VAL . 16051 1 84 . GLN . 16051 1 85 . VAL . 16051 1 86 . ASN . 16051 1 87 . LYS . 16051 1 88 . ASN . 16051 1 89 . SER . 16051 1 90 . SER . 16051 1 91 . ILE . 16051 1 92 . GLU . 16051 1 93 . LYS . 16051 1 94 . LEU . 16051 1 95 . SER . 16051 1 96 . GLU . 16051 1 97 . PRO . 16051 1 98 . ILE . 16051 1 99 . GLU . 16051 1 100 . VAL . 16051 1 101 . GLY . 16051 1 102 . LEU . 16051 1 103 . GLU . 16051 1 104 . HIS . 16051 1 105 . HIS . 16051 1 106 . HIS . 16051 1 107 . HIS . 16051 1 108 . HIS . 16051 1 109 . HIS . 16051 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 16051 1 . GLU 2 2 16051 1 . PRO 3 3 16051 1 . GLN 4 4 16051 1 . LEU 5 5 16051 1 . THR 6 6 16051 1 . LYS 7 7 16051 1 . ILE 8 8 16051 1 . VAL 9 9 16051 1 . ASP 10 10 16051 1 . ILE 11 11 16051 1 . VAL 12 12 16051 1 . GLU 13 13 16051 1 . ASN 14 14 16051 1 . GLY 15 15 16051 1 . GLN 16 16 16051 1 . TRP 17 17 16051 1 . ALA 18 18 16051 1 . ASN 19 19 16051 1 . LEU 20 20 16051 1 . LYS 21 21 16051 1 . ALA 22 22 16051 1 . LYS 23 23 16051 1 . VAL 24 24 16051 1 . ILE 25 25 16051 1 . GLN 26 26 16051 1 . LEU 27 27 16051 1 . TRP 28 28 16051 1 . GLU 29 29 16051 1 . ASN 30 30 16051 1 . THR 31 31 16051 1 . HIS 32 32 16051 1 . GLU 33 33 16051 1 . SER 34 34 16051 1 . ILE 35 35 16051 1 . SER 36 36 16051 1 . GLN 37 37 16051 1 . VAL 38 38 16051 1 . GLY 39 39 16051 1 . LEU 40 40 16051 1 . LEU 41 41 16051 1 . GLY 42 42 16051 1 . ASP 43 43 16051 1 . GLU 44 44 16051 1 . THR 45 45 16051 1 . GLY 46 46 16051 1 . ILE 47 47 16051 1 . ILE 48 48 16051 1 . LYS 49 49 16051 1 . PHE 50 50 16051 1 . THR 51 51 16051 1 . ILE 52 52 16051 1 . TRP 53 53 16051 1 . LYS 54 54 16051 1 . ASN 55 55 16051 1 . ALA 56 56 16051 1 . GLU 57 57 16051 1 . LEU 58 58 16051 1 . PRO 59 59 16051 1 . LEU 60 60 16051 1 . LEU 61 61 16051 1 . GLU 62 62 16051 1 . GLN 63 63 16051 1 . GLY 64 64 16051 1 . GLU 65 65 16051 1 . SER 66 66 16051 1 . TYR 67 67 16051 1 . LEU 68 68 16051 1 . LEU 69 69 16051 1 . ARG 70 70 16051 1 . SER 71 71 16051 1 . VAL 72 72 16051 1 . VAL 73 73 16051 1 . VAL 74 74 16051 1 . GLY 75 75 16051 1 . GLU 76 76 16051 1 . TYR 77 77 16051 1 . ASN 78 78 16051 1 . ASP 79 79 16051 1 . ARG 80 80 16051 1 . PHE 81 81 16051 1 . GLN 82 82 16051 1 . VAL 83 83 16051 1 . GLN 84 84 16051 1 . VAL 85 85 16051 1 . ASN 86 86 16051 1 . LYS 87 87 16051 1 . ASN 88 88 16051 1 . SER 89 89 16051 1 . SER 90 90 16051 1 . ILE 91 91 16051 1 . GLU 92 92 16051 1 . LYS 93 93 16051 1 . LEU 94 94 16051 1 . SER 95 95 16051 1 . GLU 96 96 16051 1 . PRO 97 97 16051 1 . ILE 98 98 16051 1 . GLU 99 99 16051 1 . VAL 100 100 16051 1 . GLY 101 101 16051 1 . LEU 102 102 16051 1 . GLU 103 103 16051 1 . HIS 104 104 16051 1 . HIS 105 105 16051 1 . HIS 106 106 16051 1 . HIS 107 107 16051 1 . HIS 108 108 16051 1 . HIS 109 109 16051 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 16051 _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 $MM0293 . 2209 archeon . 'Methanosarcina mazei' 'Methanosarcina mazei' . . Archaea . Methanosarcina mazei Goe1 . . . . . . . . . . . . . . . MM0293 . . . . 16051 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 16051 _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 $MM0293 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21-23C . . . . . . 16051 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16051 _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 $MM0293 . . 1.2 . . mM . . . . 16051 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16051 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16051 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16051 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16051 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16051 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16051 _Sample.ID 2 _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 $MM0293 . . 1.2 . . mM . . . . 16051 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16051 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16051 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16051 2 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16051 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16051 2 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 16051 _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 16051 1 pH 6.5 . pH 16051 1 pressure 1 . atm 16051 1 temperature 293 . K 16051 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16051 _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' . . 16051 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16051 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16051 _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 . . 16051 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16051 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16051 _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' . . 16051 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16051 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16051 _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' . . 16051 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16051 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16051 _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' . . 16051 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16051 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16051 _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' . . 16051 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16051 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16051 _Software.ID 7 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16051 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16051 7 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16051 _Software.ID 8 _Software.Name 'X-PLOR NIH' _Software.Version 2.2.1 _Software.Details 'structure refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16051 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16051 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16051 _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 16051 _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 16051 _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 . . . 16051 1 2 spectrometer_2 Varian INOVA . 600 . . . 16051 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 16051 _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 . . . . . . . . . . . . . . . . 16051 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16051 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 1 13 '4D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16051 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 16051 _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 . . . 1 $citation_1 . . 1 $citation_1 16051 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citation_1 . . 1 $citation_1 16051 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 16051 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 16051 _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' . . . 16051 1 2 '3D HNCA' . . . 16051 1 3 '3D HNCACB' . . . 16051 1 4 '3D CBCA(CO)NH' . . . 16051 1 5 '3D HCCH-TOCSY' . . . 16051 1 6 '3D H(CCO)NH' . . . 16051 1 7 '3D C(CO)NH' . . . 16051 1 8 '3D 1H-15N NOESY' . . . 16051 1 9 '3D 1H-13C NOESY' . . . 16051 1 13 '4D 1H-13C NOESY' . . . 16051 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 . . 16051 1 2 $SPARKY . . 16051 1 3 $AutoAssign . . 16051 1 4 $AutoStructure . . 16051 1 5 $CYANA . . 16051 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 . 16051 1 2 . 1 1 3 3 PRO HB2 H 1 1.78 0.02 . 2 . . . . 3 PRO HB2 . 16051 1 3 . 1 1 3 3 PRO HB3 H 1 2.09 0.02 . 2 . . . . 3 PRO HB3 . 16051 1 4 . 1 1 3 3 PRO HD2 H 1 3.63 0.02 . 2 . . . . 3 PRO HD2 . 16051 1 5 . 1 1 3 3 PRO HD3 H 1 3.71 0.02 . 2 . . . . 3 PRO HD3 . 16051 1 6 . 1 1 3 3 PRO HG2 H 1 1.97 0.02 . 2 . . . . 3 PRO HG2 . 16051 1 7 . 1 1 3 3 PRO HG3 H 1 1.87 0.02 . 2 . . . . 3 PRO HG3 . 16051 1 8 . 1 1 3 3 PRO C C 13 175.6 0.2 . 1 . . . . 3 PRO C . 16051 1 9 . 1 1 3 3 PRO CA C 13 62.51 0.2 . 1 . . . . 3 PRO CA . 16051 1 10 . 1 1 3 3 PRO CB C 13 32 0.2 . 1 . . . . 3 PRO CB . 16051 1 11 . 1 1 3 3 PRO CD C 13 50.2 0.2 . 1 . . . . 3 PRO CD . 16051 1 12 . 1 1 3 3 PRO CG C 13 27.2 0.2 . 1 . . . . 3 PRO CG . 16051 1 13 . 1 1 4 4 GLN H H 1 8.58 0.02 . 1 . . . . 4 GLN H . 16051 1 14 . 1 1 4 4 GLN HA H 1 4.26 0.02 . 1 . . . . 4 GLN HA . 16051 1 15 . 1 1 4 4 GLN HB2 H 1 2.03 0.02 . 2 . . . . 4 GLN HB2 . 16051 1 16 . 1 1 4 4 GLN HB3 H 1 2.03 0.02 . 2 . . . . 4 GLN HB3 . 16051 1 17 . 1 1 4 4 GLN HE21 H 1 7.59 0.02 . 2 . . . . 4 GLN HE21 . 16051 1 18 . 1 1 4 4 GLN HE22 H 1 6.92 0.02 . 2 . . . . 4 GLN HE22 . 16051 1 19 . 1 1 4 4 GLN HG2 H 1 2.35 0.02 . 2 . . . . 4 GLN HG2 . 16051 1 20 . 1 1 4 4 GLN HG3 H 1 2.35 0.02 . 2 . . . . 4 GLN HG3 . 16051 1 21 . 1 1 4 4 GLN C C 13 176.9 0.2 . 1 . . . . 4 GLN C . 16051 1 22 . 1 1 4 4 GLN CA C 13 55.7 0.2 . 1 . . . . 4 GLN CA . 16051 1 23 . 1 1 4 4 GLN CB C 13 29.2 0.2 . 1 . . . . 4 GLN CB . 16051 1 24 . 1 1 4 4 GLN CG C 13 33.6 0.2 . 1 . . . . 4 GLN CG . 16051 1 25 . 1 1 4 4 GLN N N 15 120 0.2 . 1 . . . . 4 GLN N . 16051 1 26 . 1 1 4 4 GLN NE2 N 15 113.4 0.2 . 1 . . . . 4 GLN NE2 . 16051 1 27 . 1 1 5 5 LEU H H 1 8.92 0.02 . 1 . . . . 5 LEU H . 16051 1 28 . 1 1 5 5 LEU HA H 1 4.66 0.02 . 1 . . . . 5 LEU HA . 16051 1 29 . 1 1 5 5 LEU HB2 H 1 1.48 0.02 . 2 . . . . 5 LEU HB2 . 16051 1 30 . 1 1 5 5 LEU HB3 H 1 1.73 0.02 . 2 . . . . 5 LEU HB3 . 16051 1 31 . 1 1 5 5 LEU HD11 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1 32 . 1 1 5 5 LEU HD12 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1 33 . 1 1 5 5 LEU HD13 H 1 0.86 0.02 . 2 . . . . 5 LEU HD1 . 16051 1 34 . 1 1 5 5 LEU HD21 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1 35 . 1 1 5 5 LEU HD22 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1 36 . 1 1 5 5 LEU HD23 H 1 0.62 0.02 . 2 . . . . 5 LEU HD2 . 16051 1 37 . 1 1 5 5 LEU HG H 1 1.68 0.02 . 1 . . . . 5 LEU HG . 16051 1 38 . 1 1 5 5 LEU C C 13 176.9 0.2 . 1 . . . . 5 LEU C . 16051 1 39 . 1 1 5 5 LEU CA C 13 54.7 0.2 . 1 . . . . 5 LEU CA . 16051 1 40 . 1 1 5 5 LEU CB C 13 43 0.2 . 1 . . . . 5 LEU CB . 16051 1 41 . 1 1 5 5 LEU CD1 C 13 25.6 0.02 . 2 . . . . 5 LEU CD1 . 16051 1 42 . 1 1 5 5 LEU CD2 C 13 23.8 0.02 . 2 . . . . 5 LEU CD2 . 16051 1 43 . 1 1 5 5 LEU CG C 13 26.5 0.2 . 1 . . . . 5 LEU CG . 16051 1 44 . 1 1 5 5 LEU N N 15 128.5 0.2 . 1 . . . . 5 LEU N . 16051 1 45 . 1 1 6 6 THR H H 1 8.75 0.02 . 1 . . . . 6 THR H . 16051 1 46 . 1 1 6 6 THR HA H 1 4.53 0.02 . 1 . . . . 6 THR HA . 16051 1 47 . 1 1 6 6 THR HB H 1 3.66 0.02 . 1 . . . . 6 THR HB . 16051 1 48 . 1 1 6 6 THR HG21 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1 49 . 1 1 6 6 THR HG22 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1 50 . 1 1 6 6 THR HG23 H 1 1.12 0.02 . 1 . . . . 6 THR HG2 . 16051 1 51 . 1 1 6 6 THR C C 13 173.7 0.2 . 1 . . . . 6 THR C . 16051 1 52 . 1 1 6 6 THR CA C 13 61.6 0.2 . 1 . . . . 6 THR CA . 16051 1 53 . 1 1 6 6 THR CB C 13 72 0.2 . 1 . . . . 6 THR CB . 16051 1 54 . 1 1 6 6 THR CG2 C 13 20.7 0.2 . 1 . . . . 6 THR CG2 . 16051 1 55 . 1 1 6 6 THR N N 15 121 0.2 . 1 . . . . 6 THR N . 16051 1 56 . 1 1 7 7 LYS H H 1 9.08 0.02 . 1 . . . . 7 LYS H . 16051 1 57 . 1 1 7 7 LYS HA H 1 4.43 0.02 . 1 . . . . 7 LYS HA . 16051 1 58 . 1 1 7 7 LYS HB2 H 1 0.57 0.02 . 2 . . . . 7 LYS HB2 . 16051 1 59 . 1 1 7 7 LYS HB3 H 1 1.66 0.02 . 2 . . . . 7 LYS HB3 . 16051 1 60 . 1 1 7 7 LYS HD2 H 1 1.53 0.02 . 2 . . . . 7 LYS HD2 . 16051 1 61 . 1 1 7 7 LYS HD3 H 1 1.69 0.02 . 2 . . . . 7 LYS HD3 . 16051 1 62 . 1 1 7 7 LYS HE2 H 1 2.9 0.02 . 2 . . . . 7 LYS HE2 . 16051 1 63 . 1 1 7 7 LYS HE3 H 1 2.95 0.02 . 2 . . . . 7 LYS HE3 . 16051 1 64 . 1 1 7 7 LYS HG2 H 1 1.51 0.02 . 2 . . . . 7 LYS HG2 . 16051 1 65 . 1 1 7 7 LYS HG3 H 1 1.51 0.02 . 2 . . . . 7 LYS HG3 . 16051 1 66 . 1 1 7 7 LYS C C 13 178.6 0.2 . 1 . . . . 7 LYS C . 16051 1 67 . 1 1 7 7 LYS CA C 13 54.3 0.2 . 1 . . . . 7 LYS CA . 16051 1 68 . 1 1 7 7 LYS CB C 13 32.3 0.2 . 1 . . . . 7 LYS CB . 16051 1 69 . 1 1 7 7 LYS CD C 13 28.1 0.2 . 1 . . . . 7 LYS CD . 16051 1 70 . 1 1 7 7 LYS CE C 13 42.4 0.2 . 1 . . . . 7 LYS CE . 16051 1 71 . 1 1 7 7 LYS CG C 13 24.6 0.2 . 1 . . . . 7 LYS CG . 16051 1 72 . 1 1 7 7 LYS N N 15 126.3 0.2 . 1 . . . . 7 LYS N . 16051 1 73 . 1 1 8 8 ILE H H 1 9.87 0.02 . 1 . . . . 8 ILE H . 16051 1 74 . 1 1 8 8 ILE HA H 1 3.24 0.02 . 1 . . . . 8 ILE HA . 16051 1 75 . 1 1 8 8 ILE HB H 1 1.6 0.02 . 1 . . . . 8 ILE HB . 16051 1 76 . 1 1 8 8 ILE HD11 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1 77 . 1 1 8 8 ILE HD12 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1 78 . 1 1 8 8 ILE HD13 H 1 0.64 0.02 . 1 . . . . 8 ILE HD1 . 16051 1 79 . 1 1 8 8 ILE HG21 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1 80 . 1 1 8 8 ILE HG22 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1 81 . 1 1 8 8 ILE HG23 H 1 0.49 0.02 . 1 . . . . 8 ILE HG2 . 16051 1 82 . 1 1 8 8 ILE C C 13 178.7 0.2 . 1 . . . . 8 ILE C . 16051 1 83 . 1 1 8 8 ILE CA C 13 66.8 0.2 . 1 . . . . 8 ILE CA . 16051 1 84 . 1 1 8 8 ILE CB C 13 36.4 0.2 . 1 . . . . 8 ILE CB . 16051 1 85 . 1 1 8 8 ILE CD1 C 13 13.32 0.2 . 1 . . . . 8 ILE CD1 . 16051 1 86 . 1 1 8 8 ILE CG2 C 13 17.7 0.2 . 1 . . . . 8 ILE CG2 . 16051 1 87 . 1 1 8 8 ILE N N 15 124.7 0.2 . 1 . . . . 8 ILE N . 16051 1 88 . 1 1 9 9 VAL H H 1 8.34 0.02 . 1 . . . . 9 VAL H . 16051 1 89 . 1 1 9 9 VAL HA H 1 3.93 0.02 . 1 . . . . 9 VAL HA . 16051 1 90 . 1 1 9 9 VAL HB H 1 1.98 0.02 . 1 . . . . 9 VAL HB . 16051 1 91 . 1 1 9 9 VAL HG11 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1 92 . 1 1 9 9 VAL HG12 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1 93 . 1 1 9 9 VAL HG13 H 1 0.77 0.02 . 2 . . . . 9 VAL HG1 . 16051 1 94 . 1 1 9 9 VAL HG21 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1 95 . 1 1 9 9 VAL HG22 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1 96 . 1 1 9 9 VAL HG23 H 1 1.04 0.02 . 2 . . . . 9 VAL HG2 . 16051 1 97 . 1 1 9 9 VAL C C 13 178.7 0.2 . 1 . . . . 9 VAL C . 16051 1 98 . 1 1 9 9 VAL CA C 13 63.3 0.2 . 1 . . . . 9 VAL CA . 16051 1 99 . 1 1 9 9 VAL CB C 13 31.7 0.2 . 1 . . . . 9 VAL CB . 16051 1 100 . 1 1 9 9 VAL CG1 C 13 18.7 0.02 . 2 . . . . 9 VAL CG1 . 16051 1 101 . 1 1 9 9 VAL CG2 C 13 21.7 0.02 . 2 . . . . 9 VAL CG2 . 16051 1 102 . 1 1 9 9 VAL N N 15 119.5 0.2 . 1 . . . . 9 VAL N . 16051 1 103 . 1 1 10 10 ASP H H 1 7.51 0.02 . 1 . . . . 10 ASP H . 16051 1 104 . 1 1 10 10 ASP HA H 1 4.73 0.02 . 1 . . . . 10 ASP HA . 16051 1 105 . 1 1 10 10 ASP HB2 H 1 2.65 0.02 . 2 . . . . 10 ASP HB2 . 16051 1 106 . 1 1 10 10 ASP HB3 H 1 2.91 0.02 . 2 . . . . 10 ASP HB3 . 16051 1 107 . 1 1 10 10 ASP C C 13 174.5 0.2 . 1 . . . . 10 ASP C . 16051 1 108 . 1 1 10 10 ASP CA C 13 54.4 0.2 . 1 . . . . 10 ASP CA . 16051 1 109 . 1 1 10 10 ASP CB C 13 41.1 0.2 . 1 . . . . 10 ASP CB . 16051 1 110 . 1 1 10 10 ASP N N 15 119.1 0.2 . 1 . . . . 10 ASP N . 16051 1 111 . 1 1 11 11 ILE H H 1 7.46 0.02 . 1 . . . . 11 ILE H . 16051 1 112 . 1 1 11 11 ILE HA H 1 3.8 0.02 . 1 . . . . 11 ILE HA . 16051 1 113 . 1 1 11 11 ILE HB H 1 1.99 0.02 . 1 . . . . 11 ILE HB . 16051 1 114 . 1 1 11 11 ILE HD11 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1 115 . 1 1 11 11 ILE HD12 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1 116 . 1 1 11 11 ILE HD13 H 1 0.48 0.02 . 1 . . . . 11 ILE HD1 . 16051 1 117 . 1 1 11 11 ILE HG12 H 1 0.73 0.02 . 2 . . . . 11 ILE HG12 . 16051 1 118 . 1 1 11 11 ILE HG13 H 1 1.42 0.02 . 2 . . . . 11 ILE HG13 . 16051 1 119 . 1 1 11 11 ILE HG21 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1 120 . 1 1 11 11 ILE HG22 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1 121 . 1 1 11 11 ILE HG23 H 1 0.45 0.02 . 1 . . . . 11 ILE HG2 . 16051 1 122 . 1 1 11 11 ILE C C 13 174.9 0.2 . 1 . . . . 11 ILE C . 16051 1 123 . 1 1 11 11 ILE CA C 13 62.1 0.2 . 1 . . . . 11 ILE CA . 16051 1 124 . 1 1 11 11 ILE CB C 13 35.3 0.2 . 1 . . . . 11 ILE CB . 16051 1 125 . 1 1 11 11 ILE CD1 C 13 12.8 0.2 . 1 . . . . 11 ILE CD1 . 16051 1 126 . 1 1 11 11 ILE CG1 C 13 27.4 0.2 . 1 . . . . 11 ILE CG1 . 16051 1 127 . 1 1 11 11 ILE CG2 C 13 18.5 0.2 . 1 . . . . 11 ILE CG2 . 16051 1 128 . 1 1 11 11 ILE N N 15 124.2 0.2 . 1 . . . . 11 ILE N . 16051 1 129 . 1 1 12 12 VAL H H 1 8.53 0.02 . 1 . . . . 12 VAL H . 16051 1 130 . 1 1 12 12 VAL HA H 1 4.26 0.02 . 1 . . . . 12 VAL HA . 16051 1 131 . 1 1 12 12 VAL HB H 1 2.28 0.02 . 1 . . . . 12 VAL HB . 16051 1 132 . 1 1 12 12 VAL HG11 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1 133 . 1 1 12 12 VAL HG12 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1 134 . 1 1 12 12 VAL HG13 H 1 0.76 0.02 . 2 . . . . 12 VAL HG1 . 16051 1 135 . 1 1 12 12 VAL HG21 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1 136 . 1 1 12 12 VAL HG22 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1 137 . 1 1 12 12 VAL HG23 H 1 0.69 0.02 . 2 . . . . 12 VAL HG2 . 16051 1 138 . 1 1 12 12 VAL C C 13 174.9 0.2 . 1 . . . . 12 VAL C . 16051 1 139 . 1 1 12 12 VAL CA C 13 60.6 0.2 . 1 . . . . 12 VAL CA . 16051 1 140 . 1 1 12 12 VAL CB C 13 35.4 0.2 . 1 . . . . 12 VAL CB . 16051 1 141 . 1 1 12 12 VAL CG1 C 13 21.2 0.02 . 2 . . . . 12 VAL CG1 . 16051 1 142 . 1 1 12 12 VAL CG2 C 13 17.7 0.02 . 2 . . . . 12 VAL CG2 . 16051 1 143 . 1 1 12 12 VAL N N 15 118.4 0.2 . 1 . . . . 12 VAL N . 16051 1 144 . 1 1 13 13 GLU H H 1 7.43 0.02 . 1 . . . . 13 GLU H . 16051 1 145 . 1 1 13 13 GLU HA H 1 4.59 0.02 . 1 . . . . 13 GLU HA . 16051 1 146 . 1 1 13 13 GLU HB2 H 1 1.77 0.02 . 2 . . . . 13 GLU HB2 . 16051 1 147 . 1 1 13 13 GLU HB3 H 1 1.87 0.02 . 2 . . . . 13 GLU HB3 . 16051 1 148 . 1 1 13 13 GLU HG2 H 1 2.11 0.02 . 2 . . . . 13 GLU HG2 . 16051 1 149 . 1 1 13 13 GLU HG3 H 1 2.21 0.02 . 2 . . . . 13 GLU HG3 . 16051 1 150 . 1 1 13 13 GLU C C 13 173.8 0.2 . 1 . . . . 13 GLU C . 16051 1 151 . 1 1 13 13 GLU CA C 13 54.8 0.2 . 1 . . . . 13 GLU CA . 16051 1 152 . 1 1 13 13 GLU CB C 13 33.16 0.2 . 1 . . . . 13 GLU CB . 16051 1 153 . 1 1 13 13 GLU CG C 13 35.7 0.2 . 1 . . . . 13 GLU CG . 16051 1 154 . 1 1 13 13 GLU N N 15 120.1 0.2 . 1 . . . . 13 GLU N . 16051 1 155 . 1 1 14 14 ASN H H 1 8.8 0.02 . 1 . . . . 14 ASN H . 16051 1 156 . 1 1 14 14 ASN HA H 1 4.11 0.02 . 1 . . . . 14 ASN HA . 16051 1 157 . 1 1 14 14 ASN HB2 H 1 2.79 0.02 . 2 . . . . 14 ASN HB2 . 16051 1 158 . 1 1 14 14 ASN HB3 H 1 2.82 0.02 . 2 . . . . 14 ASN HB3 . 16051 1 159 . 1 1 14 14 ASN HD21 H 1 7.58 0.02 . 2 . . . . 14 ASN HD21 . 16051 1 160 . 1 1 14 14 ASN HD22 H 1 6.89 0.02 . 2 . . . . 14 ASN HD22 . 16051 1 161 . 1 1 14 14 ASN C C 13 176.6 0.2 . 1 . . . . 14 ASN C . 16051 1 162 . 1 1 14 14 ASN CA C 13 54.6 0.2 . 1 . . . . 14 ASN CA . 16051 1 163 . 1 1 14 14 ASN CB C 13 38.9 0.2 . 1 . . . . 14 ASN CB . 16051 1 164 . 1 1 14 14 ASN N N 15 121.5 0.2 . 1 . . . . 14 ASN N . 16051 1 165 . 1 1 14 14 ASN ND2 N 15 111.7 0.2 . 1 . . . . 14 ASN ND2 . 16051 1 166 . 1 1 15 15 GLY H H 1 8.62 0.02 . 1 . . . . 15 GLY H . 16051 1 167 . 1 1 15 15 GLY HA2 H 1 3.46 0.02 . 2 . . . . 15 GLY HA2 . 16051 1 168 . 1 1 15 15 GLY HA3 H 1 4.11 0.02 . 2 . . . . 15 GLY HA3 . 16051 1 169 . 1 1 15 15 GLY C C 13 173.1 0.2 . 1 . . . . 15 GLY C . 16051 1 170 . 1 1 15 15 GLY CA C 13 45.3 0.2 . 1 . . . . 15 GLY CA . 16051 1 171 . 1 1 15 15 GLY N N 15 114.9 0.2 . 1 . . . . 15 GLY N . 16051 1 172 . 1 1 16 16 GLN H H 1 7.28 0.02 . 1 . . . . 16 GLN H . 16051 1 173 . 1 1 16 16 GLN HA H 1 4.16 0.02 . 1 . . . . 16 GLN HA . 16051 1 174 . 1 1 16 16 GLN HB2 H 1 1.85 0.02 . 2 . . . . 16 GLN HB2 . 16051 1 175 . 1 1 16 16 GLN HB3 H 1 2.19 0.02 . 2 . . . . 16 GLN HB3 . 16051 1 176 . 1 1 16 16 GLN HE21 H 1 7.8 0.02 . 2 . . . . 16 GLN HE21 . 16051 1 177 . 1 1 16 16 GLN HE22 H 1 6.92 0.02 . 2 . . . . 16 GLN HE22 . 16051 1 178 . 1 1 16 16 GLN HG2 H 1 2.12 0.02 . 2 . . . . 16 GLN HG2 . 16051 1 179 . 1 1 16 16 GLN HG3 H 1 2.45 0.02 . 2 . . . . 16 GLN HG3 . 16051 1 180 . 1 1 16 16 GLN C C 13 174.4 0.2 . 1 . . . . 16 GLN C . 16051 1 181 . 1 1 16 16 GLN CA C 13 56.3 0.2 . 1 . . . . 16 GLN CA . 16051 1 182 . 1 1 16 16 GLN CB C 13 30.3 0.2 . 1 . . . . 16 GLN CB . 16051 1 183 . 1 1 16 16 GLN CG C 13 32.5 0.2 . 1 . . . . 16 GLN CG . 16051 1 184 . 1 1 16 16 GLN N N 15 121.5 0.2 . 1 . . . . 16 GLN N . 16051 1 185 . 1 1 16 16 GLN NE2 N 15 108.5 0.2 . 1 . . . . 16 GLN NE2 . 16051 1 186 . 1 1 17 17 TRP H H 1 8.64 0.02 . 1 . . . . 17 TRP H . 16051 1 187 . 1 1 17 17 TRP HA H 1 5.4 0.02 . 1 . . . . 17 TRP HA . 16051 1 188 . 1 1 17 17 TRP HB2 H 1 3.02 0.02 . 2 . . . . 17 TRP HB2 . 16051 1 189 . 1 1 17 17 TRP HB3 H 1 3.15 0.02 . 2 . . . . 17 TRP HB3 . 16051 1 190 . 1 1 17 17 TRP HD1 H 1 7.33 0.02 . 1 . . . . 17 TRP HD1 . 16051 1 191 . 1 1 17 17 TRP HE1 H 1 9.95 0.02 . 1 . . . . 17 TRP HE1 . 16051 1 192 . 1 1 17 17 TRP HE3 H 1 7.28 0.02 . 1 . . . . 17 TRP HE3 . 16051 1 193 . 1 1 17 17 TRP HH2 H 1 7.14 0.02 . 1 . . . . 17 TRP HH2 . 16051 1 194 . 1 1 17 17 TRP HZ2 H 1 7.42 0.02 . 1 . . . . 17 TRP HZ2 . 16051 1 195 . 1 1 17 17 TRP HZ3 H 1 7.07 0.02 . 1 . . . . 17 TRP HZ3 . 16051 1 196 . 1 1 17 17 TRP C C 13 176.9 0.2 . 1 . . . . 17 TRP C . 16051 1 197 . 1 1 17 17 TRP CA C 13 56.4 0.2 . 1 . . . . 17 TRP CA . 16051 1 198 . 1 1 17 17 TRP CB C 13 30.3 0.2 . 1 . . . . 17 TRP CB . 16051 1 199 . 1 1 17 17 TRP CD1 C 13 127.5 0.2 . 1 . . . . 17 TRP CD1 . 16051 1 200 . 1 1 17 17 TRP CE3 C 13 120.7 0.2 . 1 . . . . 17 TRP CE3 . 16051 1 201 . 1 1 17 17 TRP CH2 C 13 123.9 0.2 . 1 . . . . 17 TRP CH2 . 16051 1 202 . 1 1 17 17 TRP CZ2 C 13 114.5 0.2 . 1 . . . . 17 TRP CZ2 . 16051 1 203 . 1 1 17 17 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 17 TRP CZ3 . 16051 1 204 . 1 1 17 17 TRP N N 15 125.5 0.2 . 1 . . . . 17 TRP N . 16051 1 205 . 1 1 17 17 TRP NE1 N 15 129.2 0.2 . 1 . . . . 17 TRP NE1 . 16051 1 206 . 1 1 18 18 ALA H H 1 9.02 0.02 . 1 . . . . 18 ALA H . 16051 1 207 . 1 1 18 18 ALA HA H 1 4.65 0.02 . 1 . . . . 18 ALA HA . 16051 1 208 . 1 1 18 18 ALA HB1 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1 209 . 1 1 18 18 ALA HB2 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1 210 . 1 1 18 18 ALA HB3 H 1 0.99 0.02 . 1 . . . . 18 ALA HB . 16051 1 211 . 1 1 18 18 ALA C C 13 174.1 0.2 . 1 . . . . 18 ALA C . 16051 1 212 . 1 1 18 18 ALA CA C 13 51.43 0.2 . 1 . . . . 18 ALA CA . 16051 1 213 . 1 1 18 18 ALA CB C 13 22.6 0.2 . 1 . . . . 18 ALA CB . 16051 1 214 . 1 1 18 18 ALA N N 15 124 0.2 . 1 . . . . 18 ALA N . 16051 1 215 . 1 1 19 19 ASN H H 1 8.25 0.02 . 1 . . . . 19 ASN H . 16051 1 216 . 1 1 19 19 ASN HA H 1 5.71 0.02 . 1 . . . . 19 ASN HA . 16051 1 217 . 1 1 19 19 ASN HB2 H 1 2.34 0.02 . 2 . . . . 19 ASN HB2 . 16051 1 218 . 1 1 19 19 ASN HB3 H 1 2.96 0.02 . 2 . . . . 19 ASN HB3 . 16051 1 219 . 1 1 19 19 ASN HD21 H 1 7.9 0.02 . 2 . . . . 19 ASN HD21 . 16051 1 220 . 1 1 19 19 ASN HD22 H 1 7.11 0.02 . 2 . . . . 19 ASN HD22 . 16051 1 221 . 1 1 19 19 ASN C C 13 173.5 0.2 . 1 . . . . 19 ASN C . 16051 1 222 . 1 1 19 19 ASN CA C 13 51.6 0.2 . 1 . . . . 19 ASN CA . 16051 1 223 . 1 1 19 19 ASN CB C 13 40.1 0.2 . 1 . . . . 19 ASN CB . 16051 1 224 . 1 1 19 19 ASN N N 15 116.5 0.2 . 1 . . . . 19 ASN N . 16051 1 225 . 1 1 19 19 ASN ND2 N 15 116.2 0.2 . 1 . . . . 19 ASN ND2 . 16051 1 226 . 1 1 20 20 LEU H H 1 9.28 0.02 . 1 . . . . 20 LEU H . 16051 1 227 . 1 1 20 20 LEU HA H 1 4.93 0.02 . 1 . . . . 20 LEU HA . 16051 1 228 . 1 1 20 20 LEU HB2 H 1 1.44 0.02 . 2 . . . . 20 LEU HB2 . 16051 1 229 . 1 1 20 20 LEU HB3 H 1 1.56 0.02 . 2 . . . . 20 LEU HB3 . 16051 1 230 . 1 1 20 20 LEU HD11 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1 231 . 1 1 20 20 LEU HD12 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1 232 . 1 1 20 20 LEU HD13 H 1 0.59 0.02 . 2 . . . . 20 LEU HD1 . 16051 1 233 . 1 1 20 20 LEU HD21 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1 234 . 1 1 20 20 LEU HD22 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1 235 . 1 1 20 20 LEU HD23 H 1 0.59 0.02 . 2 . . . . 20 LEU HD2 . 16051 1 236 . 1 1 20 20 LEU C C 13 174.8 0.2 . 1 . . . . 20 LEU C . 16051 1 237 . 1 1 20 20 LEU CA C 13 54.2 0.2 . 1 . . . . 20 LEU CA . 16051 1 238 . 1 1 20 20 LEU CB C 13 46.3 0.2 . 1 . . . . 20 LEU CB . 16051 1 239 . 1 1 20 20 LEU CD1 C 13 26.0 0.02 . 2 . . . . 20 LEU CD1 . 16051 1 240 . 1 1 20 20 LEU CD2 C 13 26.0 0.02 . 2 . . . . 20 LEU CD2 . 16051 1 241 . 1 1 20 20 LEU N N 15 121.8 0.2 . 1 . . . . 20 LEU N . 16051 1 242 . 1 1 21 21 LYS H H 1 8.55 0.02 . 1 . . . . 21 LYS H . 16051 1 243 . 1 1 21 21 LYS HA H 1 5.45 0.02 . 1 . . . . 21 LYS HA . 16051 1 244 . 1 1 21 21 LYS HB2 H 1 1.62 0.02 . 2 . . . . 21 LYS HB2 . 16051 1 245 . 1 1 21 21 LYS HB3 H 1 1.62 0.02 . 2 . . . . 21 LYS HB3 . 16051 1 246 . 1 1 21 21 LYS HD2 H 1 1.45 0.02 . 2 . . . . 21 LYS HD2 . 16051 1 247 . 1 1 21 21 LYS HD3 H 1 1.65 0.02 . 2 . . . . 21 LYS HD3 . 16051 1 248 . 1 1 21 21 LYS HE2 H 1 2.85 0.02 . 2 . . . . 21 LYS HE2 . 16051 1 249 . 1 1 21 21 LYS HE3 H 1 2.83 0.02 . 2 . . . . 21 LYS HE3 . 16051 1 250 . 1 1 21 21 LYS HG2 H 1 1.18 0.02 . 2 . . . . 21 LYS HG2 . 16051 1 251 . 1 1 21 21 LYS HG3 H 1 1.18 0.02 . 2 . . . . 21 LYS HG3 . 16051 1 252 . 1 1 21 21 LYS C C 13 174.8 0.2 . 1 . . . . 21 LYS C . 16051 1 253 . 1 1 21 21 LYS CA C 13 55.35 0.2 . 1 . . . . 21 LYS CA . 16051 1 254 . 1 1 21 21 LYS CB C 13 34.3 0.2 . 1 . . . . 21 LYS CB . 16051 1 255 . 1 1 21 21 LYS CD C 13 29.9 0.2 . 1 . . . . 21 LYS CD . 16051 1 256 . 1 1 21 21 LYS CE C 13 42 0.2 . 1 . . . . 21 LYS CE . 16051 1 257 . 1 1 21 21 LYS CG C 13 26.9 0.2 . 1 . . . . 21 LYS CG . 16051 1 258 . 1 1 21 21 LYS N N 15 122.5 0.2 . 1 . . . . 21 LYS N . 16051 1 259 . 1 1 22 22 ALA H H 1 9.09 0.02 . 1 . . . . 22 ALA H . 16051 1 260 . 1 1 22 22 ALA HA H 1 4.83 0.02 . 1 . . . . 22 ALA HA . 16051 1 261 . 1 1 22 22 ALA HB1 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1 262 . 1 1 22 22 ALA HB2 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1 263 . 1 1 22 22 ALA HB3 H 1 1.17 0.02 . 1 . . . . 22 ALA HB . 16051 1 264 . 1 1 22 22 ALA C C 13 173.8 0.2 . 1 . . . . 22 ALA C . 16051 1 265 . 1 1 22 22 ALA CA C 13 51.3 0.2 . 1 . . . . 22 ALA CA . 16051 1 266 . 1 1 22 22 ALA CB C 13 24.7 0.2 . 1 . . . . 22 ALA CB . 16051 1 267 . 1 1 22 22 ALA N N 15 123.2 0.2 . 1 . . . . 22 ALA N . 16051 1 268 . 1 1 23 23 LYS H H 1 9.19 0.02 . 1 . . . . 23 LYS H . 16051 1 269 . 1 1 23 23 LYS HA H 1 5.08 0.02 . 1 . . . . 23 LYS HA . 16051 1 270 . 1 1 23 23 LYS HB2 H 1 1.4 0.02 . 2 . . . . 23 LYS HB2 . 16051 1 271 . 1 1 23 23 LYS HB3 H 1 1.65 0.02 . 2 . . . . 23 LYS HB3 . 16051 1 272 . 1 1 23 23 LYS HE2 H 1 2.83 0.02 . 2 . . . . 23 LYS HE2 . 16051 1 273 . 1 1 23 23 LYS HE3 H 1 2.96 0.02 . 2 . . . . 23 LYS HE3 . 16051 1 274 . 1 1 23 23 LYS HG2 H 1 1.40 0.02 . 2 . . . . 23 LYS HG2 . 16051 1 275 . 1 1 23 23 LYS HG3 H 1 1.65 0.02 . 2 . . . . 23 LYS HG3 . 16051 1 276 . 1 1 23 23 LYS C C 13 176.9 0.2 . 1 . . . . 23 LYS C . 16051 1 277 . 1 1 23 23 LYS CA C 13 54.1 0.2 . 1 . . . . 23 LYS CA . 16051 1 278 . 1 1 23 23 LYS CB C 13 35.8 0.2 . 1 . . . . 23 LYS CB . 16051 1 279 . 1 1 23 23 LYS CG C 13 35.7 0.2 . 1 . . . . 23 LYS CG . 16051 1 280 . 1 1 23 23 LYS N N 15 121.1 0.2 . 1 . . . . 23 LYS N . 16051 1 281 . 1 1 24 24 VAL H H 1 8.62 0.02 . 1 . . . . 24 VAL H . 16051 1 282 . 1 1 24 24 VAL HA H 1 4.11 0.02 . 1 . . . . 24 VAL HA . 16051 1 283 . 1 1 24 24 VAL HB H 1 2.49 0.02 . 1 . . . . 24 VAL HB . 16051 1 284 . 1 1 24 24 VAL HG11 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1 285 . 1 1 24 24 VAL HG12 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1 286 . 1 1 24 24 VAL HG13 H 1 0.72 0.02 . 2 . . . . 24 VAL HG1 . 16051 1 287 . 1 1 24 24 VAL HG21 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1 288 . 1 1 24 24 VAL HG22 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1 289 . 1 1 24 24 VAL HG23 H 1 0.75 0.02 . 2 . . . . 24 VAL HG2 . 16051 1 290 . 1 1 24 24 VAL C C 13 175.8 0.2 . 1 . . . . 24 VAL C . 16051 1 291 . 1 1 24 24 VAL CA C 13 62.75 0.2 . 1 . . . . 24 VAL CA . 16051 1 292 . 1 1 24 24 VAL CB C 13 30.5 0.2 . 1 . . . . 24 VAL CB . 16051 1 293 . 1 1 24 24 VAL CG1 C 13 21.8 0.02 . 2 . . . . 24 VAL CG1 . 16051 1 294 . 1 1 24 24 VAL CG2 C 13 22.8 0.02 . 2 . . . . 24 VAL CG2 . 16051 1 295 . 1 1 24 24 VAL N N 15 125.6 0.2 . 1 . . . . 24 VAL N . 16051 1 296 . 1 1 25 25 ILE H H 1 8.43 0.02 . 1 . . . . 25 ILE H . 16051 1 297 . 1 1 25 25 ILE HA H 1 4.21 0.02 . 1 . . . . 25 ILE HA . 16051 1 298 . 1 1 25 25 ILE HB H 1 1.79 0.02 . 1 . . . . 25 ILE HB . 16051 1 299 . 1 1 25 25 ILE HD11 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1 300 . 1 1 25 25 ILE HD12 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1 301 . 1 1 25 25 ILE HD13 H 1 0.72 0.02 . 1 . . . . 25 ILE HD1 . 16051 1 302 . 1 1 25 25 ILE HG12 H 1 1.03 0.02 . 2 . . . . 25 ILE HG12 . 16051 1 303 . 1 1 25 25 ILE HG13 H 1 1.29 0.02 . 2 . . . . 25 ILE HG13 . 16051 1 304 . 1 1 25 25 ILE HG21 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1 305 . 1 1 25 25 ILE HG22 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1 306 . 1 1 25 25 ILE HG23 H 1 0.85 0.02 . 1 . . . . 25 ILE HG2 . 16051 1 307 . 1 1 25 25 ILE C C 13 176.7 0.2 . 1 . . . . 25 ILE C . 16051 1 308 . 1 1 25 25 ILE CA C 13 62.1 0.2 . 1 . . . . 25 ILE CA . 16051 1 309 . 1 1 25 25 ILE CB C 13 38.3 0.2 . 1 . . . . 25 ILE CB . 16051 1 310 . 1 1 25 25 ILE CD1 C 13 13 0.2 . 1 . . . . 25 ILE CD1 . 16051 1 311 . 1 1 25 25 ILE CG1 C 13 26.9 0.2 . 1 . . . . 25 ILE CG1 . 16051 1 312 . 1 1 25 25 ILE CG2 C 13 17.9 0.2 . 1 . . . . 25 ILE CG2 . 16051 1 313 . 1 1 25 25 ILE N N 15 127.4 0.2 . 1 . . . . 25 ILE N . 16051 1 314 . 1 1 26 26 GLN H H 1 7.59 0.02 . 1 . . . . 26 GLN H . 16051 1 315 . 1 1 26 26 GLN HA H 1 4.56 0.02 . 1 . . . . 26 GLN HA . 16051 1 316 . 1 1 26 26 GLN HB2 H 1 1.88 0.02 . 2 . . . . 26 GLN HB2 . 16051 1 317 . 1 1 26 26 GLN HB3 H 1 1.88 0.02 . 2 . . . . 26 GLN HB3 . 16051 1 318 . 1 1 26 26 GLN HE21 H 1 7.69 0.02 . 2 . . . . 26 GLN HE21 . 16051 1 319 . 1 1 26 26 GLN HE22 H 1 6.95 0.02 . 2 . . . . 26 GLN HE22 . 16051 1 320 . 1 1 26 26 GLN HG2 H 1 2.32 0.02 . 2 . . . . 26 GLN HG2 . 16051 1 321 . 1 1 26 26 GLN HG3 H 1 2.47 0.02 . 2 . . . . 26 GLN HG3 . 16051 1 322 . 1 1 26 26 GLN C C 13 173.7 0.2 . 1 . . . . 26 GLN C . 16051 1 323 . 1 1 26 26 GLN CA C 13 55.4 0.2 . 1 . . . . 26 GLN CA . 16051 1 324 . 1 1 26 26 GLN CB C 13 34.1 0.2 . 1 . . . . 26 GLN CB . 16051 1 325 . 1 1 26 26 GLN CG C 13 34.3 0.2 . 1 . . . . 26 GLN CG . 16051 1 326 . 1 1 26 26 GLN N N 15 117.1 0.2 . 1 . . . . 26 GLN N . 16051 1 327 . 1 1 26 26 GLN NE2 N 15 111.7 0.2 . 1 . . . . 26 GLN NE2 . 16051 1 328 . 1 1 27 27 LEU H H 1 8.47 0.02 . 1 . . . . 27 LEU H . 16051 1 329 . 1 1 27 27 LEU HA H 1 4.71 0.02 . 1 . . . . 27 LEU HA . 16051 1 330 . 1 1 27 27 LEU HB2 H 1 1.48 0.02 . 2 . . . . 27 LEU HB2 . 16051 1 331 . 1 1 27 27 LEU HB3 H 1 1.79 0.02 . 2 . . . . 27 LEU HB3 . 16051 1 332 . 1 1 27 27 LEU HD11 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1 333 . 1 1 27 27 LEU HD12 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1 334 . 1 1 27 27 LEU HD13 H 1 0.96 0.02 . 2 . . . . 27 LEU HD1 . 16051 1 335 . 1 1 27 27 LEU HD21 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1 336 . 1 1 27 27 LEU HD22 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1 337 . 1 1 27 27 LEU HD23 H 1 0.88 0.02 . 2 . . . . 27 LEU HD2 . 16051 1 338 . 1 1 27 27 LEU HG H 1 1.43 0.02 . 1 . . . . 27 LEU HG . 16051 1 339 . 1 1 27 27 LEU C C 13 176.2 0.2 . 1 . . . . 27 LEU C . 16051 1 340 . 1 1 27 27 LEU CA C 13 54.1 0.2 . 1 . . . . 27 LEU CA . 16051 1 341 . 1 1 27 27 LEU CB C 13 44 0.2 . 1 . . . . 27 LEU CB . 16051 1 342 . 1 1 27 27 LEU CD1 C 13 25.7 0.02 . 2 . . . . 27 LEU CD1 . 16051 1 343 . 1 1 27 27 LEU CD2 C 13 25 0.02 . 2 . . . . 27 LEU CD2 . 16051 1 344 . 1 1 27 27 LEU CG C 13 26.9 0.2 . 1 . . . . 27 LEU CG . 16051 1 345 . 1 1 27 27 LEU N N 15 123.6 0.2 . 1 . . . . 27 LEU N . 16051 1 346 . 1 1 28 28 TRP H H 1 8.85 0.02 . 1 . . . . 28 TRP H . 16051 1 347 . 1 1 28 28 TRP HA H 1 5.18 0.02 . 1 . . . . 28 TRP HA . 16051 1 348 . 1 1 28 28 TRP HB2 H 1 2.9 0.02 . 2 . . . . 28 TRP HB2 . 16051 1 349 . 1 1 28 28 TRP HB3 H 1 3.23 0.02 . 2 . . . . 28 TRP HB3 . 16051 1 350 . 1 1 28 28 TRP HD1 H 1 6.9 0.02 . 1 . . . . 28 TRP HD1 . 16051 1 351 . 1 1 28 28 TRP HE1 H 1 10.11 0.02 . 1 . . . . 28 TRP HE1 . 16051 1 352 . 1 1 28 28 TRP HE3 H 1 7.32 0.02 . 1 . . . . 28 TRP HE3 . 16051 1 353 . 1 1 28 28 TRP HH2 H 1 7.06 0.02 . 1 . . . . 28 TRP HH2 . 16051 1 354 . 1 1 28 28 TRP HZ2 H 1 7.25 0.02 . 1 . . . . 28 TRP HZ2 . 16051 1 355 . 1 1 28 28 TRP HZ3 H 1 6.77 0.02 . 1 . . . . 28 TRP HZ3 . 16051 1 356 . 1 1 28 28 TRP C C 13 175.9 0.2 . 1 . . . . 28 TRP C . 16051 1 357 . 1 1 28 28 TRP CA C 13 53.3 0.2 . 1 . . . . 28 TRP CA . 16051 1 358 . 1 1 28 28 TRP CB C 13 31.4 0.2 . 1 . . . . 28 TRP CB . 16051 1 359 . 1 1 28 28 TRP CD1 C 13 124 0.2 . 1 . . . . 28 TRP CD1 . 16051 1 360 . 1 1 28 28 TRP CE3 C 13 120.6 0.2 . 1 . . . . 28 TRP CE3 . 16051 1 361 . 1 1 28 28 TRP CH2 C 13 124.4 0.2 . 1 . . . . 28 TRP CH2 . 16051 1 362 . 1 1 28 28 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 28 TRP CZ2 . 16051 1 363 . 1 1 28 28 TRP CZ3 C 13 121.2 0.2 . 1 . . . . 28 TRP CZ3 . 16051 1 364 . 1 1 28 28 TRP N N 15 123.9 0.2 . 1 . . . . 28 TRP N . 16051 1 365 . 1 1 28 28 TRP NE1 N 15 127.7 0.2 . 1 . . . . 28 TRP NE1 . 16051 1 366 . 1 1 29 29 GLU H H 1 8.62 0.02 . 1 . . . . 29 GLU H . 16051 1 367 . 1 1 29 29 GLU HA H 1 4.25 0.02 . 1 . . . . 29 GLU HA . 16051 1 368 . 1 1 29 29 GLU HB2 H 1 1.93 0.02 . 2 . . . . 29 GLU HB2 . 16051 1 369 . 1 1 29 29 GLU HB3 H 1 1.93 0.02 . 2 . . . . 29 GLU HB3 . 16051 1 370 . 1 1 29 29 GLU HG2 H 1 2.24 0.02 . 2 . . . . 29 GLU HG2 . 16051 1 371 . 1 1 29 29 GLU HG3 H 1 2.24 0.02 . 2 . . . . 29 GLU HG3 . 16051 1 372 . 1 1 29 29 GLU C C 13 175.7 0.2 . 1 . . . . 29 GLU C . 16051 1 373 . 1 1 29 29 GLU CA C 13 56.8 0.2 . 1 . . . . 29 GLU CA . 16051 1 374 . 1 1 29 29 GLU CB C 13 30 0.2 . 1 . . . . 29 GLU CB . 16051 1 375 . 1 1 29 29 GLU CG C 13 36.1 0.2 . 1 . . . . 29 GLU CG . 16051 1 376 . 1 1 29 29 GLU N N 15 120.7 0.2 . 1 . . . . 29 GLU N . 16051 1 377 . 1 1 30 30 ASN H H 1 8.72 0.02 . 1 . . . . 30 ASN H . 16051 1 378 . 1 1 30 30 ASN HA H 1 4.87 0.02 . 1 . . . . 30 ASN HA . 16051 1 379 . 1 1 30 30 ASN HB2 H 1 2.63 0.02 . 2 . . . . 30 ASN HB2 . 16051 1 380 . 1 1 30 30 ASN HB3 H 1 2.63 0.02 . 2 . . . . 30 ASN HB3 . 16051 1 381 . 1 1 30 30 ASN HD21 H 1 7.54 0.02 . 2 . . . . 30 ASN HD21 . 16051 1 382 . 1 1 30 30 ASN HD22 H 1 7.15 0.02 . 2 . . . . 30 ASN HD22 . 16051 1 383 . 1 1 30 30 ASN C C 13 174.8 0.2 . 1 . . . . 30 ASN C . 16051 1 384 . 1 1 30 30 ASN CA C 13 53.8 0.2 . 1 . . . . 30 ASN CA . 16051 1 385 . 1 1 30 30 ASN CB C 13 41.2 0.2 . 1 . . . . 30 ASN CB . 16051 1 386 . 1 1 30 30 ASN N N 15 121.4 0.2 . 1 . . . . 30 ASN N . 16051 1 387 . 1 1 30 30 ASN ND2 N 15 118.4 0.2 . 1 . . . . 30 ASN ND2 . 16051 1 388 . 1 1 31 31 THR H H 1 8.3 0.02 . 1 . . . . 31 THR H . 16051 1 389 . 1 1 31 31 THR HA H 1 4.43 0.02 . 1 . . . . 31 THR HA . 16051 1 390 . 1 1 31 31 THR HB H 1 4.42 0.02 . 1 . . . . 31 THR HB . 16051 1 391 . 1 1 31 31 THR HG21 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1 392 . 1 1 31 31 THR HG22 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1 393 . 1 1 31 31 THR HG23 H 1 1.09 0.02 . 1 . . . . 31 THR HG2 . 16051 1 394 . 1 1 31 31 THR C C 13 174.2 0.2 . 1 . . . . 31 THR C . 16051 1 395 . 1 1 31 31 THR CA C 13 61 0.2 . 1 . . . . 31 THR CA . 16051 1 396 . 1 1 31 31 THR CB C 13 69.6 0.2 . 1 . . . . 31 THR CB . 16051 1 397 . 1 1 31 31 THR CG2 C 13 21.3 0.2 . 1 . . . . 31 THR CG2 . 16051 1 398 . 1 1 31 31 THR N N 15 114.2 0.2 . 1 . . . . 31 THR N . 16051 1 399 . 1 1 32 32 HIS H H 1 7.84 0.02 . 1 . . . . 32 HIS H . 16051 1 400 . 1 1 32 32 HIS HA H 1 4.56 0.02 . 1 . . . . 32 HIS HA . 16051 1 401 . 1 1 32 32 HIS HB2 H 1 3.13 0.02 . 2 . . . . 32 HIS HB2 . 16051 1 402 . 1 1 32 32 HIS HB3 H 1 3.13 0.02 . 2 . . . . 32 HIS HB3 . 16051 1 403 . 1 1 32 32 HIS HD2 H 1 7.19 0.02 . 1 . . . . 32 HIS HD2 . 16051 1 404 . 1 1 32 32 HIS C C 13 177.3 0.2 . 1 . . . . 32 HIS C . 16051 1 405 . 1 1 32 32 HIS CA C 13 57.6 0.2 . 1 . . . . 32 HIS CA . 16051 1 406 . 1 1 32 32 HIS CB C 13 32 0.2 . 1 . . . . 32 HIS CB . 16051 1 407 . 1 1 32 32 HIS CD2 C 13 119.1 0.2 . 1 . . . . 32 HIS CD2 . 16051 1 408 . 1 1 32 32 HIS N N 15 122.5 0.2 . 1 . . . . 32 HIS N . 16051 1 409 . 1 1 33 33 GLU H H 1 9.02 0.02 . 1 . . . . 33 GLU H . 16051 1 410 . 1 1 33 33 GLU HA H 1 4.12 0.02 . 1 . . . . 33 GLU HA . 16051 1 411 . 1 1 33 33 GLU HB2 H 1 2.04 0.02 . 2 . . . . 33 GLU HB2 . 16051 1 412 . 1 1 33 33 GLU HB3 H 1 2.04 0.02 . 2 . . . . 33 GLU HB3 . 16051 1 413 . 1 1 33 33 GLU HG2 H 1 2.29 0.02 . 2 . . . . 33 GLU HG2 . 16051 1 414 . 1 1 33 33 GLU HG3 H 1 2.29 0.02 . 2 . . . . 33 GLU HG3 . 16051 1 415 . 1 1 33 33 GLU C C 13 177.1 0.2 . 1 . . . . 33 GLU C . 16051 1 416 . 1 1 33 33 GLU CA C 13 59 0.2 . 1 . . . . 33 GLU CA . 16051 1 417 . 1 1 33 33 GLU CB C 13 29.4 0.2 . 1 . . . . 33 GLU CB . 16051 1 418 . 1 1 33 33 GLU CG C 13 35.7 0.2 . 1 . . . . 33 GLU CG . 16051 1 419 . 1 1 33 33 GLU N N 15 127.3 0.2 . 1 . . . . 33 GLU N . 16051 1 420 . 1 1 34 34 SER H H 1 9.43 0.02 . 1 . . . . 34 SER H . 16051 1 421 . 1 1 34 34 SER HA H 1 4.58 0.02 . 1 . . . . 34 SER HA . 16051 1 422 . 1 1 34 34 SER HB2 H 1 4.14 0.02 . 2 . . . . 34 SER HB2 . 16051 1 423 . 1 1 34 34 SER HB3 H 1 4.18 0.02 . 2 . . . . 34 SER HB3 . 16051 1 424 . 1 1 34 34 SER C C 13 174.8 0.2 . 1 . . . . 34 SER C . 16051 1 425 . 1 1 34 34 SER CA C 13 59.5 0.2 . 1 . . . . 34 SER CA . 16051 1 426 . 1 1 34 34 SER CB C 13 63.6 0.2 . 1 . . . . 34 SER CB . 16051 1 427 . 1 1 34 34 SER N N 15 113.4 0.2 . 1 . . . . 34 SER N . 16051 1 428 . 1 1 35 35 ILE H H 1 7.92 0.02 . 1 . . . . 35 ILE H . 16051 1 429 . 1 1 35 35 ILE HA H 1 4.08 0.02 . 1 . . . . 35 ILE HA . 16051 1 430 . 1 1 35 35 ILE HB H 1 1.84 0.02 . 1 . . . . 35 ILE HB . 16051 1 431 . 1 1 35 35 ILE HD11 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1 432 . 1 1 35 35 ILE HD12 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1 433 . 1 1 35 35 ILE HD13 H 1 0.38 0.02 . 1 . . . . 35 ILE HD1 . 16051 1 434 . 1 1 35 35 ILE HG12 H 1 0.25 0.02 . 2 . . . . 35 ILE HG12 . 16051 1 435 . 1 1 35 35 ILE HG13 H 1 1.32 0.02 . 2 . . . . 35 ILE HG13 . 16051 1 436 . 1 1 35 35 ILE HG21 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1 437 . 1 1 35 35 ILE HG22 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1 438 . 1 1 35 35 ILE HG23 H 1 0.49 0.02 . 1 . . . . 35 ILE HG2 . 16051 1 439 . 1 1 35 35 ILE C C 13 174.3 0.2 . 1 . . . . 35 ILE C . 16051 1 440 . 1 1 35 35 ILE CA C 13 61.6 0.2 . 1 . . . . 35 ILE CA . 16051 1 441 . 1 1 35 35 ILE CB C 13 40.7 0.2 . 1 . . . . 35 ILE CB . 16051 1 442 . 1 1 35 35 ILE CD1 C 13 12.5 0.2 . 1 . . . . 35 ILE CD1 . 16051 1 443 . 1 1 35 35 ILE CG1 C 13 28.5 0.2 . 1 . . . . 35 ILE CG1 . 16051 1 444 . 1 1 35 35 ILE CG2 C 13 17.7 0.2 . 1 . . . . 35 ILE CG2 . 16051 1 445 . 1 1 35 35 ILE N N 15 125.8 0.2 . 1 . . . . 35 ILE N . 16051 1 446 . 1 1 36 36 SER H H 1 9.01 0.02 . 1 . . . . 36 SER H . 16051 1 447 . 1 1 36 36 SER HA H 1 4.48 0.02 . 1 . . . . 36 SER HA . 16051 1 448 . 1 1 36 36 SER HB2 H 1 3.56 0.02 . 2 . . . . 36 SER HB2 . 16051 1 449 . 1 1 36 36 SER HB3 H 1 3.56 0.02 . 2 . . . . 36 SER HB3 . 16051 1 450 . 1 1 36 36 SER C C 13 174.9 0.2 . 1 . . . . 36 SER C . 16051 1 451 . 1 1 36 36 SER CA C 13 58.8 0.2 . 1 . . . . 36 SER CA . 16051 1 452 . 1 1 36 36 SER CB C 13 64.3 0.2 . 1 . . . . 36 SER CB . 16051 1 453 . 1 1 36 36 SER N N 15 119.1 0.2 . 1 . . . . 36 SER N . 16051 1 454 . 1 1 37 37 GLN H H 1 7.39 0.02 . 1 . . . . 37 GLN H . 16051 1 455 . 1 1 37 37 GLN HA H 1 4.69 0.02 . 1 . . . . 37 GLN HA . 16051 1 456 . 1 1 37 37 GLN HB2 H 1 1.81 0.02 . 2 . . . . 37 GLN HB2 . 16051 1 457 . 1 1 37 37 GLN HB3 H 1 1.81 0.02 . 2 . . . . 37 GLN HB3 . 16051 1 458 . 1 1 37 37 GLN HE21 H 1 7.88 0.02 . 2 . . . . 37 GLN HE21 . 16051 1 459 . 1 1 37 37 GLN HE22 H 1 7.67 0.02 . 2 . . . . 37 GLN HE22 . 16051 1 460 . 1 1 37 37 GLN HG2 H 1 2.31 0.02 . 2 . . . . 37 GLN HG2 . 16051 1 461 . 1 1 37 37 GLN HG3 H 1 2.31 0.02 . 2 . . . . 37 GLN HG3 . 16051 1 462 . 1 1 37 37 GLN C C 13 171.8 0.2 . 1 . . . . 37 GLN C . 16051 1 463 . 1 1 37 37 GLN CA C 13 54.9 0.2 . 1 . . . . 37 GLN CA . 16051 1 464 . 1 1 37 37 GLN CB C 13 36.2 0.2 . 1 . . . . 37 GLN CB . 16051 1 465 . 1 1 37 37 GLN N N 15 116.5 0.2 . 1 . . . . 37 GLN N . 16051 1 466 . 1 1 37 37 GLN NE2 N 15 113.7 0.2 . 1 . . . . 37 GLN NE2 . 16051 1 467 . 1 1 38 38 VAL H H 1 8.64 0.02 . 1 . . . . 38 VAL H . 16051 1 468 . 1 1 38 38 VAL HA H 1 4.16 0.02 . 1 . . . . 38 VAL HA . 16051 1 469 . 1 1 38 38 VAL HB H 1 1.74 0.02 . 1 . . . . 38 VAL HB . 16051 1 470 . 1 1 38 38 VAL HG11 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1 471 . 1 1 38 38 VAL HG12 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1 472 . 1 1 38 38 VAL HG13 H 1 0.86 0.02 . 2 . . . . 38 VAL HG1 . 16051 1 473 . 1 1 38 38 VAL HG21 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1 474 . 1 1 38 38 VAL HG22 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1 475 . 1 1 38 38 VAL HG23 H 1 0.86 0.02 . 2 . . . . 38 VAL HG2 . 16051 1 476 . 1 1 38 38 VAL C C 13 172.4 0.2 . 1 . . . . 38 VAL C . 16051 1 477 . 1 1 38 38 VAL CA C 13 58.5 0.2 . 1 . . . . 38 VAL CA . 16051 1 478 . 1 1 38 38 VAL CB C 13 35.3 0.2 . 1 . . . . 38 VAL CB . 16051 1 479 . 1 1 38 38 VAL CG1 C 13 21.2 0.02 . 2 . . . . 38 VAL CG1 . 16051 1 480 . 1 1 38 38 VAL CG2 C 13 21.2 0.02 . 2 . . . . 38 VAL CG2 . 16051 1 481 . 1 1 38 38 VAL N N 15 120.4 0.2 . 1 . . . . 38 VAL N . 16051 1 482 . 1 1 39 39 GLY H H 1 6.44 0.02 . 1 . . . . 39 GLY H . 16051 1 483 . 1 1 39 39 GLY HA2 H 1 3.69 0.02 . 2 . . . . 39 GLY HA2 . 16051 1 484 . 1 1 39 39 GLY HA3 H 1 1.94 0.02 . 2 . . . . 39 GLY HA3 . 16051 1 485 . 1 1 39 39 GLY C C 13 170.6 0.2 . 1 . . . . 39 GLY C . 16051 1 486 . 1 1 39 39 GLY CA C 13 45.3 0.2 . 1 . . . . 39 GLY CA . 16051 1 487 . 1 1 39 39 GLY N N 15 109.6 0.2 . 1 . . . . 39 GLY N . 16051 1 488 . 1 1 40 40 LEU H H 1 8.38 0.02 . 1 . . . . 40 LEU H . 16051 1 489 . 1 1 40 40 LEU HA H 1 4.98 0.02 . 1 . . . . 40 LEU HA . 16051 1 490 . 1 1 40 40 LEU HB2 H 1 1.23 0.02 . 2 . . . . 40 LEU HB2 . 16051 1 491 . 1 1 40 40 LEU HB3 H 1 1.34 0.02 . 2 . . . . 40 LEU HB3 . 16051 1 492 . 1 1 40 40 LEU HD11 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1 493 . 1 1 40 40 LEU HD12 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1 494 . 1 1 40 40 LEU HD13 H 1 0.73 0.02 . 2 . . . . 40 LEU HD1 . 16051 1 495 . 1 1 40 40 LEU HD21 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1 496 . 1 1 40 40 LEU HD22 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1 497 . 1 1 40 40 LEU HD23 H 1 0.90 0.02 . 2 . . . . 40 LEU HD2 . 16051 1 498 . 1 1 40 40 LEU C C 13 176.0 0.2 . 1 . . . . 40 LEU C . 16051 1 499 . 1 1 40 40 LEU CA C 13 53.2 0.2 . 1 . . . . 40 LEU CA . 16051 1 500 . 1 1 40 40 LEU CB C 13 47.4 0.2 . 1 . . . . 40 LEU CB . 16051 1 501 . 1 1 40 40 LEU CD1 C 13 23.4 0.02 . 2 . . . . 40 LEU CD1 . 16051 1 502 . 1 1 40 40 LEU CD2 C 13 25.3 0.02 . 2 . . . . 40 LEU CD2 . 16051 1 503 . 1 1 40 40 LEU N N 15 119.5 0.2 . 1 . . . . 40 LEU N . 16051 1 504 . 1 1 41 41 LEU H H 1 9.41 0.02 . 1 . . . . 41 LEU H . 16051 1 505 . 1 1 41 41 LEU HA H 1 5.32 0.02 . 1 . . . . 41 LEU HA . 16051 1 506 . 1 1 41 41 LEU HB2 H 1 1.17 0.02 . 2 . . . . 41 LEU HB2 . 16051 1 507 . 1 1 41 41 LEU HB3 H 1 1.69 0.02 . 2 . . . . 41 LEU HB3 . 16051 1 508 . 1 1 41 41 LEU HD11 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1 509 . 1 1 41 41 LEU HD12 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1 510 . 1 1 41 41 LEU HD13 H 1 0.29 0.02 . 2 . . . . 41 LEU HD1 . 16051 1 511 . 1 1 41 41 LEU HD21 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1 512 . 1 1 41 41 LEU HD22 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1 513 . 1 1 41 41 LEU HD23 H 1 0.06 0.02 . 2 . . . . 41 LEU HD2 . 16051 1 514 . 1 1 41 41 LEU HG H 1 1.60 0.02 . 2 . . . . 41 LEU HG . 16051 1 515 . 1 1 41 41 LEU C C 13 176.7 0.2 . 1 . . . . 41 LEU C . 16051 1 516 . 1 1 41 41 LEU CA C 13 52.4 0.2 . 1 . . . . 41 LEU CA . 16051 1 517 . 1 1 41 41 LEU CB C 13 44.9 0.2 . 1 . . . . 41 LEU CB . 16051 1 518 . 1 1 41 41 LEU CD1 C 13 25.9 0.02 . 2 . . . . 41 LEU CD1 . 16051 1 519 . 1 1 41 41 LEU CD2 C 13 22.4 0.02 . 2 . . . . 41 LEU CD2 . 16051 1 520 . 1 1 41 41 LEU CG C 13 25.9 0.2 . 1 . . . . 41 LEU CG . 16051 1 521 . 1 1 41 41 LEU N N 15 122.7 0.2 . 1 . . . . 41 LEU N . 16051 1 522 . 1 1 42 42 GLY H H 1 9.21 0.02 . 1 . . . . 42 GLY H . 16051 1 523 . 1 1 42 42 GLY HA2 H 1 3.55 0.02 . 2 . . . . 42 GLY HA2 . 16051 1 524 . 1 1 42 42 GLY HA3 H 1 5.35 0.02 . 2 . . . . 42 GLY HA3 . 16051 1 525 . 1 1 42 42 GLY C C 13 171.2 0.2 . 1 . . . . 42 GLY C . 16051 1 526 . 1 1 42 42 GLY CA C 13 45.7 0.2 . 1 . . . . 42 GLY CA . 16051 1 527 . 1 1 42 42 GLY N N 15 104.6 0.2 . 1 . . . . 42 GLY N . 16051 1 528 . 1 1 43 43 ASP H H 1 8.96 0.02 . 1 . . . . 43 ASP H . 16051 1 529 . 1 1 43 43 ASP HA H 1 4.64 0.02 . 1 . . . . 43 ASP HA . 16051 1 530 . 1 1 43 43 ASP HB2 H 1 3.04 0.02 . 2 . . . . 43 ASP HB2 . 16051 1 531 . 1 1 43 43 ASP HB3 H 1 3.24 0.02 . 2 . . . . 43 ASP HB3 . 16051 1 532 . 1 1 43 43 ASP C C 13 175.6 0.2 . 1 . . . . 43 ASP C . 16051 1 533 . 1 1 43 43 ASP CA C 13 52.7 0.2 . 1 . . . . 43 ASP CA . 16051 1 534 . 1 1 43 43 ASP CB C 13 41.6 0.2 . 1 . . . . 43 ASP CB . 16051 1 535 . 1 1 43 43 ASP N N 15 121.9 0.2 . 1 . . . . 43 ASP N . 16051 1 536 . 1 1 44 44 GLU H H 1 10.15 0.02 . 1 . . . . 44 GLU H . 16051 1 537 . 1 1 44 44 GLU HA H 1 4.38 0.02 . 1 . . . . 44 GLU HA . 16051 1 538 . 1 1 44 44 GLU HB2 H 1 2.04 0.02 . 2 . . . . 44 GLU HB2 . 16051 1 539 . 1 1 44 44 GLU HB3 H 1 2.17 0.02 . 2 . . . . 44 GLU HB3 . 16051 1 540 . 1 1 44 44 GLU HG2 H 1 2.3 0.02 . 2 . . . . 44 GLU HG2 . 16051 1 541 . 1 1 44 44 GLU HG3 H 1 2.57 0.02 . 2 . . . . 44 GLU HG3 . 16051 1 542 . 1 1 44 44 GLU C C 13 176.9 0.2 . 1 . . . . 44 GLU C . 16051 1 543 . 1 1 44 44 GLU CA C 13 59.3 0.2 . 1 . . . . 44 GLU CA . 16051 1 544 . 1 1 44 44 GLU CB C 13 28.1 0.2 . 1 . . . . 44 GLU CB . 16051 1 545 . 1 1 44 44 GLU CG C 13 35.7 0.2 . 1 . . . . 44 GLU CG . 16051 1 546 . 1 1 44 44 GLU N N 15 118 0.2 . 1 . . . . 44 GLU N . 16051 1 547 . 1 1 45 45 THR H H 1 9.6 0.02 . 1 . . . . 45 THR H . 16051 1 548 . 1 1 45 45 THR HA H 1 4.58 0.02 . 1 . . . . 45 THR HA . 16051 1 549 . 1 1 45 45 THR HB H 1 4.2 0.02 . 1 . . . . 45 THR HB . 16051 1 550 . 1 1 45 45 THR HG21 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1 551 . 1 1 45 45 THR HG22 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1 552 . 1 1 45 45 THR HG23 H 1 1.11 0.02 . 1 . . . . 45 THR HG2 . 16051 1 553 . 1 1 45 45 THR C C 13 174.8 0.2 . 1 . . . . 45 THR C . 16051 1 554 . 1 1 45 45 THR CA C 13 61.7 0.2 . 1 . . . . 45 THR CA . 16051 1 555 . 1 1 45 45 THR CB C 13 70 0.2 . 1 . . . . 45 THR CB . 16051 1 556 . 1 1 45 45 THR CG2 C 13 23 0.2 . 1 . . . . 45 THR CG2 . 16051 1 557 . 1 1 45 45 THR N N 15 112 0.2 . 1 . . . . 45 THR N . 16051 1 558 . 1 1 46 46 GLY H H 1 7.64 0.02 . 1 . . . . 46 GLY H . 16051 1 559 . 1 1 46 46 GLY HA2 H 1 3.83 0.02 . 2 . . . . 46 GLY HA2 . 16051 1 560 . 1 1 46 46 GLY HA3 H 1 4 0.02 . 2 . . . . 46 GLY HA3 . 16051 1 561 . 1 1 46 46 GLY C C 13 169.4 0.2 . 1 . . . . 46 GLY C . 16051 1 562 . 1 1 46 46 GLY CA C 13 46 0.2 . 1 . . . . 46 GLY CA . 16051 1 563 . 1 1 46 46 GLY N N 15 110.6 0.2 . 1 . . . . 46 GLY N . 16051 1 564 . 1 1 47 47 ILE H H 1 8 0.02 . 1 . . . . 47 ILE H . 16051 1 565 . 1 1 47 47 ILE HA H 1 5.45 0.02 . 1 . . . . 47 ILE HA . 16051 1 566 . 1 1 47 47 ILE HB H 1 1.71 0.02 . 1 . . . . 47 ILE HB . 16051 1 567 . 1 1 47 47 ILE HD11 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1 568 . 1 1 47 47 ILE HD12 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1 569 . 1 1 47 47 ILE HD13 H 1 0.79 0.02 . 1 . . . . 47 ILE HD1 . 16051 1 570 . 1 1 47 47 ILE HG12 H 1 1.18 0.02 . 2 . . . . 47 ILE HG12 . 16051 1 571 . 1 1 47 47 ILE HG13 H 1 1.46 0.02 . 2 . . . . 47 ILE HG13 . 16051 1 572 . 1 1 47 47 ILE HG21 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1 573 . 1 1 47 47 ILE HG22 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1 574 . 1 1 47 47 ILE HG23 H 1 0.85 0.02 . 1 . . . . 47 ILE HG2 . 16051 1 575 . 1 1 47 47 ILE C C 13 175.2 0.2 . 1 . . . . 47 ILE C . 16051 1 576 . 1 1 47 47 ILE CA C 13 59.1 0.2 . 1 . . . . 47 ILE CA . 16051 1 577 . 1 1 47 47 ILE CB C 13 42.4 0.2 . 1 . . . . 47 ILE CB . 16051 1 578 . 1 1 47 47 ILE CD1 C 13 13.9 0.2 . 1 . . . . 47 ILE CD1 . 16051 1 579 . 1 1 47 47 ILE CG1 C 13 26.7 0.2 . 1 . . . . 47 ILE CG1 . 16051 1 580 . 1 1 47 47 ILE CG2 C 13 18.7 0.2 . 1 . . . . 47 ILE CG2 . 16051 1 581 . 1 1 47 47 ILE N N 15 113.9 0.2 . 1 . . . . 47 ILE N . 16051 1 582 . 1 1 48 48 ILE H H 1 9.34 0.02 . 1 . . . . 48 ILE H . 16051 1 583 . 1 1 48 48 ILE HA H 1 4.64 0.02 . 1 . . . . 48 ILE HA . 16051 1 584 . 1 1 48 48 ILE HB H 1 1.66 0.02 . 1 . . . . 48 ILE HB . 16051 1 585 . 1 1 48 48 ILE HD11 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1 586 . 1 1 48 48 ILE HD12 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1 587 . 1 1 48 48 ILE HD13 H 1 0.8 0.02 . 1 . . . . 48 ILE HD1 . 16051 1 588 . 1 1 48 48 ILE HG12 H 1 1.7 0.02 . 2 . . . . 48 ILE HG12 . 16051 1 589 . 1 1 48 48 ILE HG13 H 1 1.88 0.02 . 2 . . . . 48 ILE HG13 . 16051 1 590 . 1 1 48 48 ILE HG21 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1 591 . 1 1 48 48 ILE HG22 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1 592 . 1 1 48 48 ILE HG23 H 1 0.67 0.02 . 1 . . . . 48 ILE HG2 . 16051 1 593 . 1 1 48 48 ILE C C 13 171.5 0.2 . 1 . . . . 48 ILE C . 16051 1 594 . 1 1 48 48 ILE CA C 13 60.6 0.2 . 1 . . . . 48 ILE CA . 16051 1 595 . 1 1 48 48 ILE CB C 13 42 0.2 . 1 . . . . 48 ILE CB . 16051 1 596 . 1 1 48 48 ILE CD1 C 13 15.6 0.2 . 1 . . . . 48 ILE CD1 . 16051 1 597 . 1 1 48 48 ILE CG1 C 13 29.4 0.2 . 1 . . . . 48 ILE CG1 . 16051 1 598 . 1 1 48 48 ILE CG2 C 13 15.6 0.2 . 1 . . . . 48 ILE CG2 . 16051 1 599 . 1 1 48 48 ILE N N 15 123.6 0.2 . 1 . . . . 48 ILE N . 16051 1 600 . 1 1 49 49 LYS H H 1 8.35 0.02 . 1 . . . . 49 LYS H . 16051 1 601 . 1 1 49 49 LYS HA H 1 4.82 0.02 . 1 . . . . 49 LYS HA . 16051 1 602 . 1 1 49 49 LYS HB2 H 1 1.51 0.02 . 2 . . . . 49 LYS HB2 . 16051 1 603 . 1 1 49 49 LYS HB3 H 1 1.72 0.02 . 2 . . . . 49 LYS HB3 . 16051 1 604 . 1 1 49 49 LYS HD2 H 1 0.90 0.02 . 2 . . . . 49 LYS HD2 . 16051 1 605 . 1 1 49 49 LYS HD3 H 1 1.29 0.02 . 2 . . . . 49 LYS HD3 . 16051 1 606 . 1 1 49 49 LYS HE2 H 1 2.41 0.02 . 2 . . . . 49 LYS HE2 . 16051 1 607 . 1 1 49 49 LYS HE3 H 1 2.62 0.02 . 2 . . . . 49 LYS HE3 . 16051 1 608 . 1 1 49 49 LYS HG2 H 1 0.96 0.02 . 2 . . . . 49 LYS HG2 . 16051 1 609 . 1 1 49 49 LYS HG3 H 1 1.17 0.02 . 2 . . . . 49 LYS HG3 . 16051 1 610 . 1 1 49 49 LYS C C 13 174.7 0.2 . 1 . . . . 49 LYS C . 16051 1 611 . 1 1 49 49 LYS CA C 13 56.4 0.2 . 1 . . . . 49 LYS CA . 16051 1 612 . 1 1 49 49 LYS CB C 13 33.8 0.2 . 1 . . . . 49 LYS CB . 16051 1 613 . 1 1 49 49 LYS CD C 13 29.9 0.2 . 1 . . . . 49 LYS CD . 16051 1 614 . 1 1 49 49 LYS CE C 13 42.6 0.2 . 1 . . . . 49 LYS CE . 16051 1 615 . 1 1 49 49 LYS CG C 13 25.5 0.2 . 1 . . . . 49 LYS CG . 16051 1 616 . 1 1 49 49 LYS N N 15 129.1 0.2 . 1 . . . . 49 LYS N . 16051 1 617 . 1 1 50 50 PHE H H 1 8.57 0.02 . 1 . . . . 50 PHE H . 16051 1 618 . 1 1 50 50 PHE HA H 1 5.82 0.02 . 1 . . . . 50 PHE HA . 16051 1 619 . 1 1 50 50 PHE HB2 H 1 2.42 0.02 . 2 . . . . 50 PHE HB2 . 16051 1 620 . 1 1 50 50 PHE HB3 H 1 2.56 0.02 . 2 . . . . 50 PHE HB3 . 16051 1 621 . 1 1 50 50 PHE HD1 H 1 6.59 0.02 . 3 . . . . 50 PHE HD1 . 16051 1 622 . 1 1 50 50 PHE HD2 H 1 6.59 0.02 . 3 . . . . 50 PHE HD2 . 16051 1 623 . 1 1 50 50 PHE HE1 H 1 6.73 0.02 . 3 . . . . 50 PHE HE1 . 16051 1 624 . 1 1 50 50 PHE HE2 H 1 6.73 0.02 . 3 . . . . 50 PHE HE2 . 16051 1 625 . 1 1 50 50 PHE HZ H 1 6.6 0.02 . 1 . . . . 50 PHE HZ . 16051 1 626 . 1 1 50 50 PHE C C 13 172.1 0.2 . 1 . . . . 50 PHE C . 16051 1 627 . 1 1 50 50 PHE CA C 13 54.8 0.2 . 1 . . . . 50 PHE CA . 16051 1 628 . 1 1 50 50 PHE CB C 13 43.9 0.2 . 1 . . . . 50 PHE CB . 16051 1 629 . 1 1 50 50 PHE CD1 C 13 131.7 0.02 . 3 . . . . 50 PHE CD1 . 16051 1 630 . 1 1 50 50 PHE CD2 C 13 131.7 0.02 . 3 . . . . 50 PHE CD2 . 16051 1 631 . 1 1 50 50 PHE CE1 C 13 129.8 0.02 . 3 . . . . 50 PHE CE1 . 16051 1 632 . 1 1 50 50 PHE CE2 C 13 129.8 0.02 . 3 . . . . 50 PHE CE2 . 16051 1 633 . 1 1 50 50 PHE CZ C 13 128.6 0.2 . 1 . . . . 50 PHE CZ . 16051 1 634 . 1 1 50 50 PHE N N 15 122.7 0.2 . 1 . . . . 50 PHE N . 16051 1 635 . 1 1 51 51 THR H H 1 8.19 0.02 . 1 . . . . 51 THR H . 16051 1 636 . 1 1 51 51 THR HA H 1 4.32 0.02 . 1 . . . . 51 THR HA . 16051 1 637 . 1 1 51 51 THR HB H 1 3.39 0.02 . 1 . . . . 51 THR HB . 16051 1 638 . 1 1 51 51 THR HG21 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1 639 . 1 1 51 51 THR HG22 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1 640 . 1 1 51 51 THR HG23 H 1 0.17 0.02 . 1 . . . . 51 THR HG2 . 16051 1 641 . 1 1 51 51 THR C C 13 172.9 0.2 . 1 . . . . 51 THR C . 16051 1 642 . 1 1 51 51 THR CA C 13 61.7 0.2 . 1 . . . . 51 THR CA . 16051 1 643 . 1 1 51 51 THR CB C 13 72.5 0.2 . 1 . . . . 51 THR CB . 16051 1 644 . 1 1 51 51 THR CG2 C 13 21.3 0.2 . 1 . . . . 51 THR CG2 . 16051 1 645 . 1 1 51 51 THR N N 15 114.4 0.2 . 1 . . . . 51 THR N . 16051 1 646 . 1 1 52 52 ILE H H 1 8.88 0.02 . 1 . . . . 52 ILE H . 16051 1 647 . 1 1 52 52 ILE HA H 1 4.65 0.02 . 1 . . . . 52 ILE HA . 16051 1 648 . 1 1 52 52 ILE HB H 1 1.76 0.02 . 1 . . . . 52 ILE HB . 16051 1 649 . 1 1 52 52 ILE HD11 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1 650 . 1 1 52 52 ILE HD12 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1 651 . 1 1 52 52 ILE HD13 H 1 0.77 0.02 . 1 . . . . 52 ILE HD1 . 16051 1 652 . 1 1 52 52 ILE HG12 H 1 1.65 0.02 . 2 . . . . 52 ILE HG12 . 16051 1 653 . 1 1 52 52 ILE HG13 H 1 1.74 0.02 . 2 . . . . 52 ILE HG13 . 16051 1 654 . 1 1 52 52 ILE HG21 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1 655 . 1 1 52 52 ILE HG22 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1 656 . 1 1 52 52 ILE HG23 H 1 0.89 0.02 . 1 . . . . 52 ILE HG2 . 16051 1 657 . 1 1 52 52 ILE C C 13 176.0 0.2 . 1 . . . . 52 ILE C . 16051 1 658 . 1 1 52 52 ILE CA C 13 60.5 0.2 . 1 . . . . 52 ILE CA . 16051 1 659 . 1 1 52 52 ILE CB C 13 38.9 0.2 . 1 . . . . 52 ILE CB . 16051 1 660 . 1 1 52 52 ILE CD1 C 13 13.2 0.2 . 1 . . . . 52 ILE CD1 . 16051 1 661 . 1 1 52 52 ILE CG1 C 13 26.7 0.2 . 1 . . . . 52 ILE CG1 . 16051 1 662 . 1 1 52 52 ILE CG2 C 13 16.8 0.2 . 1 . . . . 52 ILE CG2 . 16051 1 663 . 1 1 52 52 ILE N N 15 123.4 0.2 . 1 . . . . 52 ILE N . 16051 1 664 . 1 1 53 53 TRP H H 1 8.02 0.02 . 1 . . . . 53 TRP H . 16051 1 665 . 1 1 53 53 TRP HA H 1 4.74 0.02 . 1 . . . . 53 TRP HA . 16051 1 666 . 1 1 53 53 TRP HB2 H 1 3.14 0.02 . 2 . . . . 53 TRP HB2 . 16051 1 667 . 1 1 53 53 TRP HB3 H 1 3.69 0.02 . 2 . . . . 53 TRP HB3 . 16051 1 668 . 1 1 53 53 TRP HD1 H 1 7.19 0.02 . 1 . . . . 53 TRP HD1 . 16051 1 669 . 1 1 53 53 TRP HE1 H 1 10.1 0.02 . 1 . . . . 53 TRP HE1 . 16051 1 670 . 1 1 53 53 TRP HE3 H 1 7.69 0.02 . 1 . . . . 53 TRP HE3 . 16051 1 671 . 1 1 53 53 TRP HH2 H 1 7.05 0.02 . 1 . . . . 53 TRP HH2 . 16051 1 672 . 1 1 53 53 TRP HZ2 H 1 7.29 0.02 . 1 . . . . 53 TRP HZ2 . 16051 1 673 . 1 1 53 53 TRP HZ3 H 1 6.88 0.02 . 1 . . . . 53 TRP HZ3 . 16051 1 674 . 1 1 53 53 TRP C C 13 177.5 0.2 . 1 . . . . 53 TRP C . 16051 1 675 . 1 1 53 53 TRP CA C 13 57.7 0.2 . 1 . . . . 53 TRP CA . 16051 1 676 . 1 1 53 53 TRP CB C 13 30.4 0.2 . 1 . . . . 53 TRP CB . 16051 1 677 . 1 1 53 53 TRP CD1 C 13 127.4 0.2 . 1 . . . . 53 TRP CD1 . 16051 1 678 . 1 1 53 53 TRP CE3 C 13 121.1 0.2 . 1 . . . . 53 TRP CE3 . 16051 1 679 . 1 1 53 53 TRP CH2 C 13 124.6 0.2 . 1 . . . . 53 TRP CH2 . 16051 1 680 . 1 1 53 53 TRP CZ2 C 13 114.4 0.2 . 1 . . . . 53 TRP CZ2 . 16051 1 681 . 1 1 53 53 TRP CZ3 C 13 122.4 0.2 . 1 . . . . 53 TRP CZ3 . 16051 1 682 . 1 1 53 53 TRP N N 15 129.5 0.2 . 1 . . . . 53 TRP N . 16051 1 683 . 1 1 53 53 TRP NE1 N 15 128.5 0.2 . 1 . . . . 53 TRP NE1 . 16051 1 684 . 1 1 54 54 LYS H H 1 8.98 0.02 . 1 . . . . 54 LYS H . 16051 1 685 . 1 1 54 54 LYS HA H 1 4.10 0.02 . 1 . . . . 54 LYS HA . 16051 1 686 . 1 1 54 54 LYS HB2 H 1 1.58 0.02 . 2 . . . . 54 LYS HB2 . 16051 1 687 . 1 1 54 54 LYS HB3 H 1 1.82 0.02 . 2 . . . . 54 LYS HB3 . 16051 1 688 . 1 1 54 54 LYS HD2 H 1 1.66 0.02 . 2 . . . . 54 LYS HD2 . 16051 1 689 . 1 1 54 54 LYS HD3 H 1 1.71 0.02 . 2 . . . . 54 LYS HD3 . 16051 1 690 . 1 1 54 54 LYS HE2 H 1 2.93 0.02 . 2 . . . . 54 LYS HE2 . 16051 1 691 . 1 1 54 54 LYS HE3 H 1 2.97 0.02 . 2 . . . . 54 LYS HE3 . 16051 1 692 . 1 1 54 54 LYS HG2 H 1 1.34 0.02 . 2 . . . . 54 LYS HG2 . 16051 1 693 . 1 1 54 54 LYS HG3 H 1 1.41 0.02 . 2 . . . . 54 LYS HG3 . 16051 1 694 . 1 1 54 54 LYS C C 13 177.7 0.2 . 1 . . . . 54 LYS C . 16051 1 695 . 1 1 54 54 LYS CA C 13 59.4 0.2 . 1 . . . . 54 LYS CA . 16051 1 696 . 1 1 54 54 LYS CB C 13 32.4 0.2 . 1 . . . . 54 LYS CB . 16051 1 697 . 1 1 54 54 LYS CD C 13 29.1 0.2 . 1 . . . . 54 LYS CD . 16051 1 698 . 1 1 54 54 LYS CE C 13 41.8 0.2 . 1 . . . . 54 LYS CE . 16051 1 699 . 1 1 54 54 LYS CG C 13 25.4 0.2 . 1 . . . . 54 LYS CG . 16051 1 700 . 1 1 54 54 LYS N N 15 125.5 0.2 . 1 . . . . 54 LYS N . 16051 1 701 . 1 1 55 55 ASN H H 1 8.6 0.02 . 1 . . . . 55 ASN H . 16051 1 702 . 1 1 55 55 ASN HA H 1 4.51 0.02 . 1 . . . . 55 ASN HA . 16051 1 703 . 1 1 55 55 ASN HB2 H 1 2.8 0.02 . 2 . . . . 55 ASN HB2 . 16051 1 704 . 1 1 55 55 ASN HB3 H 1 3.11 0.02 . 2 . . . . 55 ASN HB3 . 16051 1 705 . 1 1 55 55 ASN HD21 H 1 7.46 0.02 . 2 . . . . 55 ASN HD21 . 16051 1 706 . 1 1 55 55 ASN HD22 H 1 6.62 0.02 . 2 . . . . 55 ASN HD22 . 16051 1 707 . 1 1 55 55 ASN C C 13 175.3 0.2 . 1 . . . . 55 ASN C . 16051 1 708 . 1 1 55 55 ASN CA C 13 53.7 0.2 . 1 . . . . 55 ASN CA . 16051 1 709 . 1 1 55 55 ASN CB C 13 37.1 0.2 . 1 . . . . 55 ASN CB . 16051 1 710 . 1 1 55 55 ASN N N 15 115.4 0.2 . 1 . . . . 55 ASN N . 16051 1 711 . 1 1 55 55 ASN ND2 N 15 109.4 0.2 . 1 . . . . 55 ASN ND2 . 16051 1 712 . 1 1 56 56 ALA H H 1 7.63 0.02 . 1 . . . . 56 ALA H . 16051 1 713 . 1 1 56 56 ALA HA H 1 3.97 0.02 . 1 . . . . 56 ALA HA . 16051 1 714 . 1 1 56 56 ALA HB1 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1 715 . 1 1 56 56 ALA HB2 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1 716 . 1 1 56 56 ALA HB3 H 1 1.33 0.02 . 1 . . . . 56 ALA HB . 16051 1 717 . 1 1 56 56 ALA C C 13 176.1 0.2 . 1 . . . . 56 ALA C . 16051 1 718 . 1 1 56 56 ALA CA C 13 53.5 0.2 . 1 . . . . 56 ALA CA . 16051 1 719 . 1 1 56 56 ALA CB C 13 18.4 0.2 . 1 . . . . 56 ALA CB . 16051 1 720 . 1 1 56 56 ALA N N 15 121.2 0.2 . 1 . . . . 56 ALA N . 16051 1 721 . 1 1 57 57 GLU H H 1 7.88 0.02 . 1 . . . . 57 GLU H . 16051 1 722 . 1 1 57 57 GLU HA H 1 3.94 0.02 . 1 . . . . 57 GLU HA . 16051 1 723 . 1 1 57 57 GLU HB2 H 1 2.08 0.02 . 2 . . . . 57 GLU HB2 . 16051 1 724 . 1 1 57 57 GLU HB3 H 1 2.08 0.02 . 2 . . . . 57 GLU HB3 . 16051 1 725 . 1 1 57 57 GLU HG2 H 1 2.16 0.02 . 2 . . . . 57 GLU HG2 . 16051 1 726 . 1 1 57 57 GLU HG3 H 1 2.16 0.02 . 2 . . . . 57 GLU HG3 . 16051 1 727 . 1 1 57 57 GLU C C 13 175.4 0.2 . 1 . . . . 57 GLU C . 16051 1 728 . 1 1 57 57 GLU CA C 13 56.7 0.2 . 1 . . . . 57 GLU CA . 16051 1 729 . 1 1 57 57 GLU CB C 13 27.3 0.2 . 1 . . . . 57 GLU CB . 16051 1 730 . 1 1 57 57 GLU CG C 13 36.3 0.2 . 1 . . . . 57 GLU CG . 16051 1 731 . 1 1 57 57 GLU N N 15 112.5 0.2 . 1 . . . . 57 GLU N . 16051 1 732 . 1 1 58 58 LEU H H 1 7.91 0.02 . 1 . . . . 58 LEU H . 16051 1 733 . 1 1 58 58 LEU HA H 1 4.74 0.02 . 1 . . . . 58 LEU HA . 16051 1 734 . 1 1 58 58 LEU HB2 H 1 1.33 0.02 . 2 . . . . 58 LEU HB2 . 16051 1 735 . 1 1 58 58 LEU HB3 H 1 1.33 0.02 . 2 . . . . 58 LEU HB3 . 16051 1 736 . 1 1 58 58 LEU HD11 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1 737 . 1 1 58 58 LEU HD12 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1 738 . 1 1 58 58 LEU HD13 H 1 0.65 0.02 . 2 . . . . 58 LEU HD1 . 16051 1 739 . 1 1 58 58 LEU HD21 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1 740 . 1 1 58 58 LEU HD22 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1 741 . 1 1 58 58 LEU HD23 H 1 0.9 0.02 . 2 . . . . 58 LEU HD2 . 16051 1 742 . 1 1 58 58 LEU HG H 1 1.5 0.02 . 1 . . . . 58 LEU HG . 16051 1 743 . 1 1 58 58 LEU C C 13 175.4 0.2 . 1 . . . . 58 LEU C . 16051 1 744 . 1 1 58 58 LEU CA C 13 52.3 0.2 . 1 . . . . 58 LEU CA . 16051 1 745 . 1 1 58 58 LEU CB C 13 42.9 0.2 . 1 . . . . 58 LEU CB . 16051 1 746 . 1 1 58 58 LEU CD1 C 13 26.9 0.02 . 2 . . . . 58 LEU CD1 . 16051 1 747 . 1 1 58 58 LEU CD2 C 13 23.3 0.02 . 2 . . . . 58 LEU CD2 . 16051 1 748 . 1 1 58 58 LEU CG C 13 26.3 0.2 . 1 . . . . 58 LEU CG . 16051 1 749 . 1 1 58 58 LEU N N 15 120 0.2 . 1 . . . . 58 LEU N . 16051 1 750 . 1 1 59 59 PRO HA H 1 4.38 0.02 . 1 . . . . 59 PRO HA . 16051 1 751 . 1 1 59 59 PRO HB2 H 1 1.73 0.02 . 2 . . . . 59 PRO HB2 . 16051 1 752 . 1 1 59 59 PRO HB3 H 1 2.25 0.02 . 2 . . . . 59 PRO HB3 . 16051 1 753 . 1 1 59 59 PRO HD2 H 1 3.43 0.02 . 2 . . . . 59 PRO HD2 . 16051 1 754 . 1 1 59 59 PRO HD3 H 1 3.78 0.02 . 2 . . . . 59 PRO HD3 . 16051 1 755 . 1 1 59 59 PRO HG2 H 1 1.88 0.02 . 2 . . . . 59 PRO HG2 . 16051 1 756 . 1 1 59 59 PRO HG3 H 1 1.96 0.02 . 2 . . . . 59 PRO HG3 . 16051 1 757 . 1 1 59 59 PRO CA C 13 62.2 0.2 . 1 . . . . 59 PRO CA . 16051 1 758 . 1 1 59 59 PRO CB C 13 32 0.2 . 1 . . . . 59 PRO CB . 16051 1 759 . 1 1 59 59 PRO CD C 13 50.6 0.2 . 1 . . . . 59 PRO CD . 16051 1 760 . 1 1 59 59 PRO CG C 13 27.3 0.2 . 1 . . . . 59 PRO CG . 16051 1 761 . 1 1 60 60 LEU H H 1 7.86 0.02 . 1 . . . . 60 LEU H . 16051 1 762 . 1 1 60 60 LEU HA H 1 3.92 0.02 . 1 . . . . 60 LEU HA . 16051 1 763 . 1 1 60 60 LEU HB2 H 1 1.29 0.02 . 2 . . . . 60 LEU HB2 . 16051 1 764 . 1 1 60 60 LEU HB3 H 1 1.54 0.02 . 2 . . . . 60 LEU HB3 . 16051 1 765 . 1 1 60 60 LEU HD11 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1 766 . 1 1 60 60 LEU HD12 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1 767 . 1 1 60 60 LEU HD13 H 1 0.88 0.02 . 2 . . . . 60 LEU HD1 . 16051 1 768 . 1 1 60 60 LEU HD21 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1 769 . 1 1 60 60 LEU HD22 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1 770 . 1 1 60 60 LEU HD23 H 1 0.75 0.02 . 2 . . . . 60 LEU HD2 . 16051 1 771 . 1 1 60 60 LEU HG H 1 1.67 0.02 . 1 . . . . 60 LEU HG . 16051 1 772 . 1 1 60 60 LEU C C 13 178.3 0.2 . 1 . . . . 60 LEU C . 16051 1 773 . 1 1 60 60 LEU CA C 13 55 0.2 . 1 . . . . 60 LEU CA . 16051 1 774 . 1 1 60 60 LEU CB C 13 41.8 0.2 . 1 . . . . 60 LEU CB . 16051 1 775 . 1 1 60 60 LEU CD1 C 13 25.5 0.02 . 2 . . . . 60 LEU CD1 . 16051 1 776 . 1 1 60 60 LEU CD2 C 13 22.7 0.02 . 2 . . . . 60 LEU CD2 . 16051 1 777 . 1 1 60 60 LEU CG C 13 27.1 0.2 . 1 . . . . 60 LEU CG . 16051 1 778 . 1 1 60 60 LEU N N 15 117.5 0.2 . 1 . . . . 60 LEU N . 16051 1 779 . 1 1 61 61 LEU H H 1 9.68 0.02 . 1 . . . . 61 LEU H . 16051 1 780 . 1 1 61 61 LEU HA H 1 4.04 0.02 . 1 . . . . 61 LEU HA . 16051 1 781 . 1 1 61 61 LEU HB2 H 1 0.96 0.02 . 2 . . . . 61 LEU HB2 . 16051 1 782 . 1 1 61 61 LEU HB3 H 1 1.3 0.02 . 2 . . . . 61 LEU HB3 . 16051 1 783 . 1 1 61 61 LEU HD11 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1 784 . 1 1 61 61 LEU HD12 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1 785 . 1 1 61 61 LEU HD13 H 1 -0.38 0.02 . 2 . . . . 61 LEU HD1 . 16051 1 786 . 1 1 61 61 LEU HD21 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1 787 . 1 1 61 61 LEU HD22 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1 788 . 1 1 61 61 LEU HD23 H 1 -0.13 0.02 . 2 . . . . 61 LEU HD2 . 16051 1 789 . 1 1 61 61 LEU HG H 1 1.27 0.02 . 1 . . . . 61 LEU HG . 16051 1 790 . 1 1 61 61 LEU C C 13 177.3 0.2 . 1 . . . . 61 LEU C . 16051 1 791 . 1 1 61 61 LEU CA C 13 54.1 0.2 . 1 . . . . 61 LEU CA . 16051 1 792 . 1 1 61 61 LEU CB C 13 41.3 0.2 . 1 . . . . 61 LEU CB . 16051 1 793 . 1 1 61 61 LEU CD1 C 13 20.8 0.02 . 2 . . . . 61 LEU CD1 . 16051 1 794 . 1 1 61 61 LEU CD2 C 13 25.0 0.02 . 2 . . . . 61 LEU CD2 . 16051 1 795 . 1 1 61 61 LEU CG C 13 26.1 0.2 . 1 . . . . 61 LEU CG . 16051 1 796 . 1 1 61 61 LEU N N 15 122.3 0.2 . 1 . . . . 61 LEU N . 16051 1 797 . 1 1 62 62 GLU H H 1 8.39 0.02 . 1 . . . . 62 GLU H . 16051 1 798 . 1 1 62 62 GLU HA H 1 4.43 0.02 . 1 . . . . 62 GLU HA . 16051 1 799 . 1 1 62 62 GLU HB2 H 1 1.81 0.02 . 2 . . . . 62 GLU HB2 . 16051 1 800 . 1 1 62 62 GLU HB3 H 1 1.99 0.02 . 2 . . . . 62 GLU HB3 . 16051 1 801 . 1 1 62 62 GLU HG2 H 1 2.16 0.02 . 2 . . . . 62 GLU HG2 . 16051 1 802 . 1 1 62 62 GLU HG3 H 1 2.16 0.02 . 2 . . . . 62 GLU HG3 . 16051 1 803 . 1 1 62 62 GLU C C 13 175.6 0.2 . 1 . . . . 62 GLU C . 16051 1 804 . 1 1 62 62 GLU CA C 13 54.8 0.2 . 1 . . . . 62 GLU CA . 16051 1 805 . 1 1 62 62 GLU CB C 13 32.2 0.2 . 1 . . . . 62 GLU CB . 16051 1 806 . 1 1 62 62 GLU CG C 13 36.3 0.2 . 1 . . . . 62 GLU CG . 16051 1 807 . 1 1 62 62 GLU N N 15 120.5 0.2 . 1 . . . . 62 GLU N . 16051 1 808 . 1 1 63 63 GLN H H 1 8.78 0.02 . 1 . . . . 63 GLN H . 16051 1 809 . 1 1 63 63 GLN HA H 1 3.7 0.02 . 1 . . . . 63 GLN HA . 16051 1 810 . 1 1 63 63 GLN HB2 H 1 2 0.02 . 2 . . . . 63 GLN HB2 . 16051 1 811 . 1 1 63 63 GLN HB3 H 1 2 0.02 . 2 . . . . 63 GLN HB3 . 16051 1 812 . 1 1 63 63 GLN HE21 H 1 7.42 0.02 . 2 . . . . 63 GLN HE21 . 16051 1 813 . 1 1 63 63 GLN HE22 H 1 6.88 0.02 . 2 . . . . 63 GLN HE22 . 16051 1 814 . 1 1 63 63 GLN HG2 H 1 2.06 0.02 . 2 . . . . 63 GLN HG2 . 16051 1 815 . 1 1 63 63 GLN HG3 H 1 2.33 0.02 . 2 . . . . 63 GLN HG3 . 16051 1 816 . 1 1 63 63 GLN C C 13 176.6 0.2 . 1 . . . . 63 GLN C . 16051 1 817 . 1 1 63 63 GLN CA C 13 58.1 0.2 . 1 . . . . 63 GLN CA . 16051 1 818 . 1 1 63 63 GLN CB C 13 28.3 0.2 . 1 . . . . 63 GLN CB . 16051 1 819 . 1 1 63 63 GLN CG C 13 34 0.2 . 1 . . . . 63 GLN CG . 16051 1 820 . 1 1 63 63 GLN N N 15 123.3 0.2 . 1 . . . . 63 GLN N . 16051 1 821 . 1 1 63 63 GLN NE2 N 15 111.4 0.2 . 1 . . . . 63 GLN NE2 . 16051 1 822 . 1 1 64 64 GLY H H 1 9.14 0.02 . 1 . . . . 64 GLY H . 16051 1 823 . 1 1 64 64 GLY HA2 H 1 3.58 0.02 . 2 . . . . 64 GLY HA2 . 16051 1 824 . 1 1 64 64 GLY HA3 H 1 4.39 0.02 . 2 . . . . 64 GLY HA3 . 16051 1 825 . 1 1 64 64 GLY C C 13 173.9 0.2 . 1 . . . . 64 GLY C . 16051 1 826 . 1 1 64 64 GLY CA C 13 45.3 0.2 . 1 . . . . 64 GLY CA . 16051 1 827 . 1 1 64 64 GLY N N 15 115.1 0.2 . 1 . . . . 64 GLY N . 16051 1 828 . 1 1 65 65 GLU H H 1 7.59 0.02 . 1 . . . . 65 GLU H . 16051 1 829 . 1 1 65 65 GLU HA H 1 4.49 0.02 . 1 . . . . 65 GLU HA . 16051 1 830 . 1 1 65 65 GLU HB2 H 1 1.76 0.02 . 2 . . . . 65 GLU HB2 . 16051 1 831 . 1 1 65 65 GLU HB3 H 1 2.22 0.02 . 2 . . . . 65 GLU HB3 . 16051 1 832 . 1 1 65 65 GLU HG2 H 1 1.99 0.02 . 2 . . . . 65 GLU HG2 . 16051 1 833 . 1 1 65 65 GLU HG3 H 1 2.13 0.02 . 2 . . . . 65 GLU HG3 . 16051 1 834 . 1 1 65 65 GLU C C 13 174.2 0.2 . 1 . . . . 65 GLU C . 16051 1 835 . 1 1 65 65 GLU CA C 13 54.9 0.2 . 1 . . . . 65 GLU CA . 16051 1 836 . 1 1 65 65 GLU CB C 13 30.5 0.2 . 1 . . . . 65 GLU CB . 16051 1 837 . 1 1 65 65 GLU CG C 13 36.4 0.2 . 1 . . . . 65 GLU CG . 16051 1 838 . 1 1 65 65 GLU N N 15 120.3 0.2 . 1 . . . . 65 GLU N . 16051 1 839 . 1 1 66 66 SER H H 1 8.7 0.02 . 1 . . . . 66 SER H . 16051 1 840 . 1 1 66 66 SER HA H 1 5.33 0.02 . 1 . . . . 66 SER HA . 16051 1 841 . 1 1 66 66 SER HB2 H 1 3.48 0.02 . 2 . . . . 66 SER HB2 . 16051 1 842 . 1 1 66 66 SER HB3 H 1 3.57 0.02 . 2 . . . . 66 SER HB3 . 16051 1 843 . 1 1 66 66 SER C C 13 174.1 0.2 . 1 . . . . 66 SER C . 16051 1 844 . 1 1 66 66 SER CA C 13 58.3 0.2 . 1 . . . . 66 SER CA . 16051 1 845 . 1 1 66 66 SER CB C 13 65.5 0.2 . 1 . . . . 66 SER CB . 16051 1 846 . 1 1 66 66 SER N N 15 116.5 0.2 . 1 . . . . 66 SER N . 16051 1 847 . 1 1 67 67 TYR H H 1 9.09 0.02 . 1 . . . . 67 TYR H . 16051 1 848 . 1 1 67 67 TYR HA H 1 5.11 0.02 . 1 . . . . 67 TYR HA . 16051 1 849 . 1 1 67 67 TYR HB2 H 1 2.18 0.02 . 2 . . . . 67 TYR HB2 . 16051 1 850 . 1 1 67 67 TYR HB3 H 1 2.72 0.02 . 2 . . . . 67 TYR HB3 . 16051 1 851 . 1 1 67 67 TYR HD1 H 1 6.69 0.02 . 3 . . . . 67 TYR HD1 . 16051 1 852 . 1 1 67 67 TYR HD2 H 1 6.69 0.02 . 3 . . . . 67 TYR HD2 . 16051 1 853 . 1 1 67 67 TYR HE1 H 1 6.7 0.02 . 3 . . . . 67 TYR HE1 . 16051 1 854 . 1 1 67 67 TYR HE2 H 1 6.7 0.02 . 3 . . . . 67 TYR HE2 . 16051 1 855 . 1 1 67 67 TYR C C 13 173.9 0.2 . 1 . . . . 67 TYR C . 16051 1 856 . 1 1 67 67 TYR CA C 13 57.5 0.2 . 1 . . . . 67 TYR CA . 16051 1 857 . 1 1 67 67 TYR CB C 13 43.9 0.2 . 1 . . . . 67 TYR CB . 16051 1 858 . 1 1 67 67 TYR CD1 C 13 133.4 0.02 . 3 . . . . 67 TYR CD1 . 16051 1 859 . 1 1 67 67 TYR CD2 C 13 133.4 0.02 . 3 . . . . 67 TYR CD2 . 16051 1 860 . 1 1 67 67 TYR CE1 C 13 118.1 0.02 . 3 . . . . 67 TYR CE1 . 16051 1 861 . 1 1 67 67 TYR CE2 C 13 118.1 0.02 . 3 . . . . 67 TYR CE2 . 16051 1 862 . 1 1 67 67 TYR N N 15 119 0.2 . 1 . . . . 67 TYR N . 16051 1 863 . 1 1 68 68 LEU H H 1 9.23 0.02 . 1 . . . . 68 LEU H . 16051 1 864 . 1 1 68 68 LEU HA H 1 5 0.02 . 1 . . . . 68 LEU HA . 16051 1 865 . 1 1 68 68 LEU HB2 H 1 1.35 0.02 . 2 . . . . 68 LEU HB2 . 16051 1 866 . 1 1 68 68 LEU HB3 H 1 1.85 0.02 . 2 . . . . 68 LEU HB3 . 16051 1 867 . 1 1 68 68 LEU HD11 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1 868 . 1 1 68 68 LEU HD12 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1 869 . 1 1 68 68 LEU HD13 H 1 0.68 0.02 . 2 . . . . 68 LEU HD1 . 16051 1 870 . 1 1 68 68 LEU HD21 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1 871 . 1 1 68 68 LEU HD22 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1 872 . 1 1 68 68 LEU HD23 H 1 0.77 0.02 . 2 . . . . 68 LEU HD2 . 16051 1 873 . 1 1 68 68 LEU HG H 1 1.33 0.02 . 1 . . . . 68 LEU HG . 16051 1 874 . 1 1 68 68 LEU C C 13 175.3 0.2 . 1 . . . . 68 LEU C . 16051 1 875 . 1 1 68 68 LEU CA C 13 54.3 0.2 . 1 . . . . 68 LEU CA . 16051 1 876 . 1 1 68 68 LEU CB C 13 43.8 0.2 . 1 . . . . 68 LEU CB . 16051 1 877 . 1 1 68 68 LEU CD1 C 13 23.8 0.02 . 2 . . . . 68 LEU CD1 . 16051 1 878 . 1 1 68 68 LEU CD2 C 13 26 0.02 . 2 . . . . 68 LEU CD2 . 16051 1 879 . 1 1 68 68 LEU CG C 13 28.3 0.2 . 1 . . . . 68 LEU CG . 16051 1 880 . 1 1 68 68 LEU N N 15 121.8 0.2 . 1 . . . . 68 LEU N . 16051 1 881 . 1 1 69 69 LEU H H 1 9.46 0.02 . 1 . . . . 69 LEU H . 16051 1 882 . 1 1 69 69 LEU HA H 1 5.01 0.02 . 1 . . . . 69 LEU HA . 16051 1 883 . 1 1 69 69 LEU HB2 H 1 1.16 0.02 . 2 . . . . 69 LEU HB2 . 16051 1 884 . 1 1 69 69 LEU HB3 H 1 1.66 0.02 . 2 . . . . 69 LEU HB3 . 16051 1 885 . 1 1 69 69 LEU HD11 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1 886 . 1 1 69 69 LEU HD12 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1 887 . 1 1 69 69 LEU HD13 H 1 0.58 0.02 . 2 . . . . 69 LEU HD1 . 16051 1 888 . 1 1 69 69 LEU HD21 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1 889 . 1 1 69 69 LEU HD22 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1 890 . 1 1 69 69 LEU HD23 H 1 0.44 0.02 . 2 . . . . 69 LEU HD2 . 16051 1 891 . 1 1 69 69 LEU HG H 1 1.4 0.02 . 1 . . . . 69 LEU HG . 16051 1 892 . 1 1 69 69 LEU C C 13 175.0 0.2 . 1 . . . . 69 LEU C . 16051 1 893 . 1 1 69 69 LEU CA C 13 54.1 0.2 . 1 . . . . 69 LEU CA . 16051 1 894 . 1 1 69 69 LEU CB C 13 42.3 0.2 . 1 . . . . 69 LEU CB . 16051 1 895 . 1 1 69 69 LEU CD1 C 13 26.8 0.02 . 2 . . . . 69 LEU CD1 . 16051 1 896 . 1 1 69 69 LEU CD2 C 13 26.5 0.02 . 2 . . . . 69 LEU CD2 . 16051 1 897 . 1 1 69 69 LEU CG C 13 27.9 0.2 . 1 . . . . 69 LEU CG . 16051 1 898 . 1 1 69 69 LEU N N 15 128.5 0.2 . 1 . . . . 69 LEU N . 16051 1 899 . 1 1 70 70 ARG H H 1 8.91 0.02 . 1 . . . . 70 ARG H . 16051 1 900 . 1 1 70 70 ARG HA H 1 4.85 0.02 . 1 . . . . 70 ARG HA . 16051 1 901 . 1 1 70 70 ARG HB2 H 1 1.8 0.02 . 2 . . . . 70 ARG HB2 . 16051 1 902 . 1 1 70 70 ARG HB3 H 1 1.8 0.02 . 2 . . . . 70 ARG HB3 . 16051 1 903 . 1 1 70 70 ARG HD2 H 1 3.00 0.02 . 2 . . . . 70 ARG HD2 . 16051 1 904 . 1 1 70 70 ARG HD3 H 1 3.1 0.02 . 2 . . . . 70 ARG HD3 . 16051 1 905 . 1 1 70 70 ARG HE H 1 7.32 0.02 . 1 . . . . 70 ARG HE . 16051 1 906 . 1 1 70 70 ARG HG2 H 1 1.23 0.02 . 2 . . . . 70 ARG HG2 . 16051 1 907 . 1 1 70 70 ARG HG3 H 1 1.54 0.02 . 2 . . . . 70 ARG HG3 . 16051 1 908 . 1 1 70 70 ARG C C 13 176.4 0.2 . 1 . . . . 70 ARG C . 16051 1 909 . 1 1 70 70 ARG CA C 13 54.9 0.2 . 1 . . . . 70 ARG CA . 16051 1 910 . 1 1 70 70 ARG CB C 13 32.3 0.2 . 1 . . . . 70 ARG CB . 16051 1 911 . 1 1 70 70 ARG CD C 13 43.4 0.2 . 1 . . . . 70 ARG CD . 16051 1 912 . 1 1 70 70 ARG CG C 13 29 0.2 . 1 . . . . 70 ARG CG . 16051 1 913 . 1 1 70 70 ARG N N 15 121.5 0.2 . 1 . . . . 70 ARG N . 16051 1 914 . 1 1 70 70 ARG NE N 15 84.7 0.2 . 1 . . . . 70 ARG NE . 16051 1 915 . 1 1 71 71 SER H H 1 8.8 0.02 . 1 . . . . 71 SER H . 16051 1 916 . 1 1 71 71 SER HA H 1 3.87 0.02 . 1 . . . . 71 SER HA . 16051 1 917 . 1 1 71 71 SER HB2 H 1 4.06 0.02 . 2 . . . . 71 SER HB2 . 16051 1 918 . 1 1 71 71 SER HB3 H 1 4.1 0.02 . 2 . . . . 71 SER HB3 . 16051 1 919 . 1 1 71 71 SER C C 13 175.8 0.2 . 1 . . . . 71 SER C . 16051 1 920 . 1 1 71 71 SER CA C 13 58.6 0.2 . 1 . . . . 71 SER CA . 16051 1 921 . 1 1 71 71 SER CB C 13 62 0.2 . 1 . . . . 71 SER CB . 16051 1 922 . 1 1 71 71 SER N N 15 114.4 0.2 . 1 . . . . 71 SER N . 16051 1 923 . 1 1 72 72 VAL H H 1 8.75 0.02 . 1 . . . . 72 VAL H . 16051 1 924 . 1 1 72 72 VAL HA H 1 4.61 0.02 . 1 . . . . 72 VAL HA . 16051 1 925 . 1 1 72 72 VAL HB H 1 2 0.02 . 1 . . . . 72 VAL HB . 16051 1 926 . 1 1 72 72 VAL HG11 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1 927 . 1 1 72 72 VAL HG12 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1 928 . 1 1 72 72 VAL HG13 H 1 0.72 0.02 . 2 . . . . 72 VAL HG1 . 16051 1 929 . 1 1 72 72 VAL HG21 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1 930 . 1 1 72 72 VAL HG22 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1 931 . 1 1 72 72 VAL HG23 H 1 0.55 0.02 . 2 . . . . 72 VAL HG2 . 16051 1 932 . 1 1 72 72 VAL C C 13 173.3 0.2 . 1 . . . . 72 VAL C . 16051 1 933 . 1 1 72 72 VAL CA C 13 59.3 0.2 . 1 . . . . 72 VAL CA . 16051 1 934 . 1 1 72 72 VAL CB C 13 31.9 0.2 . 1 . . . . 72 VAL CB . 16051 1 935 . 1 1 72 72 VAL CG1 C 13 23.8 0.02 . 2 . . . . 72 VAL CG1 . 16051 1 936 . 1 1 72 72 VAL CG2 C 13 18.2 0.02 . 2 . . . . 72 VAL CG2 . 16051 1 937 . 1 1 72 72 VAL N N 15 115.5 0.2 . 1 . . . . 72 VAL N . 16051 1 938 . 1 1 73 73 VAL H H 1 7.94 0.02 . 1 . . . . 73 VAL H . 16051 1 939 . 1 1 73 73 VAL HA H 1 4.76 0.02 . 1 . . . . 73 VAL HA . 16051 1 940 . 1 1 73 73 VAL HB H 1 0.42 0.02 . 1 . . . . 73 VAL HB . 16051 1 941 . 1 1 73 73 VAL HG11 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1 942 . 1 1 73 73 VAL HG12 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1 943 . 1 1 73 73 VAL HG13 H 1 0.52 0.02 . 2 . . . . 73 VAL HG1 . 16051 1 944 . 1 1 73 73 VAL HG21 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1 945 . 1 1 73 73 VAL HG22 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1 946 . 1 1 73 73 VAL HG23 H 1 0.09 0.02 . 2 . . . . 73 VAL HG2 . 16051 1 947 . 1 1 73 73 VAL C C 13 174.3 0.2 . 1 . . . . 73 VAL C . 16051 1 948 . 1 1 73 73 VAL CA C 13 58.8 0.2 . 1 . . . . 73 VAL CA . 16051 1 949 . 1 1 73 73 VAL CB C 13 34.5 0.2 . 1 . . . . 73 VAL CB . 16051 1 950 . 1 1 73 73 VAL CG1 C 13 20.1 0.02 . 2 . . . . 73 VAL CG1 . 16051 1 951 . 1 1 73 73 VAL CG2 C 13 20.9 0.02 . 2 . . . . 73 VAL CG2 . 16051 1 952 . 1 1 73 73 VAL N N 15 118.2 0.2 . 1 . . . . 73 VAL N . 16051 1 953 . 1 1 74 74 VAL H H 1 8.43 0.02 . 1 . . . . 74 VAL H . 16051 1 954 . 1 1 74 74 VAL HA H 1 4.56 0.02 . 1 . . . . 74 VAL HA . 16051 1 955 . 1 1 74 74 VAL HB H 1 2.11 0.02 . 1 . . . . 74 VAL HB . 16051 1 956 . 1 1 74 74 VAL HG11 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1 957 . 1 1 74 74 VAL HG12 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1 958 . 1 1 74 74 VAL HG13 H 1 0.68 0.02 . 2 . . . . 74 VAL HG1 . 16051 1 959 . 1 1 74 74 VAL HG21 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1 960 . 1 1 74 74 VAL HG22 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1 961 . 1 1 74 74 VAL HG23 H 1 0.77 0.02 . 2 . . . . 74 VAL HG2 . 16051 1 962 . 1 1 74 74 VAL C C 13 177.3 0.2 . 1 . . . . 74 VAL C . 16051 1 963 . 1 1 74 74 VAL CA C 13 62.1 0.2 . 1 . . . . 74 VAL CA . 16051 1 964 . 1 1 74 74 VAL CB C 13 32.7 0.2 . 1 . . . . 74 VAL CB . 16051 1 965 . 1 1 74 74 VAL CG1 C 13 22.8 0.02 . 2 . . . . 74 VAL CG1 . 16051 1 966 . 1 1 74 74 VAL CG2 C 13 21.5 0.02 . 2 . . . . 74 VAL CG2 . 16051 1 967 . 1 1 74 74 VAL N N 15 127.8 0.2 . 1 . . . . 74 VAL N . 16051 1 968 . 1 1 75 75 GLY H H 1 9.04 0.02 . 1 . . . . 75 GLY H . 16051 1 969 . 1 1 75 75 GLY HA2 H 1 3.75 0.02 . 2 . . . . 75 GLY HA2 . 16051 1 970 . 1 1 75 75 GLY HA3 H 1 5.12 0.02 . 2 . . . . 75 GLY HA3 . 16051 1 971 . 1 1 75 75 GLY C C 13 172.5 0.2 . 1 . . . . 75 GLY C . 16051 1 972 . 1 1 75 75 GLY CA C 13 43.7 0.2 . 1 . . . . 75 GLY CA . 16051 1 973 . 1 1 75 75 GLY N N 15 116 0.2 . 1 . . . . 75 GLY N . 16051 1 974 . 1 1 76 76 GLU H H 1 8.38 0.02 . 1 . . . . 76 GLU H . 16051 1 975 . 1 1 76 76 GLU HA H 1 4.69 0.02 . 1 . . . . 76 GLU HA . 16051 1 976 . 1 1 76 76 GLU HB2 H 1 1.83 0.02 . 2 . . . . 76 GLU HB2 . 16051 1 977 . 1 1 76 76 GLU HB3 H 1 1.93 0.02 . 2 . . . . 76 GLU HB3 . 16051 1 978 . 1 1 76 76 GLU HG2 H 1 2.05 0.02 . 2 . . . . 76 GLU HG2 . 16051 1 979 . 1 1 76 76 GLU HG3 H 1 2.05 0.02 . 2 . . . . 76 GLU HG3 . 16051 1 980 . 1 1 76 76 GLU C C 13 176.0 0.2 . 1 . . . . 76 GLU C . 16051 1 981 . 1 1 76 76 GLU CA C 13 56.1 0.2 . 1 . . . . 76 GLU CA . 16051 1 982 . 1 1 76 76 GLU CB C 13 32 0.2 . 1 . . . . 76 GLU CB . 16051 1 983 . 1 1 76 76 GLU CG C 13 36 0.2 . 1 . . . . 76 GLU CG . 16051 1 984 . 1 1 76 76 GLU N N 15 120.2 0.2 . 1 . . . . 76 GLU N . 16051 1 985 . 1 1 77 77 TYR H H 1 8.43 0.02 . 1 . . . . 77 TYR H . 16051 1 986 . 1 1 77 77 TYR HA H 1 4.57 0.02 . 1 . . . . 77 TYR HA . 16051 1 987 . 1 1 77 77 TYR HB2 H 1 2.59 0.02 . 2 . . . . 77 TYR HB2 . 16051 1 988 . 1 1 77 77 TYR HB3 H 1 2.7 0.02 . 2 . . . . 77 TYR HB3 . 16051 1 989 . 1 1 77 77 TYR HD1 H 1 7 0.02 . 3 . . . . 77 TYR HD1 . 16051 1 990 . 1 1 77 77 TYR HD2 H 1 7 0.02 . 3 . . . . 77 TYR HD2 . 16051 1 991 . 1 1 77 77 TYR HE1 H 1 6.8 0.02 . 3 . . . . 77 TYR HE1 . 16051 1 992 . 1 1 77 77 TYR HE2 H 1 6.8 0.02 . 3 . . . . 77 TYR HE2 . 16051 1 993 . 1 1 77 77 TYR C C 13 174.2 0.2 . 1 . . . . 77 TYR C . 16051 1 994 . 1 1 77 77 TYR CA C 13 56.5 0.2 . 1 . . . . 77 TYR CA . 16051 1 995 . 1 1 77 77 TYR CB C 13 39.8 0.2 . 1 . . . . 77 TYR CB . 16051 1 996 . 1 1 77 77 TYR CD1 C 13 132.9 0.02 . 3 . . . . 77 TYR CD1 . 16051 1 997 . 1 1 77 77 TYR CD2 C 13 132.9 0.02 . 3 . . . . 77 TYR CD2 . 16051 1 998 . 1 1 77 77 TYR CE1 C 13 118.3 0.02 . 3 . . . . 77 TYR CE1 . 16051 1 999 . 1 1 77 77 TYR CE2 C 13 118.3 0.02 . 3 . . . . 77 TYR CE2 . 16051 1 1000 . 1 1 77 77 TYR N N 15 124.4 0.2 . 1 . . . . 77 TYR N . 16051 1 1001 . 1 1 78 78 ASN H H 1 9.1 0.02 . 1 . . . . 78 ASN H . 16051 1 1002 . 1 1 78 78 ASN HA H 1 4 0.02 . 1 . . . . 78 ASN HA . 16051 1 1003 . 1 1 78 78 ASN HB2 H 1 2.39 0.02 . 2 . . . . 78 ASN HB2 . 16051 1 1004 . 1 1 78 78 ASN HB3 H 1 2.75 0.02 . 2 . . . . 78 ASN HB3 . 16051 1 1005 . 1 1 78 78 ASN HD21 H 1 7.1 0.02 . 2 . . . . 78 ASN HD21 . 16051 1 1006 . 1 1 78 78 ASN HD22 H 1 6.67 0.02 . 2 . . . . 78 ASN HD22 . 16051 1 1007 . 1 1 78 78 ASN C C 13 177.3 0.2 . 1 . . . . 78 ASN C . 16051 1 1008 . 1 1 78 78 ASN CA C 13 54.7 0.2 . 1 . . . . 78 ASN CA . 16051 1 1009 . 1 1 78 78 ASN CB C 13 36.6 0.2 . 1 . . . . 78 ASN CB . 16051 1 1010 . 1 1 78 78 ASN N N 15 125.8 0.2 . 1 . . . . 78 ASN N . 16051 1 1011 . 1 1 78 78 ASN ND2 N 15 112 0.2 . 1 . . . . 78 ASN ND2 . 16051 1 1012 . 1 1 79 79 ASP H H 1 8.64 0.02 . 1 . . . . 79 ASP H . 16051 1 1013 . 1 1 79 79 ASP HA H 1 4.24 0.02 . 1 . . . . 79 ASP HA . 16051 1 1014 . 1 1 79 79 ASP HB2 H 1 2.69 0.02 . 2 . . . . 79 ASP HB2 . 16051 1 1015 . 1 1 79 79 ASP HB3 H 1 2.79 0.02 . 2 . . . . 79 ASP HB3 . 16051 1 1016 . 1 1 79 79 ASP C C 13 174.6 0.2 . 1 . . . . 79 ASP C . 16051 1 1017 . 1 1 79 79 ASP CA C 13 54.9 0.2 . 1 . . . . 79 ASP CA . 16051 1 1018 . 1 1 79 79 ASP CB C 13 39.7 0.2 . 1 . . . . 79 ASP CB . 16051 1 1019 . 1 1 79 79 ASP N N 15 115.7 0.2 . 1 . . . . 79 ASP N . 16051 1 1020 . 1 1 80 80 ARG H H 1 7.88 0.02 . 1 . . . . 80 ARG H . 16051 1 1021 . 1 1 80 80 ARG HA H 1 4.37 0.02 . 1 . . . . 80 ARG HA . 16051 1 1022 . 1 1 80 80 ARG HB2 H 1 1.81 0.02 . 2 . . . . 80 ARG HB2 . 16051 1 1023 . 1 1 80 80 ARG HB3 H 1 1.93 0.02 . 2 . . . . 80 ARG HB3 . 16051 1 1024 . 1 1 80 80 ARG HD2 H 1 3.2 0.02 . 2 . . . . 80 ARG HD2 . 16051 1 1025 . 1 1 80 80 ARG HD3 H 1 3.2 0.02 . 2 . . . . 80 ARG HD3 . 16051 1 1026 . 1 1 80 80 ARG HE H 1 7.28 0.02 . 1 . . . . 80 ARG HE . 16051 1 1027 . 1 1 80 80 ARG HG2 H 1 1.66 0.02 . 2 . . . . 80 ARG HG2 . 16051 1 1028 . 1 1 80 80 ARG HG3 H 1 1.66 0.02 . 2 . . . . 80 ARG HG3 . 16051 1 1029 . 1 1 80 80 ARG C C 13 175.0 0.2 . 1 . . . . 80 ARG C . 16051 1 1030 . 1 1 80 80 ARG CA C 13 54.2 0.2 . 1 . . . . 80 ARG CA . 16051 1 1031 . 1 1 80 80 ARG CB C 13 31.8 0.2 . 1 . . . . 80 ARG CB . 16051 1 1032 . 1 1 80 80 ARG CD C 13 43.4 0.2 . 1 . . . . 80 ARG CD . 16051 1 1033 . 1 1 80 80 ARG CG C 13 26.3 0.2 . 1 . . . . 80 ARG CG . 16051 1 1034 . 1 1 80 80 ARG N N 15 119.7 0.2 . 1 . . . . 80 ARG N . 16051 1 1035 . 1 1 80 80 ARG NE N 15 85.4 0.2 . 1 . . . . 80 ARG NE . 16051 1 1036 . 1 1 81 81 PHE H H 1 8.41 0.02 . 1 . . . . 81 PHE H . 16051 1 1037 . 1 1 81 81 PHE HA H 1 5.42 0.02 . 1 . . . . 81 PHE HA . 16051 1 1038 . 1 1 81 81 PHE HB2 H 1 2.77 0.02 . 2 . . . . 81 PHE HB2 . 16051 1 1039 . 1 1 81 81 PHE HB3 H 1 3.06 0.02 . 2 . . . . 81 PHE HB3 . 16051 1 1040 . 1 1 81 81 PHE HD1 H 1 7.06 0.02 . 3 . . . . 81 PHE HD1 . 16051 1 1041 . 1 1 81 81 PHE HD2 H 1 7.06 0.02 . 3 . . . . 81 PHE HD2 . 16051 1 1042 . 1 1 81 81 PHE HE1 H 1 7.09 0.02 . 3 . . . . 81 PHE HE1 . 16051 1 1043 . 1 1 81 81 PHE HE2 H 1 7.09 0.02 . 3 . . . . 81 PHE HE2 . 16051 1 1044 . 1 1 81 81 PHE HZ H 1 7.05 0.02 . 1 . . . . 81 PHE HZ . 16051 1 1045 . 1 1 81 81 PHE C C 13 174.4 0.2 . 1 . . . . 81 PHE C . 16051 1 1046 . 1 1 81 81 PHE CA C 13 57.2 0.2 . 1 . . . . 81 PHE CA . 16051 1 1047 . 1 1 81 81 PHE CB C 13 42 0.2 . 1 . . . . 81 PHE CB . 16051 1 1048 . 1 1 81 81 PHE CD1 C 13 131.1 0.02 . 3 . . . . 81 PHE CD1 . 16051 1 1049 . 1 1 81 81 PHE CD2 C 13 131.1 0.02 . 3 . . . . 81 PHE CD2 . 16051 1 1050 . 1 1 81 81 PHE CE1 C 13 130.8 0.02 . 3 . . . . 81 PHE CE1 . 16051 1 1051 . 1 1 81 81 PHE CE2 C 13 130.8 0.02 . 3 . . . . 81 PHE CE2 . 16051 1 1052 . 1 1 81 81 PHE CZ C 13 129.8 0.2 . 1 . . . . 81 PHE CZ . 16051 1 1053 . 1 1 81 81 PHE N N 15 120.7 0.2 . 1 . . . . 81 PHE N . 16051 1 1054 . 1 1 82 82 GLN H H 1 8.95 0.02 . 1 . . . . 82 GLN H . 16051 1 1055 . 1 1 82 82 GLN HA H 1 5.11 0.02 . 1 . . . . 82 GLN HA . 16051 1 1056 . 1 1 82 82 GLN HB2 H 1 1.76 0.02 . 2 . . . . 82 GLN HB2 . 16051 1 1057 . 1 1 82 82 GLN HB3 H 1 1.76 0.02 . 2 . . . . 82 GLN HB3 . 16051 1 1058 . 1 1 82 82 GLN HE21 H 1 7.55 0.02 . 2 . . . . 82 GLN HE21 . 16051 1 1059 . 1 1 82 82 GLN HE22 H 1 6.82 0.02 . 2 . . . . 82 GLN HE22 . 16051 1 1060 . 1 1 82 82 GLN HG2 H 1 2.08 0.02 . 2 . . . . 82 GLN HG2 . 16051 1 1061 . 1 1 82 82 GLN HG3 H 1 2.08 0.02 . 2 . . . . 82 GLN HG3 . 16051 1 1062 . 1 1 82 82 GLN C C 13 172.4 0.2 . 1 . . . . 82 GLN C . 16051 1 1063 . 1 1 82 82 GLN CA C 13 53.5 0.2 . 1 . . . . 82 GLN CA . 16051 1 1064 . 1 1 82 82 GLN CB C 13 31.9 0.2 . 1 . . . . 82 GLN CB . 16051 1 1065 . 1 1 82 82 GLN CG C 13 31.1 0.2 . 1 . . . . 82 GLN CG . 16051 1 1066 . 1 1 82 82 GLN N N 15 115 0.2 . 1 . . . . 82 GLN N . 16051 1 1067 . 1 1 82 82 GLN NE2 N 15 111.5 0.2 . 1 . . . . 82 GLN NE2 . 16051 1 1068 . 1 1 83 83 VAL H H 1 9.09 0.02 . 1 . . . . 83 VAL H . 16051 1 1069 . 1 1 83 83 VAL HA H 1 4.38 0.02 . 1 . . . . 83 VAL HA . 16051 1 1070 . 1 1 83 83 VAL HB H 1 1.83 0.02 . 1 . . . . 83 VAL HB . 16051 1 1071 . 1 1 83 83 VAL HG11 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1 1072 . 1 1 83 83 VAL HG12 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1 1073 . 1 1 83 83 VAL HG13 H 1 0.66 0.02 . 2 . . . . 83 VAL HG1 . 16051 1 1074 . 1 1 83 83 VAL HG21 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1 1075 . 1 1 83 83 VAL HG22 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1 1076 . 1 1 83 83 VAL HG23 H 1 0.72 0.02 . 2 . . . . 83 VAL HG2 . 16051 1 1077 . 1 1 83 83 VAL C C 13 174.6 0.2 . 1 . . . . 83 VAL C . 16051 1 1078 . 1 1 83 83 VAL CA C 13 61.6 0.2 . 1 . . . . 83 VAL CA . 16051 1 1079 . 1 1 83 83 VAL CB C 13 33.5 0.2 . 1 . . . . 83 VAL CB . 16051 1 1080 . 1 1 83 83 VAL CG1 C 13 21.6 0.02 . 2 . . . . 83 VAL CG1 . 16051 1 1081 . 1 1 83 83 VAL CG2 C 13 21.6 0.02 . 2 . . . . 83 VAL CG2 . 16051 1 1082 . 1 1 83 83 VAL N N 15 118.9 0.2 . 1 . . . . 83 VAL N . 16051 1 1083 . 1 1 84 84 GLN H H 1 9.28 0.02 . 1 . . . . 84 GLN H . 16051 1 1084 . 1 1 84 84 GLN HA H 1 5.02 0.02 . 1 . . . . 84 GLN HA . 16051 1 1085 . 1 1 84 84 GLN HB2 H 1 1.84 0.02 . 2 . . . . 84 GLN HB2 . 16051 1 1086 . 1 1 84 84 GLN HB3 H 1 2.2 0.02 . 2 . . . . 84 GLN HB3 . 16051 1 1087 . 1 1 84 84 GLN HE21 H 1 7.06 0.02 . 2 . . . . 84 GLN HE21 . 16051 1 1088 . 1 1 84 84 GLN HE22 H 1 6.86 0.02 . 2 . . . . 84 GLN HE22 . 16051 1 1089 . 1 1 84 84 GLN HG2 H 1 2 0.02 . 2 . . . . 84 GLN HG2 . 16051 1 1090 . 1 1 84 84 GLN HG3 H 1 2.29 0.02 . 2 . . . . 84 GLN HG3 . 16051 1 1091 . 1 1 84 84 GLN C C 13 174.5 0.2 . 1 . . . . 84 GLN C . 16051 1 1092 . 1 1 84 84 GLN CA C 13 54.4 0.2 . 1 . . . . 84 GLN CA . 16051 1 1093 . 1 1 84 84 GLN CB C 13 29.9 0.2 . 1 . . . . 84 GLN CB . 16051 1 1094 . 1 1 84 84 GLN CG C 13 33.7 0.2 . 1 . . . . 84 GLN CG . 16051 1 1095 . 1 1 84 84 GLN N N 15 124.8 0.2 . 1 . . . . 84 GLN N . 16051 1 1096 . 1 1 84 84 GLN NE2 N 15 109.6 0.2 . 1 . . . . 84 GLN NE2 . 16051 1 1097 . 1 1 85 85 VAL H H 1 8.68 0.02 . 1 . . . . 85 VAL H . 16051 1 1098 . 1 1 85 85 VAL HA H 1 4.3 0.02 . 1 . . . . 85 VAL HA . 16051 1 1099 . 1 1 85 85 VAL HB H 1 2.26 0.02 . 1 . . . . 85 VAL HB . 16051 1 1100 . 1 1 85 85 VAL HG11 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1 1101 . 1 1 85 85 VAL HG12 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1 1102 . 1 1 85 85 VAL HG13 H 1 0.83 0.02 . 2 . . . . 85 VAL HG1 . 16051 1 1103 . 1 1 85 85 VAL HG21 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1 1104 . 1 1 85 85 VAL HG22 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1 1105 . 1 1 85 85 VAL HG23 H 1 0.65 0.02 . 2 . . . . 85 VAL HG2 . 16051 1 1106 . 1 1 85 85 VAL C C 13 174.5 0.2 . 1 . . . . 85 VAL C . 16051 1 1107 . 1 1 85 85 VAL CA C 13 61.7 0.2 . 1 . . . . 85 VAL CA . 16051 1 1108 . 1 1 85 85 VAL CB C 13 31.7 0.2 . 1 . . . . 85 VAL CB . 16051 1 1109 . 1 1 85 85 VAL CG1 C 13 22.6 0.02 . 2 . . . . 85 VAL CG1 . 16051 1 1110 . 1 1 85 85 VAL CG2 C 13 19.8 0.02 . 2 . . . . 85 VAL CG2 . 16051 1 1111 . 1 1 85 85 VAL N N 15 125.5 0.2 . 1 . . . . 85 VAL N . 16051 1 1112 . 1 1 86 86 ASN H H 1 8.74 0.02 . 1 . . . . 86 ASN H . 16051 1 1113 . 1 1 86 86 ASN HA H 1 5.24 0.02 . 1 . . . . 86 ASN HA . 16051 1 1114 . 1 1 86 86 ASN HB2 H 1 2.64 0.02 . 2 . . . . 86 ASN HB2 . 16051 1 1115 . 1 1 86 86 ASN HB3 H 1 3.33 0.02 . 2 . . . . 86 ASN HB3 . 16051 1 1116 . 1 1 86 86 ASN HD21 H 1 7.38 0.02 . 2 . . . . 86 ASN HD21 . 16051 1 1117 . 1 1 86 86 ASN HD22 H 1 6.36 0.02 . 2 . . . . 86 ASN HD22 . 16051 1 1118 . 1 1 86 86 ASN C C 13 175.3 0.2 . 1 . . . . 86 ASN C . 16051 1 1119 . 1 1 86 86 ASN CA C 13 51.8 0.2 . 1 . . . . 86 ASN CA . 16051 1 1120 . 1 1 86 86 ASN CB C 13 42.4 0.2 . 1 . . . . 86 ASN CB . 16051 1 1121 . 1 1 86 86 ASN N N 15 124 0.2 . 1 . . . . 86 ASN N . 16051 1 1122 . 1 1 86 86 ASN ND2 N 15 112.9 0.2 . 1 . . . . 86 ASN ND2 . 16051 1 1123 . 1 1 87 87 LYS H H 1 8.53 0.02 . 1 . . . . 87 LYS H . 16051 1 1124 . 1 1 87 87 LYS HA H 1 4.21 0.02 . 1 . . . . 87 LYS HA . 16051 1 1125 . 1 1 87 87 LYS HB2 H 1 1.84 0.02 . 2 . . . . 87 LYS HB2 . 16051 1 1126 . 1 1 87 87 LYS HB3 H 1 1.84 0.02 . 2 . . . . 87 LYS HB3 . 16051 1 1127 . 1 1 87 87 LYS HD2 H 1 1.65 0.02 . 2 . . . . 87 LYS HD2 . 16051 1 1128 . 1 1 87 87 LYS HD3 H 1 1.65 0.02 . 2 . . . . 87 LYS HD3 . 16051 1 1129 . 1 1 87 87 LYS HE2 H 1 2.93 0.02 . 2 . . . . 87 LYS HE2 . 16051 1 1130 . 1 1 87 87 LYS HE3 H 1 2.93 0.02 . 2 . . . . 87 LYS HE3 . 16051 1 1131 . 1 1 87 87 LYS HG2 H 1 1.45 0.02 . 2 . . . . 87 LYS HG2 . 16051 1 1132 . 1 1 87 87 LYS HG3 H 1 1.45 0.02 . 2 . . . . 87 LYS HG3 . 16051 1 1133 . 1 1 87 87 LYS C C 13 176.7 0.2 . 1 . . . . 87 LYS C . 16051 1 1134 . 1 1 87 87 LYS CA C 13 59.0 0.2 . 1 . . . . 87 LYS CA . 16051 1 1135 . 1 1 87 87 LYS CB C 13 32.4 0.2 . 1 . . . . 87 LYS CB . 16051 1 1136 . 1 1 87 87 LYS CD C 13 29.1 0.2 . 1 . . . . 87 LYS CD . 16051 1 1137 . 1 1 87 87 LYS CE C 13 42.1 0.2 . 1 . . . . 87 LYS CE . 16051 1 1138 . 1 1 87 87 LYS CG C 13 24.7 0.2 . 1 . . . . 87 LYS CG . 16051 1 1139 . 1 1 87 87 LYS N N 15 117.6 0.2 . 1 . . . . 87 LYS N . 16051 1 1140 . 1 1 88 88 ASN H H 1 8.60 0.02 . 1 . . . . 88 ASN H . 16051 1 1141 . 1 1 88 88 ASN HA H 1 4.81 0.02 . 1 . . . . 88 ASN HA . 16051 1 1142 . 1 1 88 88 ASN HB2 H 1 2.94 0.02 . 2 . . . . 88 ASN HB2 . 16051 1 1143 . 1 1 88 88 ASN HB3 H 1 3.01 0.02 . 2 . . . . 88 ASN HB3 . 16051 1 1144 . 1 1 88 88 ASN HD21 H 1 7.35 0.02 . 2 . . . . 88 ASN HD21 . 16051 1 1145 . 1 1 88 88 ASN HD22 H 1 6.97 0.02 . 2 . . . . 88 ASN HD22 . 16051 1 1146 . 1 1 88 88 ASN C C 13 175.6 0.2 . 1 . . . . 88 ASN C . 16051 1 1147 . 1 1 88 88 ASN CA C 13 54.1 0.2 . 1 . . . . 88 ASN CA . 16051 1 1148 . 1 1 88 88 ASN CB C 13 39.1 0.2 . 1 . . . . 88 ASN CB . 16051 1 1149 . 1 1 88 88 ASN N N 15 115.5 0.2 . 1 . . . . 88 ASN N . 16051 1 1150 . 1 1 88 88 ASN ND2 N 15 113.1 0.2 . 1 . . . . 88 ASN ND2 . 16051 1 1151 . 1 1 89 89 SER H H 1 8.15 0.02 . 1 . . . . 89 SER H . 16051 1 1152 . 1 1 89 89 SER HA H 1 5.12 0.02 . 1 . . . . 89 SER HA . 16051 1 1153 . 1 1 89 89 SER HB2 H 1 3.91 0.02 . 2 . . . . 89 SER HB2 . 16051 1 1154 . 1 1 89 89 SER HB3 H 1 3.97 0.02 . 2 . . . . 89 SER HB3 . 16051 1 1155 . 1 1 89 89 SER C C 13 172.4 0.2 . 1 . . . . 89 SER C . 16051 1 1156 . 1 1 89 89 SER CA C 13 58.1 0.2 . 1 . . . . 89 SER CA . 16051 1 1157 . 1 1 89 89 SER CB C 13 64 0.2 . 1 . . . . 89 SER CB . 16051 1 1158 . 1 1 89 89 SER N N 15 117.5 0.2 . 1 . . . . 89 SER N . 16051 1 1159 . 1 1 90 90 SER H H 1 8.2 0.02 . 1 . . . . 90 SER H . 16051 1 1160 . 1 1 90 90 SER HA H 1 4.68 0.02 . 1 . . . . 90 SER HA . 16051 1 1161 . 1 1 90 90 SER HB2 H 1 3.82 0.02 . 2 . . . . 90 SER HB2 . 16051 1 1162 . 1 1 90 90 SER HB3 H 1 3.82 0.02 . 2 . . . . 90 SER HB3 . 16051 1 1163 . 1 1 90 90 SER C C 13 172.4 0.2 . 1 . . . . 90 SER C . 16051 1 1164 . 1 1 90 90 SER CA C 13 57.7 0.2 . 1 . . . . 90 SER CA . 16051 1 1165 . 1 1 90 90 SER CB C 13 65.7 0.2 . 1 . . . . 90 SER CB . 16051 1 1166 . 1 1 90 90 SER N N 15 113.2 0.2 . 1 . . . . 90 SER N . 16051 1 1167 . 1 1 91 91 ILE H H 1 8.64 0.02 . 1 . . . . 91 ILE H . 16051 1 1168 . 1 1 91 91 ILE HA H 1 5.03 0.02 . 1 . . . . 91 ILE HA . 16051 1 1169 . 1 1 91 91 ILE HB H 1 1.54 0.02 . 1 . . . . 91 ILE HB . 16051 1 1170 . 1 1 91 91 ILE HD11 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1 1171 . 1 1 91 91 ILE HD12 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1 1172 . 1 1 91 91 ILE HD13 H 1 0.63 0.02 . 1 . . . . 91 ILE HD1 . 16051 1 1173 . 1 1 91 91 ILE HG12 H 1 0.85 0.02 . 2 . . . . 91 ILE HG12 . 16051 1 1174 . 1 1 91 91 ILE HG13 H 1 1.36 0.02 . 2 . . . . 91 ILE HG13 . 16051 1 1175 . 1 1 91 91 ILE HG21 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1 1176 . 1 1 91 91 ILE HG22 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1 1177 . 1 1 91 91 ILE HG23 H 1 0.6 0.02 . 1 . . . . 91 ILE HG2 . 16051 1 1178 . 1 1 91 91 ILE C C 13 175.3 0.2 . 1 . . . . 91 ILE C . 16051 1 1179 . 1 1 91 91 ILE CA C 13 60.2 0.2 . 1 . . . . 91 ILE CA . 16051 1 1180 . 1 1 91 91 ILE CB C 13 42.2 0.2 . 1 . . . . 91 ILE CB . 16051 1 1181 . 1 1 91 91 ILE CD1 C 13 14.4 0.2 . 1 . . . . 91 ILE CD1 . 16051 1 1182 . 1 1 91 91 ILE CG1 C 13 26.8 0.2 . 1 . . . . 91 ILE CG1 . 16051 1 1183 . 1 1 91 91 ILE CG2 C 13 18.7 0.2 . 1 . . . . 91 ILE CG2 . 16051 1 1184 . 1 1 91 91 ILE N N 15 119.7 0.2 . 1 . . . . 91 ILE N . 16051 1 1185 . 1 1 92 92 GLU H H 1 8.81 0.02 . 1 . . . . 92 GLU H . 16051 1 1186 . 1 1 92 92 GLU HA H 1 4.71 0.02 . 1 . . . . 92 GLU HA . 16051 1 1187 . 1 1 92 92 GLU HB2 H 1 1.97 0.02 . 2 . . . . 92 GLU HB2 . 16051 1 1188 . 1 1 92 92 GLU HB3 H 1 2.02 0.02 . 2 . . . . 92 GLU HB3 . 16051 1 1189 . 1 1 92 92 GLU HG2 H 1 2.18 0.02 . 2 . . . . 92 GLU HG2 . 16051 1 1190 . 1 1 92 92 GLU HG3 H 1 2.18 0.02 . 2 . . . . 92 GLU HG3 . 16051 1 1191 . 1 1 92 92 GLU C C 13 174.7 0.2 . 1 . . . . 92 GLU C . 16051 1 1192 . 1 1 92 92 GLU CA C 13 54.6 0.2 . 1 . . . . 92 GLU CA . 16051 1 1193 . 1 1 92 92 GLU CB C 13 33.3 0.2 . 1 . . . . 92 GLU CB . 16051 1 1194 . 1 1 92 92 GLU CG C 13 35.7 0.2 . 1 . . . . 92 GLU CG . 16051 1 1195 . 1 1 92 92 GLU N N 15 125.9 0.2 . 1 . . . . 92 GLU N . 16051 1 1196 . 1 1 93 93 LYS H H 1 9.08 0.02 . 1 . . . . 93 LYS H . 16051 1 1197 . 1 1 93 93 LYS HA H 1 4.1 0.02 . 1 . . . . 93 LYS HA . 16051 1 1198 . 1 1 93 93 LYS HB2 H 1 1.69 0.02 . 2 . . . . 93 LYS HB2 . 16051 1 1199 . 1 1 93 93 LYS HB3 H 1 1.69 0.02 . 2 . . . . 93 LYS HB3 . 16051 1 1200 . 1 1 93 93 LYS HD2 H 1 1.61 0.02 . 2 . . . . 93 LYS HD2 . 16051 1 1201 . 1 1 93 93 LYS HD3 H 1 1.61 0.02 . 2 . . . . 93 LYS HD3 . 16051 1 1202 . 1 1 93 93 LYS HE2 H 1 2.89 0.02 . 2 . . . . 93 LYS HE2 . 16051 1 1203 . 1 1 93 93 LYS HE3 H 1 2.89 0.02 . 2 . . . . 93 LYS HE3 . 16051 1 1204 . 1 1 93 93 LYS HG2 H 1 1.07 0.02 . 2 . . . . 93 LYS HG2 . 16051 1 1205 . 1 1 93 93 LYS HG3 H 1 1.32 0.02 . 2 . . . . 93 LYS HG3 . 16051 1 1206 . 1 1 93 93 LYS C C 13 176.4 0.2 . 1 . . . . 93 LYS C . 16051 1 1207 . 1 1 93 93 LYS CA C 13 57.5 0.2 . 1 . . . . 93 LYS CA . 16051 1 1208 . 1 1 93 93 LYS CB C 13 32.9 0.2 . 1 . . . . 93 LYS CB . 16051 1 1209 . 1 1 93 93 LYS CD C 13 29.2 0.2 . 1 . . . . 93 LYS CD . 16051 1 1210 . 1 1 93 93 LYS CE C 13 41.9 0.2 . 1 . . . . 93 LYS CE . 16051 1 1211 . 1 1 93 93 LYS CG C 13 25.0 0.2 . 1 . . . . 93 LYS CG . 16051 1 1212 . 1 1 93 93 LYS N N 15 127.6 0.2 . 1 . . . . 93 LYS N . 16051 1 1213 . 1 1 94 94 LEU H H 1 8.41 0.02 . 1 . . . . 94 LEU H . 16051 1 1214 . 1 1 94 94 LEU HA H 1 4.48 0.02 . 1 . . . . 94 LEU HA . 16051 1 1215 . 1 1 94 94 LEU HB2 H 1 1.3 0.02 . 2 . . . . 94 LEU HB2 . 16051 1 1216 . 1 1 94 94 LEU HB3 H 1 1.49 0.02 . 2 . . . . 94 LEU HB3 . 16051 1 1217 . 1 1 94 94 LEU HD11 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1 1218 . 1 1 94 94 LEU HD12 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1 1219 . 1 1 94 94 LEU HD13 H 1 0.72 0.02 . 2 . . . . 94 LEU HD1 . 16051 1 1220 . 1 1 94 94 LEU HD21 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1 1221 . 1 1 94 94 LEU HD22 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1 1222 . 1 1 94 94 LEU HD23 H 1 0.81 0.02 . 2 . . . . 94 LEU HD2 . 16051 1 1223 . 1 1 94 94 LEU C C 13 177.3 0.2 . 1 . . . . 94 LEU C . 16051 1 1224 . 1 1 94 94 LEU CA C 13 53.9 0.2 . 1 . . . . 94 LEU CA . 16051 1 1225 . 1 1 94 94 LEU CB C 13 42.9 0.2 . 1 . . . . 94 LEU CB . 16051 1 1226 . 1 1 94 94 LEU CD1 C 13 22.4 0.02 . 2 . . . . 94 LEU CD1 . 16051 1 1227 . 1 1 94 94 LEU CD2 C 13 22.4 0.02 . 2 . . . . 94 LEU CD2 . 16051 1 1228 . 1 1 94 94 LEU CG C 13 26.3 0.2 . 1 . . . . 94 LEU CG . 16051 1 1229 . 1 1 94 94 LEU N N 15 127.3 0.2 . 1 . . . . 94 LEU N . 16051 1 1230 . 1 1 95 95 SER H H 1 8.63 0.02 . 1 . . . . 95 SER H . 16051 1 1231 . 1 1 95 95 SER HA H 1 4.35 0.02 . 1 . . . . 95 SER HA . 16051 1 1232 . 1 1 95 95 SER HB2 H 1 3.81 0.02 . 2 . . . . 95 SER HB2 . 16051 1 1233 . 1 1 95 95 SER HB3 H 1 3.88 0.02 . 2 . . . . 95 SER HB3 . 16051 1 1234 . 1 1 95 95 SER C C 13 173.8 0.2 . 1 . . . . 95 SER C . 16051 1 1235 . 1 1 95 95 SER CA C 13 58.9 0.2 . 1 . . . . 95 SER CA . 16051 1 1236 . 1 1 95 95 SER CB C 13 63.4 0.2 . 1 . . . . 95 SER CB . 16051 1 1237 . 1 1 95 95 SER N N 15 115.7 0.2 . 1 . . . . 95 SER N . 16051 1 1238 . 1 1 96 96 GLU H H 1 7.23 0.02 . 1 . . . . 96 GLU H . 16051 1 1239 . 1 1 96 96 GLU HA H 1 4.75 0.02 . 1 . . . . 96 GLU HA . 16051 1 1240 . 1 1 96 96 GLU HB2 H 1 1.81 0.02 . 2 . . . . 96 GLU HB2 . 16051 1 1241 . 1 1 96 96 GLU HB3 H 1 1.91 0.02 . 2 . . . . 96 GLU HB3 . 16051 1 1242 . 1 1 96 96 GLU HG2 H 1 2.13 0.02 . 2 . . . . 96 GLU HG2 . 16051 1 1243 . 1 1 96 96 GLU HG3 H 1 2.13 0.02 . 2 . . . . 96 GLU HG3 . 16051 1 1244 . 1 1 96 96 GLU CA C 13 53 0.2 . 1 . . . . 96 GLU CA . 16051 1 1245 . 1 1 96 96 GLU CB C 13 30.7 0.2 . 1 . . . . 96 GLU CB . 16051 1 1246 . 1 1 96 96 GLU CG C 13 35.8 0.2 . 1 . . . . 96 GLU CG . 16051 1 1247 . 1 1 96 96 GLU N N 15 121.6 0.2 . 1 . . . . 96 GLU N . 16051 1 1248 . 1 1 97 97 PRO HA H 1 4.25 0.02 . 1 . . . . 97 PRO HA . 16051 1 1249 . 1 1 97 97 PRO HB2 H 1 1.72 0.02 . 2 . . . . 97 PRO HB2 . 16051 1 1250 . 1 1 97 97 PRO HB3 H 1 2.18 0.02 . 2 . . . . 97 PRO HB3 . 16051 1 1251 . 1 1 97 97 PRO HD2 H 1 3.61 0.02 . 2 . . . . 97 PRO HD2 . 16051 1 1252 . 1 1 97 97 PRO HD3 H 1 3.76 0.02 . 2 . . . . 97 PRO HD3 . 16051 1 1253 . 1 1 97 97 PRO HG2 H 1 1.95 0.02 . 2 . . . . 97 PRO HG2 . 16051 1 1254 . 1 1 97 97 PRO HG3 H 1 1.95 0.02 . 2 . . . . 97 PRO HG3 . 16051 1 1255 . 1 1 97 97 PRO CA C 13 62.4 0.2 . 1 . . . . 97 PRO CA . 16051 1 1256 . 1 1 97 97 PRO CB C 13 32.6 0.2 . 1 . . . . 97 PRO CB . 16051 1 1257 . 1 1 97 97 PRO CD C 13 50.6 0.2 . 1 . . . . 97 PRO CD . 16051 1 1258 . 1 1 97 97 PRO CG C 13 27.1 0.2 . 1 . . . . 97 PRO CG . 16051 1 1259 . 1 1 98 98 ILE H H 1 7.92 0.02 . 1 . . . . 98 ILE H . 16051 1 1260 . 1 1 98 98 ILE HA H 1 4.07 0.02 . 1 . . . . 98 ILE HA . 16051 1 1261 . 1 1 98 98 ILE HB H 1 1.74 0.02 . 1 . . . . 98 ILE HB . 16051 1 1262 . 1 1 98 98 ILE HD11 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1 1263 . 1 1 98 98 ILE HD12 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1 1264 . 1 1 98 98 ILE HD13 H 1 0.73 0.02 . 1 . . . . 98 ILE HD1 . 16051 1 1265 . 1 1 98 98 ILE HG12 H 1 1.19 0.02 . 2 . . . . 98 ILE HG12 . 16051 1 1266 . 1 1 98 98 ILE HG13 H 1 1.23 0.02 . 2 . . . . 98 ILE HG13 . 16051 1 1267 . 1 1 98 98 ILE HG21 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1 1268 . 1 1 98 98 ILE HG22 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1 1269 . 1 1 98 98 ILE HG23 H 1 0.9 0.02 . 1 . . . . 98 ILE HG2 . 16051 1 1270 . 1 1 98 98 ILE C C 13 175.4 0.2 . 1 . . . . 98 ILE C . 16051 1 1271 . 1 1 98 98 ILE CA C 13 59.3 0.2 . 1 . . . . 98 ILE CA . 16051 1 1272 . 1 1 98 98 ILE CB C 13 38.3 0.2 . 1 . . . . 98 ILE CB . 16051 1 1273 . 1 1 98 98 ILE CD1 C 13 12 0.2 . 1 . . . . 98 ILE CD1 . 16051 1 1274 . 1 1 98 98 ILE CG1 C 13 27.2 0.2 . 1 . . . . 98 ILE CG1 . 16051 1 1275 . 1 1 98 98 ILE CG2 C 13 17 0.2 . 1 . . . . 98 ILE CG2 . 16051 1 1276 . 1 1 98 98 ILE N N 15 122.7 0.2 . 1 . . . . 98 ILE N . 16051 1 1277 . 1 1 99 99 GLU H H 1 8.55 0.02 . 1 . . . . 99 GLU H . 16051 1 1278 . 1 1 99 99 GLU HA H 1 4.26 0.02 . 1 . . . . 99 GLU HA . 16051 1 1279 . 1 1 99 99 GLU HB2 H 1 1.88 0.02 . 2 . . . . 99 GLU HB2 . 16051 1 1280 . 1 1 99 99 GLU HB3 H 1 1.88 0.02 . 2 . . . . 99 GLU HB3 . 16051 1 1281 . 1 1 99 99 GLU HG2 H 1 2.15 0.02 . 2 . . . . 99 GLU HG2 . 16051 1 1282 . 1 1 99 99 GLU HG3 H 1 2.15 0.02 . 2 . . . . 99 GLU HG3 . 16051 1 1283 . 1 1 99 99 GLU C C 13 175.1 0.2 . 1 . . . . 99 GLU C . 16051 1 1284 . 1 1 99 99 GLU CA C 13 55.5 0.2 . 1 . . . . 99 GLU CA . 16051 1 1285 . 1 1 99 99 GLU CB C 13 30 0.2 . 1 . . . . 99 GLU CB . 16051 1 1286 . 1 1 99 99 GLU CG C 13 35.7 0.2 . 1 . . . . 99 GLU CG . 16051 1 1287 . 1 1 99 99 GLU N N 15 127.9 0.2 . 1 . . . . 99 GLU N . 16051 1 1288 . 1 1 100 100 VAL H H 1 7.97 0.02 . 1 . . . . 100 VAL H . 16051 1 1289 . 1 1 100 100 VAL HA H 1 3.98 0.02 . 1 . . . . 100 VAL HA . 16051 1 1290 . 1 1 100 100 VAL HB H 1 1.92 0.02 . 1 . . . . 100 VAL HB . 16051 1 1291 . 1 1 100 100 VAL HG11 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1 1292 . 1 1 100 100 VAL HG12 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1 1293 . 1 1 100 100 VAL HG13 H 1 0.69 0.02 . 2 . . . . 100 VAL HG1 . 16051 1 1294 . 1 1 100 100 VAL HG21 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1 1295 . 1 1 100 100 VAL HG22 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1 1296 . 1 1 100 100 VAL HG23 H 1 0.82 0.02 . 2 . . . . 100 VAL HG2 . 16051 1 1297 . 1 1 100 100 VAL C C 13 176.7 0.2 . 1 . . . . 100 VAL C . 16051 1 1298 . 1 1 100 100 VAL CA C 13 61 0.2 . 1 . . . . 100 VAL CA . 16051 1 1299 . 1 1 100 100 VAL CB C 13 33 0.2 . 1 . . . . 100 VAL CB . 16051 1 1300 . 1 1 100 100 VAL CG1 C 13 21.3 0.02 . 2 . . . . 100 VAL CG1 . 16051 1 1301 . 1 1 100 100 VAL CG2 C 13 21.3 0.02 . 2 . . . . 100 VAL CG2 . 16051 1 1302 . 1 1 100 100 VAL N N 15 121.1 0.2 . 1 . . . . 100 VAL N . 16051 1 1303 . 1 1 101 101 GLY H H 1 8.52 0.02 . 1 . . . . 101 GLY H . 16051 1 1304 . 1 1 101 101 GLY HA2 H 1 3.83 0.02 . 2 . . . . 101 GLY HA2 . 16051 1 1305 . 1 1 101 101 GLY HA3 H 1 3.98 0.02 . 2 . . . . 101 GLY HA3 . 16051 1 1306 . 1 1 101 101 GLY C C 13 174.2 0.2 . 1 . . . . 101 GLY C . 16051 1 1307 . 1 1 101 101 GLY CA C 13 45.8 0.2 . 1 . . . . 101 GLY CA . 16051 1 1308 . 1 1 101 101 GLY N N 15 114 0.2 . 1 . . . . 101 GLY N . 16051 1 1309 . 1 1 102 102 LEU H H 1 8.10 0.02 . 1 . . . . 102 LEU H . 16051 1 1310 . 1 1 102 102 LEU HA H 1 4.17 0.02 . 1 . . . . 102 LEU HA . 16051 1 1311 . 1 1 102 102 LEU HB2 H 1 1.52 0.02 . 2 . . . . 102 LEU HB2 . 16051 1 1312 . 1 1 102 102 LEU HB3 H 1 1.52 0.02 . 2 . . . . 102 LEU HB3 . 16051 1 1313 . 1 1 102 102 LEU HD11 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1 1314 . 1 1 102 102 LEU HD12 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1 1315 . 1 1 102 102 LEU HD13 H 1 0.83 0.02 . 2 . . . . 102 LEU HD1 . 16051 1 1316 . 1 1 102 102 LEU HD21 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1 1317 . 1 1 102 102 LEU HD22 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1 1318 . 1 1 102 102 LEU HD23 H 1 0.78 0.02 . 2 . . . . 102 LEU HD2 . 16051 1 1319 . 1 1 102 102 LEU C C 13 177.7 0.2 . 1 . . . . 102 LEU C . 16051 1 1320 . 1 1 102 102 LEU CA C 13 55.5 0.2 . 1 . . . . 102 LEU CA . 16051 1 1321 . 1 1 102 102 LEU CB C 13 42.6 0.2 . 1 . . . . 102 LEU CB . 16051 1 1322 . 1 1 102 102 LEU CD1 C 13 25.1 0.02 . 2 . . . . 102 LEU CD1 . 16051 1 1323 . 1 1 102 102 LEU CD2 C 13 23.6 0.02 . 2 . . . . 102 LEU CD2 . 16051 1 1324 . 1 1 102 102 LEU CG C 13 27.1 0.2 . 1 . . . . 102 LEU CG . 16051 1 1325 . 1 1 102 102 LEU N N 15 121.0 0.2 . 1 . . . . 102 LEU N . 16051 1 1326 . 1 1 103 103 GLU H H 1 8.42 0.02 . 1 . . . . 103 GLU H . 16051 1 1327 . 1 1 103 103 GLU HA H 1 4.09 0.02 . 1 . . . . 103 GLU HA . 16051 1 1328 . 1 1 103 103 GLU HB2 H 1 1.84 0.02 . 2 . . . . 103 GLU HB2 . 16051 1 1329 . 1 1 103 103 GLU HB3 H 1 1.84 0.02 . 2 . . . . 103 GLU HB3 . 16051 1 1330 . 1 1 103 103 GLU HG2 H 1 2.01 0.02 . 2 . . . . 103 GLU HG2 . 16051 1 1331 . 1 1 103 103 GLU HG3 H 1 2.1 0.02 . 2 . . . . 103 GLU HG3 . 16051 1 1332 . 1 1 103 103 GLU C C 13 176.4 0.2 . 1 . . . . 103 GLU C . 16051 1 1333 . 1 1 103 103 GLU CA C 13 57.1 0.2 . 1 . . . . 103 GLU CA . 16051 1 1334 . 1 1 103 103 GLU CB C 13 29.9 0.2 . 1 . . . . 103 GLU CB . 16051 1 1335 . 1 1 103 103 GLU CG C 13 35.9 0.2 . 1 . . . . 103 GLU CG . 16051 1 1336 . 1 1 103 103 GLU N N 15 120 0.2 . 1 . . . . 103 GLU N . 16051 1 1337 . 1 1 104 104 HIS H H 1 8.18 0.02 . 1 . . . . 104 HIS H . 16051 1 1338 . 1 1 104 104 HIS HA H 1 4.58 0.02 . 1 . . . . 104 HIS HA . 16051 1 1339 . 1 1 104 104 HIS HB2 H 1 3.09 0.02 . 2 . . . . 104 HIS HB2 . 16051 1 1340 . 1 1 104 104 HIS HB3 H 1 3.09 0.02 . 2 . . . . 104 HIS HB3 . 16051 1 1341 . 1 1 104 104 HIS C C 13 173.8 0.2 . 1 . . . . 104 HIS C . 16051 1 1342 . 1 1 104 104 HIS CA C 13 55.7 0.2 . 1 . . . . 104 HIS CA . 16051 1 1343 . 1 1 104 104 HIS CB C 13 30.0 0.2 . 1 . . . . 104 HIS CB . 16051 1 1344 . 1 1 104 104 HIS N N 15 119.0 0.2 . 1 . . . . 104 HIS N . 16051 1 1345 . 1 1 105 105 HIS H H 1 8.16 0.02 . 1 . . . . 105 HIS H . 16051 1 1346 . 1 1 105 105 HIS HA H 1 4.38 0.02 . 1 . . . . 105 HIS HA . 16051 1 1347 . 1 1 105 105 HIS HB2 H 1 3.05 0.02 . 2 . . . . 105 HIS HB2 . 16051 1 1348 . 1 1 105 105 HIS HB3 H 1 3.15 0.02 . 2 . . . . 105 HIS HB3 . 16051 1 1349 . 1 1 105 105 HIS CA C 13 57.2 0.2 . 1 . . . . 105 HIS CA . 16051 1 1350 . 1 1 105 105 HIS CB C 13 30.0 0.2 . 1 . . . . 105 HIS CB . 16051 1 1351 . 1 1 105 105 HIS N N 15 125.4 0.2 . 1 . . . . 105 HIS N . 16051 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 16051 _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 119.987 8.915 8.573 4634531 119.986 7.897 8.574 6034022 119.992 7.113 8.575 5582711 119.997 4.795 8.573 13897315 119.962 4.666 8.580 7254437 120.034 4.557 8.575 6067068 120.002 4.433 8.574 104392240 120.099 4.343 8.569 -3887725 120.013 4.258 8.575 27791232 120.005 2.349 8.574 23596708 120.003 2.020 8.574 80828680 120.017 1.905 8.572 9575570 120.013 1.779 8.575 20159968 120.003 2.100 8.581 24328988 128.508 8.733 8.919 4473140 128.538 8.578 8.917 4050795 128.513 4.799 8.915 16493633 128.504 4.669 8.916 12708937 128.517 4.254 8.916 90862328 128.522 2.351 8.915 9720842 128.527 2.022 8.916 14840203 128.541 1.877 8.916 3539603 128.519 1.709 8.916 44487916 128.524 1.478 8.915 16369703 128.524 0.867 8.916 10465427 128.505 0.628 8.917 9887368 121.010 9.077 8.747 3191761 121.078 8.251 8.751 5079400 121.022 8.572 8.752 3202579 121.022 8.916 8.752 5764145 121.457 4.793 8.746 20007308 121.444 4.387 8.723 5433163 121.513 4.348 8.723 4902148 121.470 4.251 8.721 148756288 121.541 4.105 8.723 3513388 121.172 4.923 8.742 9873738 121.113 4.545 8.753 13134251 121.032 4.664 8.748 49626652 121.018 3.656 8.748 25412836 121.034 2.958 8.744 4450026 121.054 1.123 8.747 8612436 121.055 0.991 8.747 7180774 121.088 0.858 8.750 7683673 120.995 0.736 8.752 3782129 121.049 0.621 8.746 17229392 121.463 1.807 8.716 3047542 121.048 1.718 8.747 10638746 121.037 1.477 8.746 13425583 126.339 9.862 9.078 3296677 126.340 8.749 9.079 3196958 126.292 7.497 9.081 4387166 126.329 4.438 9.080 16281815 126.191 4.666 9.089 9034746 126.298 4.543 9.080 82222688 126.267 3.656 9.080 4476064 125.839 4.796 9.099 45881420 125.773 4.693 9.098 7470132 125.826 4.010 9.099 34934000 126.322 2.199 9.081 12553324 126.310 1.715 9.080 26826350 126.302 2.910 9.081 9458614 126.279 2.649 9.080 10713570 126.305 1.530 9.080 36412208 126.303 1.117 9.080 34959112 125.870 2.714 9.100 7348412 126.299 0.761 9.081 5381346 124.661 8.345 9.850 4594363 124.670 6.935 9.851 6431052 124.683 3.238 9.851 6500227 124.681 4.429 9.850 15380821 124.683 2.198 9.850 4757929 124.683 1.683 9.852 12867970 124.679 1.594 9.850 15782885 124.691 1.124 9.851 3122258 124.674 0.611 9.850 9711484 124.653 0.493 9.851 7293537 119.506 9.854 8.344 8857486 119.506 9.598 8.344 4005965 119.506 7.510 8.340 13352412 119.506 6.953 8.340 14297526 119.506 4.191 8.346 13511273 119.506 3.935 8.346 20709778 119.506 4.426 8.353 4098100 119.506 4.579 8.364 4549923 119.506 3.250 8.344 4733666 119.506 2.202 8.348 6050546 119.506 1.953 8.342 40189796 119.506 1.718 8.346 8149512 119.506 1.576 8.346 10303215 119.506 1.055 8.339 16738366 119.506 0.770 8.340 42488592 119.126 8.343 7.503 19639924 119.133 6.949 7.511 3262900 119.099 7.305 7.508 3485681 119.135 4.728 7.503 21259534 119.132 3.930 7.505 9080518 119.140 3.787 7.507 2870126 119.127 2.649 7.504 31325152 119.126 2.905 7.504 19912730 119.121 3.238 7.506 4747280 119.128 2.204 7.506 5458072 119.125 1.976 7.503 8452978 119.139 1.715 7.504 8448831 119.128 1.556 7.504 3812261 119.132 1.413 7.507 3877000 119.132 1.108 7.504 13715471 119.129 0.761 7.503 36337560 119.095 0.632 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2802312 112.862 4.608 6.361 2475734 112.784 4.285 6.353 1892656 112.855 3.324 6.357 2750151 112.910 2.635 6.358 3583780 112.812 2.632 7.381 6255927 112.803 3.319 7.380 4012806 112.885 4.794 7.370 10892275 112.866 0.515 6.359 7062396 112.902 0.746 6.359 1759967 112.947 0.092 6.356 2171623 112.873 0.107 7.374 2174432 112.867 0.512 7.380 6078092 112.794 0.664 7.375 1546225 109.557 0.512 6.865 9119833 109.608 0.517 7.059 5894835 109.585 1.827 6.863 7298072 109.610 1.831 7.065 2821108 109.611 2.018 7.060 3686334 109.573 2.021 6.864 8340859 109.577 2.283 6.864 8904773 109.576 2.187 6.864 6664166 109.607 2.274 7.061 3170591 109.554 3.757 6.867 3397399 109.578 3.748 7.059 3315154 109.571 4.798 6.862 5122490 109.577 4.798 7.058 8352868 109.550 5.133 6.864 2065593 109.582 5.108 7.057 1803933 109.603 6.863 7.060 144503328 109.842 7.151 6.836 -1588350 109.610 7.064 6.864 163234176 109.594 7.305 6.864 3652287 109.610 7.304 7.060 4309588 109.475 9.038 6.859 2386143 109.507 9.283 6.862 1797860 109.511 10.098 6.863 2330714 109.623 7.549 6.856 1759028 109.344 1.660 6.630 1654036 109.407 1.664 7.456 1882946 109.370 3.099 7.460 9750035 109.395 2.950 7.461 2877778 109.368 2.801 7.461 9001039 109.423 3.098 6.620 7019790 109.444 2.941 6.623 2578250 109.422 2.799 6.621 6352862 109.387 4.795 6.617 4963008 109.424 4.528 6.619 2023380 109.389 4.793 7.458 6670204 109.414 4.512 7.460 2649257 109.547 7.595 6.612 1579744 109.436 7.458 6.620 124289208 109.434 6.621 7.458 124306792 109.431 8.611 6.619 2126576 109.376 8.635 7.451 1608878 108.444 8.514 6.919 4807083 108.487 7.802 6.921 75685632 108.410 7.449 6.922 2827760 108.523 7.468 7.806 1784067 108.295 7.803 7.803 108218080 108.459 8.523 7.804 2595684 108.488 6.922 7.803 74685592 108.397 3.787 6.921 12503251 108.479 3.787 7.801 7145629 108.469 2.454 6.923 6249805 108.475 2.121 6.920 7633225 108.410 1.841 6.927 2140278 108.466 1.872 7.797 1653010 108.392 2.456 7.803 8603947 108.349 2.122 7.803 11960878 108.402 1.117 7.803 9491541 108.423 0.986 7.802 3448471 108.475 0.718 7.801 4856227 108.447 0.445 7.799 2156800 108.454 1.119 6.920 8269524 108.473 0.975 6.922 2865044 108.407 0.714 6.920 7390718 108.441 0.465 6.924 3354714 111.680 2.798 7.582 18570100 111.725 2.795 6.890 11316155 111.689 4.095 6.896 2293023 111.674 4.104 7.580 2383481 111.655 8.798 7.580 2563004 111.651 8.796 6.894 2365187 111.769 7.578 6.891 161457568 111.745 6.888 7.582 171622064 113.068 2.984 6.970 8241290 113.022 2.984 7.357 12237574 113.013 4.797 6.969 16473562 113.029 8.596 6.970 2998990 113.027 8.592 7.356 4225866 113.077 7.355 6.970 184302688 113.309 2.018 6.925 1936443 113.332 2.355 6.923 8720156 113.439 2.029 7.590 3228042 113.337 2.358 7.585 22283642 113.259 4.269 7.583 2355214 113.352 6.924 7.585 340288768 113.348 7.588 6.923 331164256 116.197 7.893 7.108 45161328 116.240 8.573 7.099 2237944 116.046 8.583 7.896 2175154 116.200 7.112 7.896 43573388 116.179 4.418 7.892 1905773 116.103 4.665 7.893 2382589 116.117 2.955 7.895 7536522 116.068 2.335 7.895 5877666 116.137 2.034 7.899 2362874 116.064 1.769 7.895 2990528 116.080 0.625 7.892 1940106 116.197 0.598 7.117 2086361 116.118 2.048 7.108 2080290 116.099 1.785 7.114 2371486 116.216 2.336 7.110 4250133 116.203 2.957 7.107 7004402 118.428 7.546 7.145 101907888 118.420 7.146 7.541 114103136 118.381 7.873 7.145 4925149 118.402 7.867 7.543 3766704 118.392 4.442 7.156 1735488 118.262 4.794 7.137 1900277 118.404 4.469 7.540 2321309 118.278 4.839 7.540 2912548 118.269 3.114 7.147 3098489 118.416 2.623 7.144 15587162 118.348 2.623 7.543 31284416 118.427 1.833 7.541 7012219 118.303 1.829 7.145 9929367 118.395 0.859 7.144 2379854 118.311 0.861 7.544 2740007 118.368 0.513 7.541 6512463 118.395 0.511 7.145 7555797 118.446 0.393 7.144 3161246 118.360 0.394 7.542 2217774 111.377 9.138 7.421 2050850 111.327 8.465 7.422 2132156 111.405 6.882 7.420 338358016 111.403 7.424 6.881 302107072 111.386 4.563 7.419 4888505 111.393 4.567 6.881 5959961 111.347 4.207 7.420 3328392 111.400 4.206 6.879 3142881 111.256 3.693 7.422 1936749 111.332 3.699 6.880 2039480 111.389 2.314 6.883 8759847 111.371 2.311 7.420 21074656 111.376 2.047 7.422 11097355 111.456 2.044 6.883 7467353 111.348 0.851 7.425 2434288 111.360 0.713 7.421 2400568 111.408 0.711 6.885 2246548 112.003 8.634 6.678 1957986 112.023 8.633 7.113 1661450 112.076 7.103 6.677 250340672 112.072 6.679 7.101 178955568 112.018 3.998 7.102 1622884 112.061 2.730 6.677 5973372 112.082 2.400 6.677 9657052 112.010 2.400 7.101 13126948 112.047 2.735 7.101 7560278 111.687 0.881 7.697 2912100 111.758 0.866 6.955 1837286 111.723 1.871 7.696 3388190 111.752 1.897 6.961 1943650 111.673 2.480 7.695 8065005 111.660 2.309 7.693 13098751 111.718 2.479 6.953 3387957 111.673 2.309 6.952 5276181 111.679 4.550 7.692 1933742 111.715 6.953 7.693 134648096 111.719 7.696 6.952 123881848 111.723 8.467 7.696 2124686 115.487 8.148 8.596 40399176 115.470 2.986 8.597 24272930 115.464 1.823 8.607 14017967 113.725 9.678 7.890 5002742 113.662 9.679 7.677 7830560 113.740 7.678 7.889 36390712 113.743 7.889 7.676 36774392 113.513 2.316 7.890 10208439 113.734 2.323 7.677 6123866 113.571 1.799 7.893 3385304 113.692 1.806 7.678 2776397 113.874 1.687 7.886 1754726 113.702 1.670 7.684 1709666 113.633 1.536 7.674 2922640 113.697 1.518 7.890 2194705 113.714 1.289 7.888 4073678 113.624 1.286 7.674 6257006 113.695 0.963 7.675 8526352 113.619 0.966 7.889 9525339 113.650 0.749 7.888 5590327 113.675 0.747 7.677 5032962 111.550 2.076 6.819 5374792 111.513 1.784 6.817 5102164 111.512 2.080 7.558 8799025 111.499 1.783 7.557 9830026 111.575 2.713 6.818 1676122 111.494 3.384 6.822 1955044 111.484 4.558 7.551 2261946 111.376 5.065 6.820 1545017 111.566 7.559 6.819 87786904 111.561 6.823 7.557 79619456 118.979 8.424 8.184 4857472 118.966 7.016 8.182 1973579 118.970 4.798 8.186 133593216 118.968 4.572 8.187 10286395 118.960 4.096 8.186 15459815 118.967 3.052 8.186 6372421 118.971 2.961 8.185 8353771 118.956 1.851 8.185 6102780 125.374 7.070 8.166 3575192 125.374 4.799 8.166 255060528 125.377 4.583 8.166 44831364 125.379 4.385 8.170 14540659 125.373 3.101 8.166 16348841 125.372 3.038 8.165 18800240 ; 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 . . . 16051 1 2 H 1 all . 3836 . . . 16051 1 3 H 1 amide . 10416 . . . 16051 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 16051 _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 62.524 3.711 4.433 13508405 62.560 2.109 4.433 119363352 62.522 1.813 4.431 62849976 62.557 8.599 4.433 170089824 31.973 0.729 2.111 43485732 31.973 1.799 2.100 297607520 31.973 4.466 2.094 57533344 31.973 3.711 2.097 13865683 31.973 3.704 1.777 9261525 31.973 4.444 1.777 67466816 31.973 0.715 1.760 24555050 31.973 2.114 1.774 270324192 27.189 1.337 1.880 17694930 27.189 0.912 1.883 15028223 27.189 0.656 1.886 40236408 27.189 0.649 1.968 12658067 27.189 0.934 1.974 11284041 27.189 1.315 1.971 13094894 27.189 3.455 1.880 40476452 27.189 3.433 1.971 36892412 27.189 3.667 1.962 56777508 27.189 3.667 1.886 87737256 27.189 3.792 1.894 66262656 27.189 3.784 1.953 84377384 27.189 4.407 1.962 18409160 27.189 4.729 1.968 20294468 27.189 4.744 1.886 13164811 27.189 4.400 1.886 17219578 27.189 2.224 1.974 78643544 27.189 2.246 1.877 30546252 50.196 4.577 3.637 106116448 50.203 4.577 3.712 113257168 50.375 1.914 3.630 125198544 50.312 1.901 3.719 97817352 50.187 2.070 3.717 23922562 50.375 1.914 3.630 125198544 55.832 2.378 4.256 38878800 55.821 2.044 4.256 107608912 55.613 1.910 4.252 93964080 55.725 1.755 4.248 29973202 55.725 0.846 4.248 16450522 55.725 0.693 4.253 18979094 55.813 8.940 4.256 138428656 55.709 8.592 4.255 60476624 55.618 7.989 4.251 130798072 29.685 3.675 2.028 40325936 29.685 3.675 2.028 40325936 29.466 4.266 2.035 47478300 29.619 4.576 2.031 52521588 29.456 9.030 2.043 36449404 29.295 8.599 2.022 56086280 29.473 4.813 2.042 28398584 29.531 2.293 2.040 200781440 29.466 4.149 2.044 106627088 34.095 2.046 2.363 125400456 33.717 4.278 2.357 40970572 33.773 7.608 2.354 24586632 33.740 8.599 2.355 32303594 33.708 8.938 2.355 17716414 42.984 1.506 1.730 100184240 42.984 0.890 1.730 63301740 42.984 0.671 1.733 24287864 42.984 0.656 1.484 40043640 42.984 0.854 1.490 101201480 42.984 1.711 1.487 120021656 42.984 4.678 1.733 16843256 42.984 4.685 1.484 22712666 42.984 8.942 1.742 25046390 42.984 8.949 1.478 14100238 42.984 8.751 1.481 13175532 26.457 0.656 1.698 38251596 26.457 0.905 1.698 79100808 26.457 8.942 1.692 17147040 26.457 4.685 1.683 14181428 25.636 0.685 0.878 218587232 25.636 4.693 0.872 22829908 23.805 2.971 0.625 33288522 23.805 2.356 0.625 29049272 23.805 1.733 0.623 114853600 23.805 1.506 0.625 74759456 23.805 4.663 0.634 62472080 23.805 8.773 0.634 18442210 23.805 8.935 0.634 13705914 23.805 8.576 0.631 10174171 61.666 3.689 4.547 22256340 61.666 1.118 4.547 103452208 61.666 0.766 4.564 49716252 61.666 9.103 4.538 111057776 61.666 8.781 4.535 15915986 71.963 1.134 3.657 94151208 71.963 1.024 3.655 66888028 71.966 0.618 3.657 27146700 71.952 4.814 3.657 36786672 71.972 4.579 3.658 29421438 71.960 8.769 3.657 40276368 20.942 9.100 1.119 32984580 20.908 8.771 1.120 9643746 20.929 7.823 1.119 20542460 20.925 7.506 1.118 19688466 20.913 6.944 1.120 20513790 20.947 2.934 1.119 37188884 20.938 2.667 1.119 51222092 20.920 3.689 1.115 70971368 20.920 4.539 1.115 46788592 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 54.531 8.436 4.420 18205986 54.531 8.788 4.420 111139888 54.322 9.876 4.428 62125208 54.531 1.125 4.426 10192293 54.531 0.956 4.420 18032784 54.531 0.641 4.429 11164544 54.531 1.542 4.432 55479552 54.531 1.740 4.429 64606408 54.531 2.194 4.412 57963856 28.111 1.132 1.693 27205418 28.138 1.132 1.532 41507656 28.081 1.560 1.693 270884160 28.089 1.709 1.532 194929040 28.075 2.221 1.694 23482486 28.098 2.220 1.533 27567682 28.132 2.943 1.694 40315488 28.141 2.954 1.532 45698100 28.846 4.854 1.528 15144733 28.136 4.818 1.692 21265876 28.172 4.819 1.529 19603264 28.093 4.445 1.694 35720216 28.082 4.447 1.531 22654590 28.131 9.104 1.532 10804998 24.724 2.220 1.529 45350240 24.678 2.950 1.523 55107028 24.717 1.131 1.529 45542292 24.691 4.455 1.529 28476634 24.723 9.099 1.529 31507764 66.876 1.998 3.237 11512201 66.869 1.667 3.241 41886768 66.869 1.452 3.240 20202774 66.875 0.515 3.241 99581608 66.880 0.671 3.242 56158044 66.900 7.499 3.238 9094422 66.868 9.873 3.241 17871494 13.211 0.509 0.640 202736880 13.211 1.205 0.646 53910888 13.211 1.689 0.640 115575880 13.321 3.576 0.643 17306254 13.265 3.261 0.642 28669160 13.234 3.058 0.642 13340582 13.287 5.404 0.642 40550960 13.258 9.366 0.643 16947546 13.342 9.232 0.645 8995056 13.270 8.982 0.644 41348360 13.292 9.883 0.642 17362506 17.773 1.662 0.482 114353416 17.760 3.258 0.481 36853980 17.845 0.694 0.478 185443296 17.770 4.008 0.483 35305672 17.763 5.449 0.479 10822229 17.768 9.876 0.479 11664653 17.773 8.364 0.481 13655970 17.760 8.017 0.482 15364692 36.470 0.514 1.591 69517136 36.480 0.646 1.591 51274756 36.562 3.261 1.591 13104765 36.532 7.647 1.588 7439672 36.507 9.879 1.590 32866240 36.437 8.363 1.590 15443703 36.481 6.963 1.590 16889476 63.246 1.988 3.927 72111208 63.244 1.067 3.927 110929496 63.312 0.788 3.926 51442112 63.223 0.502 3.926 15787650 63.256 8.363 3.926 39410796 63.233 7.508 3.927 21342250 31.952 0.759 1.979 88893288 31.952 1.081 1.976 51243176 31.781 3.953 1.966 40442068 31.952 4.246 1.974 34871848 31.952 4.422 1.985 33188988 31.952 4.634 1.985 41305248 31.952 7.968 1.997 29276088 31.952 8.795 1.994 17441246 21.776 0.803 1.042 211359008 21.776 1.989 1.045 124682192 21.776 3.945 1.056 116120784 21.776 4.202 1.050 36221332 21.776 7.521 1.045 10040794 21.776 8.363 1.047 37899484 18.880 1.074 0.766 254069648 18.885 2.214 0.766 30706836 18.895 1.987 0.766 112714544 18.885 1.744 0.767 41627364 18.904 1.563 0.767 28339324 18.957 4.600 0.767 19141444 18.895 4.216 0.766 81899384 18.909 3.953 0.767 46359044 18.888 8.363 0.766 86137624 18.893 7.519 0.766 43733716 18.838 6.963 0.766 9643108 54.413 0.781 4.716 41087780 54.413 0.912 4.714 67818744 54.413 1.520 4.719 29815448 54.413 1.762 4.722 31608338 54.413 1.982 4.728 69799536 54.413 2.209 4.722 16893084 54.413 2.678 4.731 36691204 54.413 2.942 4.728 49629460 54.413 3.696 4.728 16569236 41.157 1.137 2.646 34632460 41.240 0.885 2.628 48432524 41.167 0.527 2.629 9545663 41.311 1.760 2.633 9711415 41.218 2.319 2.624 10229897 41.227 4.867 2.628 42987116 41.253 8.738 2.630 39057384 41.207 7.550 2.637 76561128 41.243 7.164 2.631 20583600 41.218 9.118 2.645 6030974 41.218 2.927 2.650 95809640 41.218 1.147 2.911 32386450 41.218 0.810 2.914 10719504 41.218 2.678 2.911 118169088 41.218 4.759 2.908 31741830 41.218 4.751 2.645 27843726 41.218 7.535 2.914 22346498 62.256 2.007 3.788 15482880 62.229 1.450 3.788 20969380 62.232 1.133 3.789 12344633 62.252 0.742 3.789 65797768 62.227 0.472 3.790 58484876 62.234 8.547 3.789 84291968 62.251 7.820 3.789 16066427 62.232 7.468 3.789 39164332 62.240 6.942 3.788 31395576 35.312 1.446 1.988 20988514 35.339 0.756 1.989 40801104 35.299 0.475 1.987 82393992 35.306 3.812 1.986 13526486 35.350 7.477 1.988 50188848 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 24420980 18.479 8.539 0.444 16040233 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 27.329 2.041 0.725 17485704 27.329 2.011 1.423 45991492 27.329 3.271 1.420 14889157 27.329 3.257 0.719 11940439 27.329 3.821 0.728 21730810 27.329 3.799 1.428 14293365 27.329 7.499 0.716 14065527 27.329 7.499 1.426 19456774 27.329 0.480 1.426 61251692 27.329 0.473 0.728 64898236 60.647 2.313 4.263 79604096 60.637 8.545 4.264 22866020 60.672 7.451 4.263 21668722 60.637 7.090 4.262 27993370 60.670 0.764 4.262 108687608 35.904 4.268 2.284 37463844 35.904 2.077 2.287 302374976 35.904 0.795 2.293 74241864 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 17.794 8.547 0.696 87539312 17.801 7.449 0.697 46418900 17.808 6.945 0.697 15132302 21.211 2.312 0.757 183457744 21.211 4.297 0.757 117940504 21.211 4.751 0.760 54212788 21.200 7.472 0.757 22954742 21.211 8.561 0.763 31009268 21.211 9.103 0.775 20708426 56.787 4.869 4.251 10769528 56.787 2.671 4.253 11466161 56.787 2.290 4.253 26869594 56.787 1.938 4.251 106929192 56.787 8.730 4.253 158485568 30.002 4.275 1.933 75095992 30.002 8.627 1.930 64998312 36.024 8.620 2.185 32250358 36.024 8.810 2.182 27445720 36.024 9.088 2.185 17716346 36.024 7.924 2.176 24548238 36.024 4.275 2.182 42963884 36.024 0.788 2.179 57698460 53.461 6.919 5.172 54092896 53.474 8.879 5.173 18254482 53.487 8.640 5.172 73755104 53.446 3.252 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8.594 1.499 13607911 24.481 8.594 1.417 11889030 25.393 3.569 1.406 17790532 25.391 3.572 1.346 16311070 25.395 4.096 1.411 26962372 25.392 4.527 1.410 12999658 25.348 4.528 1.343 12131231 25.379 9.016 1.409 11180963 25.395 2.982 1.405 25424358 25.264 1.793 1.408 54972196 25.395 1.781 1.335 48123244 26.420 3.238 1.701 44326012 26.400 3.237 1.633 44738448 27.159 7.882 1.671 67749840 26.408 8.434 1.703 9264581 26.360 8.431 1.634 10851749 26.983 8.123 1.562 27909958 26.251 6.623 1.596 26918432 30.409 8.715 1.756 13672025 30.425 7.607 1.754 14331652 30.426 7.604 2.231 18686518 30.466 6.724 2.232 17899990 30.419 6.723 1.751 15403195 30.450 4.500 1.754 20633812 30.506 4.496 2.232 14635754 30.572 1.795 2.237 62522424 30.572 2.220 1.751 80635016 33.148 8.820 1.859 11406031 32.996 8.822 1.769 13416127 33.208 7.448 1.859 18422748 33.178 7.449 1.763 16417849 33.169 4.607 1.765 26541182 33.217 4.603 1.859 27350660 33.313 2.162 1.774 66612728 33.313 1.766 1.850 259954144 33.844 8.371 1.516 16583854 33.866 4.824 1.517 9949635 33.922 0.931 1.516 14436112 33.922 1.238 1.516 12085202 33.762 9.297 2.292 14165666 33.620 9.283 2.016 12360499 33.916 6.884 2.020 12592170 33.618 6.880 2.302 13288605 33.760 5.045 2.290 12734321 33.702 5.043 2.021 23944288 25.409 9.001 1.342 11385405 25.409 2.971 1.360 28415252 42.749 1.191 2.620 20938750 54.874 2.451 5.837 34035012 42.740 6.785 2.411 7910280 29.857 0.926 1.294 53855472 29.873 1.314 0.899 40521764 29.823 2.439 1.294 8688436 29.873 2.437 0.902 9229643 29.917 2.620 1.288 14949923 29.892 2.612 0.895 11304660 29.845 1.749 0.900 19470604 29.904 1.563 0.890 10108430 29.704 1.742 1.295 25226676 29.741 4.821 0.893 12026315 29.829 4.820 1.296 15143214 29.881 6.815 0.898 4924106 29.895 6.809 1.289 8552087 30.003 7.074 1.293 4776841 32.453 9.018 1.575 40222872 32.418 8.634 1.573 4818144 32.485 4.770 1.576 8479118 32.385 4.575 1.575 11321538 32.464 4.108 1.574 48907144 32.422 3.582 1.577 10623100 32.501 2.961 1.576 11192066 32.462 1.843 1.575 183691216 32.430 1.423 1.575 102030528 25.385 0.619 1.415 28673594 127.594 8.645 7.332 5857917 127.472 9.954 7.331 25002594 127.515 3.036 7.331 6779796 127.549 0.107 7.333 4506674 127.570 0.512 7.320 2584265 127.392 5.395 7.327 2973651 127.360 4.164 7.331 3461524 127.530 10.101 7.199 20980184 127.539 8.707 7.201 2498089 127.542 8.027 7.198 5820324 127.258 8.022 7.194 5690977 127.545 5.236 7.199 8251909 127.250 5.236 7.195 7602860 127.517 3.713 7.197 3559261 127.201 3.699 7.193 3740551 127.228 3.334 7.199 4944814 127.175 3.137 7.197 7102362 127.193 2.646 7.196 6152170 124.506 7.270 7.054 43936256 124.604 6.900 7.051 39916844 124.470 0.889 7.059 5692037 124.328 1.292 7.062 4277180 124.342 0.750 7.065 5818418 123.805 7.417 7.140 23042958 123.843 2.985 7.146 4567294 123.609 5.175 6.895 18634748 123.921 2.912 6.902 2825015 123.502 3.230 6.888 4173148 123.839 2.481 6.893 4627544 123.713 1.888 6.896 8991321 123.703 0.876 6.896 3913232 123.598 8.616 6.894 4712937 123.696 10.104 6.894 22907340 121.143 7.060 6.772 6719719 121.105 2.608 6.767 2931338 121.015 4.092 7.068 2688760 121.625 2.975 7.080 2163912 120.890 6.766 7.324 10263819 120.141 6.747 7.321 2479831 120.571 0.865 7.327 4137264 119.201 4.796 7.192 13057954 119.227 3.126 7.192 8746148 119.241 0.386 7.194 3717052 118.968 0.383 7.193 3513052 114.505 7.139 7.422 25968512 114.539 9.955 7.423 9180915 114.336 0.108 7.418 3744144 114.632 0.505 7.423 3027755 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 131.730 8.567 6.597 6391629 132.132 9.393 6.583 2493668 131.682 9.410 6.602 2604728 131.707 6.730 6.596 29539036 131.992 5.858 6.615 2007619 131.913 4.995 6.595 2678335 131.725 2.530 6.597 10313465 131.720 2.427 6.593 10552024 131.676 1.618 6.596 19871902 131.707 0.785 6.597 12899794 131.787 1.179 6.600 2428902 131.751 0.046 6.598 5647404 131.654 0.284 6.600 4377541 129.948 8.385 6.750 3511968 129.400 8.385 6.737 2767842 129.924 6.616 6.749 33464750 129.813 1.648 6.749 5462200 129.648 1.797 6.751 5425612 129.823 0.753 6.748 14540818 129.821 0.024 6.745 2036058 129.824 -0.129 6.748 3432118 129.848 0.865 6.751 9586521 128.704 6.736 6.597 15692247 128.836 1.793 6.590 2788920 128.699 0.892 6.595 11095485 128.708 0.743 6.597 4589748 128.851 -0.130 6.603 2931526 122.399 7.041 6.882 26906832 122.604 7.681 6.882 13444793 121.909 7.684 6.880 7068804 121.121 8.996 7.682 2718322 121.411 6.885 7.682 8629253 120.980 6.885 7.680 10588752 121.039 4.739 7.681 9156242 121.032 4.128 7.682 5152948 121.168 3.691 7.680 3864781 121.103 3.124 7.682 2736115 120.937 1.339 7.682 2918846 121.161 0.384 7.672 1722434 121.080 0.241 7.682 2957382 122.378 4.154 6.883 3784986 122.259 1.326 6.887 2768134 122.588 0.248 6.889 3125483 122.309 0.371 6.883 4094561 133.355 2.173 6.665 5541414 133.394 2.725 6.674 2922860 133.329 4.116 6.663 3564475 133.352 0.749 6.662 4743351 133.392 0.606 6.662 5609358 118.352 6.993 6.787 94790184 118.400 4.798 6.787 17767412 118.407 4.571 6.787 4307882 118.106 0.893 6.781 2761168 118.470 1.741 6.788 4719826 118.407 2.733 6.788 4278505 118.363 2.609 6.785 3928324 118.185 2.183 6.707 2359958 118.185 1.714 6.707 2787338 118.378 0.927 6.699 2225760 118.282 0.751 6.703 3203965 118.285 4.804 6.711 4344771 131.293 5.423 7.047 5052900 131.347 3.090 7.044 4389202 131.107 2.766 7.049 5411272 131.192 2.015 7.069 2091126 131.192 0.711 7.044 6938581 129.768 4.586 7.068 2907879 129.358 8.796 7.086 1767049 132.926 8.421 6.993 4853290 133.010 6.796 6.996 93421032 133.029 4.794 6.999 6148032 133.028 4.564 6.996 14492192 133.038 2.693 6.997 19014814 132.999 2.608 6.998 19819272 133.039 2.418 6.995 3723148 133.015 2.081 6.997 2451381 132.951 1.767 6.997 7394771 133.121 0.891 6.995 2263537 120.653 7.331 6.765 12768864 120.750 0.861 6.767 3233772 ; 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 . . . 16051 2 2 H 1 all . 10416 . . . 16051 2 3 H 1 aliphatic . 16666 . . . 16051 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 16051 _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 17.631 11.894 0.710 4.075 -176631 17.631 11.894 0.710 4.075 -176631 19.287 12.470 0.121 4.264 0 15.707 13.617 0.644 1.597 -56934 13.912 13.617 1.619 5.465 -46858 28.184 13.617 2.045 2.164 -21795 29.451 13.617 4.031 1.850 13956 23.938 13.617 1.609 0.699 -43124 20.960 13.617 3.911 1.295 -63663 20.994 13.617 3.913 1.537 -49924 22.599 13.617 3.915 0.755 401136 25.532 13.617 1.618 0.877 -52664 25.434 13.617 4.667 0.876 60825 27.097 13.617 3.914 1.680 46198 22.710 13.617 0.773 0.840 54978 18.911 13.617 4.722 0.614 31657 15.707 13.617 0.644 1.597 -56934 13.912 13.617 1.619 5.465 -46858 28.184 13.617 2.045 2.164 -21795 29.451 13.617 4.031 1.850 13956 23.938 13.617 1.609 0.699 -43124 20.960 13.617 3.911 1.295 -63663 20.994 13.617 3.913 1.537 -49924 22.599 13.617 3.915 0.755 401136 25.532 13.617 1.618 0.877 -52664 25.434 13.617 4.667 0.876 60825 27.097 13.617 3.914 1.680 46198 22.710 13.617 0.773 0.840 54978 18.911 13.617 4.722 0.614 31657 13.980 13.752 1.606 5.451 -41491 13.980 13.752 1.606 5.451 -41491 21.676 13.818 0.774 1.693 -89342 21.676 13.818 0.774 1.693 -89342 21.676 13.818 0.774 1.693 -89342 21.676 13.818 0.774 1.693 -89342 32.660 13.834 5.458 0.714 -23535 32.660 13.834 5.458 0.714 -23535 20.078 13.882 0.423 0.519 -239576 20.078 13.882 0.423 0.519 -239576 26.810 13.883 5.457 0.591 26772 26.810 13.883 5.457 0.591 26772 20.825 13.890 0.400 0.103 -126634 20.825 13.890 0.400 0.103 -126634 23.921 13.893 5.460 0.696 49030 23.921 13.893 5.460 0.696 49030 33.588 13.910 5.459 5.000 -50572 33.588 13.910 5.459 5.000 -50572 26.763 13.928 5.451 1.477 19313 26.763 13.928 5.451 1.477 19313 21.407 13.996 4.248 0.701 32127 21.407 13.996 4.248 0.701 32127 15.165 13.997 4.250 2.095 -90601 15.165 13.997 4.250 2.095 -90601 15.173 14.011 4.254 2.177 -89968 15.173 14.011 4.254 2.177 -89968 29.943 14.037 4.251 1.853 108613 29.943 14.037 4.251 1.853 108613 13.617 14.045 4.566 1.878 -56624 13.617 14.045 4.566 1.878 -56624 21.802 14.048 4.163 1.526 -101518 21.802 14.048 4.163 1.526 -101518 23.452 14.058 4.164 0.803 210083 23.452 14.058 4.164 0.803 210083 21.763 14.060 4.566 0.708 23410 21.763 14.060 4.566 0.708 23410 24.969 14.077 4.170 0.854 70954 24.969 14.077 4.170 0.854 70954 13.617 14.080 4.566 2.495 -31019 13.617 14.080 4.566 2.495 -31019 18.927 14.369 0.636 0.612 353108 18.927 14.369 0.636 0.612 353108 14.372 14.386 4.569 1.737 -30353 14.372 14.386 4.569 1.737 -30353 26.446 14.401 0.637 0.444 175019 26.446 14.401 0.637 0.444 175019 26.753 14.403 0.641 1.377 206575 26.753 14.403 0.641 1.377 206575 21.408 14.404 0.636 1.546 -105595 21.408 14.404 0.636 1.546 -105595 18.770 14.409 0.635 5.033 41985 18.770 14.409 0.635 5.033 41985 20.726 14.411 0.634 -0.377 232409 20.726 14.411 0.634 -0.377 232409 22.619 14.412 0.631 0.838 122354 22.619 14.412 0.631 0.838 122354 24.998 14.415 0.635 -0.127 69276 24.998 14.415 0.635 -0.127 69276 14.247 14.420 4.567 1.996 -24113 23.167 14.420 0.635 0.919 107569 14.247 14.420 4.567 1.996 -24113 23.167 14.420 0.635 0.919 107569 27.329 14.421 0.637 0.717 23832 27.329 14.421 0.637 0.717 23832 13.617 14.507 4.541 0.775 28629 13.617 14.507 4.541 0.775 28629 18.400 14.539 1.998 0.448 -201000 18.400 14.539 1.998 0.448 -201000 33.402 14.544 2.001 0.482 122236 33.402 14.544 2.001 0.482 122236 29.950 14.565 0.637 3.430 -22744 29.950 14.565 0.637 3.430 -22744 15.530 14.569 2.008 0.806 -47176 15.530 14.569 2.008 0.806 -47176 27.329 14.589 1.989 0.717 -25060 27.329 14.589 1.989 0.717 -25060 16.997 14.637 1.735 4.157 -88635 16.997 14.637 1.735 4.157 -88635 33.118 14.656 1.728 0.393 30231 33.118 14.656 1.728 0.393 30231 21.283 14.657 1.733 0.873 -351189 21.283 14.657 1.733 0.873 -351189 29.828 14.664 -0.291 6.678 74236 29.828 14.664 -0.291 6.678 74236 27.762 14.668 4.691 7.053 -26379 27.762 14.668 4.691 7.053 -26379 21.278 14.669 1.739 0.183 -46517 21.278 14.669 1.739 0.183 -46517 18.992 14.671 -0.290 0.610 -38951 18.992 14.671 -0.290 0.610 -38951 15.831 14.696 4.690 5.443 76562 15.831 14.696 4.690 5.443 76562 22.746 14.701 -0.285 0.754 -84283 22.746 14.701 -0.285 0.754 -84283 29.511 14.734 -0.207 7.002 500343 29.511 14.734 -0.207 7.002 500343 15.194 14.818 -0.214 4.574 -24863 15.194 14.818 -0.214 4.574 -24863 32.398 14.826 4.143 2.471 43810 32.398 14.826 4.143 2.471 43810 22.531 14.840 5.410 0.998 20462 22.531 14.840 5.410 0.998 20462 29.917 14.853 4.149 2.198 54371 22.653 14.853 4.148 0.739 18131 29.917 14.853 4.149 2.198 54371 22.653 14.853 4.148 0.739 18131 21.149 14.855 2.292 0.762 -393124 21.149 14.855 2.292 0.762 -393124 19.165 14.861 2.294 4.265 -158496 19.165 14.861 2.294 4.265 -158496 17.701 14.866 2.286 0.698 -364973 17.701 14.866 2.286 0.698 -364973 20.041 14.893 5.406 0.521 31675 20.041 14.893 5.406 0.521 31675 15.802 14.991 -0.298 4.106 -24492 15.802 14.991 -0.298 4.106 -24492 23.355 15.024 4.809 0.721 109777 23.355 15.024 4.809 0.721 109777 17.676 15.032 1.684 1.750 23083 17.676 15.032 1.684 1.750 23083 22.972 15.075 2.583 1.115 -33243 22.972 15.075 2.583 1.115 -33243 27.951 15.078 2.307 2.183 -26422 27.951 15.078 2.307 2.183 -26422 17.728 15.096 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4.132 146761 17.412 17.895 0.538 4.489 27734 17.412 17.895 0.538 4.489 27734 20.201 17.905 4.616 4.286 26657 20.201 17.905 4.616 4.286 26657 17.234 17.920 0.534 4.154 31967 17.234 17.920 0.534 4.154 31967 21.288 17.922 0.519 0.184 205848 21.288 17.922 0.519 0.184 205848 33.196 17.925 0.520 0.390 -360900 33.196 17.925 0.520 0.390 -360900 19.896 17.927 0.520 1.840 -133452 19.896 17.927 0.520 1.840 -133452 20.082 17.928 0.520 4.070 92784 20.082 17.928 0.520 4.070 92784 21.278 17.933 0.519 0.877 281598 21.278 17.933 0.519 0.877 281598 14.674 17.934 0.519 1.738 -68678 14.674 17.934 0.519 1.738 -68678 18.291 17.951 4.620 0.563 82994 18.291 17.951 4.620 0.563 82994 23.790 17.956 4.618 0.735 165900 23.790 17.956 4.618 0.735 165900 28.445 17.964 0.518 1.329 39644 28.445 17.964 0.518 1.329 39644 32.359 18.021 4.087 1.833 86096 32.359 18.021 4.087 1.833 86096 22.774 18.024 4.087 3.552 195411 22.774 18.024 4.087 3.552 195411 33.652 18.033 0.842 0.709 -310093 33.652 18.033 0.842 0.709 -310093 32.354 18.059 4.089 1.583 92032 32.354 18.059 4.089 1.583 92032 29.082 18.073 4.089 1.760 39275 29.082 18.073 4.089 1.760 39275 20.146 18.109 0.539 4.292 28475 20.146 18.109 0.539 4.292 28475 15.526 18.211 0.458 0.805 213583 15.526 18.211 0.458 0.805 213583 26.159 18.229 0.543 0.606 182667 26.159 18.229 0.543 0.606 182667 20.920 18.241 0.477 1.123 28779 20.920 18.241 0.477 1.123 28779 22.680 18.249 1.751 3.555 -54796 22.680 18.249 1.751 3.555 -54796 21.687 18.256 0.556 0.680 278836 21.687 18.256 0.556 0.680 278836 22.480 18.265 0.559 0.998 222463 22.480 18.265 0.559 0.998 222463 33.719 18.274 0.566 1.831 42281 33.719 18.274 0.566 1.831 42281 23.775 18.282 0.557 0.735 320125 23.775 18.282 0.557 0.735 320125 26.264 18.326 1.328 1.521 60385 26.264 18.326 1.328 1.521 60385 33.387 18.344 0.447 0.481 -333493 33.387 18.344 0.447 0.481 -333493 32.646 18.346 1.333 3.972 -282916 17.354 18.346 1.330 4.227 109133 32.646 18.346 1.333 3.972 -282916 17.354 18.346 1.330 4.227 109133 26.776 18.348 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1.632 46183 29.810 21.354 0.699 1.632 46183 17.868 21.363 0.708 0.848 191108 17.868 21.363 0.708 0.848 191108 14.758 21.364 0.807 2.020 -27095 14.758 21.364 0.807 2.020 -27095 18.381 21.365 0.744 0.450 68293 18.381 21.365 0.744 0.450 68293 20.803 21.370 1.536 -0.376 -37580 20.803 21.370 1.536 -0.376 -37580 31.186 21.375 0.860 3.393 34550 31.186 21.375 0.860 3.393 34550 21.427 21.380 1.092 1.668 89828 21.427 21.380 1.092 1.668 89828 26.736 21.383 0.794 1.030 33768 26.736 21.383 0.794 1.030 33768 18.961 21.390 1.545 0.610 -291068 18.961 21.390 1.545 0.610 -291068 14.458 21.396 1.543 0.638 -146751 14.458 21.396 1.543 0.638 -146751 32.132 21.400 0.696 0.707 -47522 32.132 21.400 0.696 0.707 -47522 21.397 21.402 1.082 1.706 79279 21.397 21.402 1.082 1.706 79279 26.843 21.405 1.538 0.869 -45446 26.843 21.405 1.538 0.869 -45446 20.961 21.406 0.765 4.574 44299 20.961 21.406 0.765 4.574 44299 23.002 21.415 2.924 1.113 -76876 23.002 21.415 2.924 1.113 -76876 19.938 21.417 0.864 1.837 -20563 19.938 21.417 0.864 1.837 -20563 17.525 21.419 0.708 1.771 -30183 17.525 21.419 0.708 1.771 -30183 22.667 21.420 3.036 0.739 -28861 22.667 21.420 3.036 0.739 -28861 26.764 21.421 1.547 1.380 -82691 26.764 21.421 1.547 1.380 -82691 27.651 21.436 2.766 7.051 30964 27.651 21.436 2.766 7.051 30964 18.427 21.442 2.754 0.447 -33287 18.427 21.442 2.754 0.447 -33287 27.745 21.444 3.068 7.053 27082 27.745 21.444 3.068 7.053 27082 18.107 21.449 1.654 0.559 -18755 18.107 21.449 1.654 0.559 -18755 18.709 21.450 1.543 5.038 -45834 18.709 21.450 1.543 5.038 -45834 23.014 21.456 2.773 0.696 -43655 23.014 21.456 2.773 0.696 -43655 19.799 21.498 0.661 0.650 221709 19.799 21.498 0.661 0.650 221709 15.534 21.509 2.761 0.804 -40877 15.534 21.509 2.761 0.804 -40877 22.804 21.520 3.073 0.696 -57399 22.804 21.520 3.073 0.696 -57399 15.859 21.522 3.079 5.438 -30938 15.859 21.522 3.079 5.438 -30938 26.487 21.523 1.655 0.445 -68403 26.487 21.523 1.655 0.445 -68403 15.551 21.525 3.051 0.807 -38243 15.551 21.525 3.051 0.807 -38243 15.587 21.534 0.788 0.678 172758 33.519 21.534 1.166 5.007 20884 21.874 21.534 3.921 1.170 13219 15.587 21.534 0.788 0.678 172758 33.519 21.534 1.166 5.007 20884 21.874 21.534 3.921 1.170 13219 18.362 21.536 3.067 0.449 -28997 18.362 21.536 3.067 0.449 -28997 21.595 21.544 1.672 1.171 54905 15.844 21.544 2.755 5.438 -24655 15.844 21.544 2.755 5.438 -24655 21.595 21.544 1.672 1.171 54905 15.844 21.544 2.755 5.438 -24655 15.844 21.544 2.755 5.438 -24655 23.393 21.550 0.749 2.531 -25368 23.393 21.550 0.749 2.531 -25368 21.031 21.557 0.750 4.209 40289 26.809 21.557 1.665 0.590 -87231 21.031 21.557 0.750 4.209 40289 26.809 21.557 1.665 0.590 -87231 26.447 21.559 1.166 0.444 -87072 26.447 21.559 1.166 0.444 -87072 32.904 21.579 0.747 5.120 -30080 32.904 21.579 0.747 5.120 -30080 23.649 21.589 1.670 0.731 -71568 23.649 21.589 1.670 0.731 -71568 33.529 21.590 0.745 0.482 -153486 23.785 21.590 1.171 0.734 -66110 33.529 21.590 0.745 0.482 -153486 23.785 21.590 1.171 0.734 -66110 20.165 21.596 0.733 4.375 133371 20.165 21.596 0.733 4.375 133371 15.602 21.597 0.746 0.806 138632 15.602 21.597 0.746 0.806 138632 26.821 21.599 1.173 0.590 -69933 26.821 21.599 1.173 0.590 -69933 25.707 21.601 0.746 0.288 137754 13.617 21.601 0.763 5.843 37434 25.707 21.601 0.746 0.288 137754 13.617 21.601 0.763 5.843 37434 33.677 21.602 0.723 1.829 190800 33.677 21.602 0.723 1.829 190800 27.860 21.616 1.178 1.391 -40482 27.860 21.616 1.178 1.391 -40482 23.722 21.617 2.626 7.205 30527 23.722 21.617 2.626 7.205 30527 33.438 21.624 1.659 5.016 25757 33.438 21.624 1.659 5.016 25757 33.651 21.625 1.684 0.711 30369 23.724 21.625 3.314 7.207 23714 33.651 21.625 1.684 0.711 30369 23.724 21.625 3.314 7.207 23714 23.209 21.636 1.512 0.918 -50908 23.209 21.636 1.512 0.918 -50908 21.893 21.643 1.034 3.928 263533 21.893 21.643 1.034 3.928 263533 26.411 21.655 0.700 0.444 61884 26.411 21.655 0.700 0.444 61884 21.589 21.657 2.640 3.329 67489 21.589 21.657 2.640 3.329 67489 31.030 21.664 3.316 5.249 61990 31.030 21.664 3.316 5.249 61990 18.271 21.672 0.695 0.563 295108 18.271 21.672 0.695 0.563 295108 18.688 21.674 1.681 0.826 -230023 18.688 21.674 1.681 0.826 -230023 28.229 21.675 0.747 6.602 -29015 28.229 21.675 0.747 6.602 -29015 17.709 21.678 1.688 5.438 -45970 17.709 21.678 1.688 5.438 -45970 13.854 21.692 1.683 0.779 -110832 13.854 21.692 1.683 0.779 -110832 25.551 21.696 1.529 1.543 19702 31.011 21.696 2.629 5.251 52571 25.551 21.696 1.529 1.543 19702 31.011 21.696 2.629 5.251 52571 28.490 21.702 1.044 4.195 66973 28.490 21.702 1.044 4.195 66973 18.819 21.711 1.043 0.773 517259 18.819 21.711 1.043 0.773 517259 31.665 21.718 1.042 1.974 132728 31.665 21.718 1.042 1.974 132728 33.610 21.728 1.711 4.994 23466 33.610 21.728 1.711 4.994 23466 31.678 21.738 3.922 1.975 101109 31.678 21.738 3.922 1.975 101109 29.659 21.743 2.405 0.907 -15814 29.659 21.743 2.405 0.907 -15814 29.777 21.745 2.620 1.275 -22866 29.605 21.745 2.414 1.281 -17926 29.777 21.745 2.620 1.275 -22866 29.605 21.745 2.414 1.281 -17926 21.712 21.748 3.922 1.045 414501 21.712 21.748 3.922 1.045 414501 21.740 21.750 2.405 2.620 228997 21.740 21.750 2.405 2.620 228997 18.819 21.763 3.923 0.772 134034 18.819 21.763 3.923 0.772 134034 21.317 21.767 0.715 4.108 82861 21.317 21.767 0.715 4.108 82861 21.317 21.767 0.715 4.108 82861 21.317 21.767 0.715 4.108 82861 17.745 21.769 3.919 0.486 41610 17.745 21.769 3.919 0.486 41610 14.104 21.779 1.515 4.167 -126991 14.104 21.779 1.515 4.167 -126991 23.438 21.783 1.519 0.802 -246504 23.438 21.783 1.519 0.802 -246504 24.983 21.791 1.520 0.855 -313355 24.983 21.791 1.520 0.855 -313355 21.408 21.794 2.398 0.858 -87348 21.408 21.794 2.398 0.858 -87348 15.915 21.801 1.555 4.093 -24180 15.915 21.801 1.555 4.093 -24180 28.615 21.809 3.907 4.208 27692 28.615 21.809 3.907 4.208 27692 22.975 21.873 3.921 1.111 21090 22.975 21.873 3.921 1.111 21090 30.456 21.914 0.713 2.503 98910 30.456 21.914 0.713 2.503 98910 17.348 21.940 3.844 4.354 452846 17.348 21.940 3.844 4.354 452846 33.036 22.004 0.710 0.374 15082 33.036 22.004 0.710 0.374 15082 14.433 22.070 1.326 0.638 -45215 14.433 22.070 1.326 0.638 -45215 17.578 22.100 4.166 7.685 -33583 17.578 22.100 4.166 7.685 -33583 23.850 22.102 6.484 2.558 0 16.884 22.115 1.323 0.901 -34356 16.884 22.115 1.323 0.901 -34356 26.387 22.119 1.337 1.515 -52483 26.387 22.119 1.337 1.515 -52483 18.865 22.121 4.150 6.886 -21720 18.865 22.121 4.150 6.886 -21686 23.193 22.123 1.332 0.920 -115443 23.193 22.123 1.332 0.920 -115443 17.909 22.124 4.166 4.594 230316 17.909 22.124 4.166 4.594 230316 33.109 22.160 4.161 0.387 -19742 33.109 22.160 4.161 0.387 -19742 26.757 22.172 1.327 0.659 -72004 26.757 22.172 1.327 0.659 -72004 33.026 22.247 1.478 4.497 66311 33.026 22.247 1.478 4.497 66311 25.533 22.249 1.728 0.875 -173948 25.533 22.249 1.728 0.875 -173948 33.149 22.284 1.327 4.499 45200 33.149 22.284 1.327 4.499 45200 31.775 22.336 0.739 5.332 -18130 31.775 22.336 0.739 5.332 -18130 21.269 22.391 0.042 4.111 77929 21.269 22.391 0.042 4.111 77929 25.006 22.404 0.045 -0.127 69889 25.006 22.404 0.045 -0.127 69889 15.638 22.408 0.044 0.680 18890 15.638 22.408 0.044 0.680 18890 22.718 22.418 0.043 0.752 224118 22.718 22.418 0.043 0.752 224118 15.094 22.420 0.723 2.030 -19621 15.094 22.420 0.723 2.030 -19621 26.823 22.423 0.043 0.589 170108 26.823 22.423 0.043 0.589 170108 24.736 22.426 0.041 1.180 152187 24.736 22.426 0.041 1.180 152187 25.693 22.427 0.040 0.288 233317 25.693 22.427 0.040 0.288 233317 31.731 22.431 0.040 5.323 -98993 26.402 22.431 0.039 0.444 72744 31.731 22.431 0.040 5.323 -98993 26.402 22.431 0.039 0.444 72744 28.173 22.436 0.041 6.607 -49682 28.173 22.436 0.041 6.607 -49682 24.256 22.469 0.053 1.691 -24153 24.256 22.469 0.053 1.691 -24153 26.007 22.471 0.997 0.601 212881 26.007 22.471 0.997 0.601 212881 26.771 22.480 0.817 1.466 107106 26.771 22.480 0.817 1.466 107106 18.269 22.483 0.996 0.563 222027 18.269 22.483 0.996 0.563 222027 30.503 22.486 0.998 4.648 -302994 30.503 22.486 0.998 4.648 -302994 14.839 22.488 0.986 5.397 18026 14.839 22.488 0.986 5.397 18026 26.767 22.498 3.928 0.670 47857 26.767 22.498 3.928 0.670 47857 33.421 22.509 1.003 0.483 -128486 33.024 22.509 0.824 4.497 -256677 33.421 22.509 1.003 0.483 -128486 33.024 22.509 0.824 4.497 -256677 15.297 22.516 0.813 2.187 -55964 15.297 22.516 0.813 2.187 -55964 16.624 22.524 3.948 5.136 81842 16.624 22.524 3.948 5.136 81842 16.624 22.524 3.948 5.136 81842 16.624 22.524 3.948 5.136 81842 30.459 22.539 0.745 2.505 101283 30.459 22.539 0.745 2.505 101283 23.818 22.542 3.946 0.738 40086 23.818 22.542 3.946 0.738 40086 13.617 22.569 0.750 0.617 -187032 13.617 22.569 0.750 0.617 -187032 22.898 22.574 3.941 0.910 25798 22.898 22.574 3.941 0.910 25798 15.320 22.575 0.753 1.820 -41231 15.320 22.575 0.753 1.820 -41231 19.863 22.579 3.953 0.650 19224 19.863 22.579 3.953 0.650 19224 17.303 22.591 0.742 4.485 23802 17.303 22.591 0.742 4.485 23802 28.907 22.599 3.057 1.231 -59501 28.907 22.599 3.057 1.231 -59501 27.123 22.601 0.755 1.676 222762 27.123 22.601 0.755 1.676 222338 20.176 22.615 0.838 4.290 126885 20.176 22.615 0.838 4.290 126885 22.515 22.620 0.832 3.965 89023 22.515 22.620 0.832 3.965 89023 19.838 22.621 0.840 0.649 364204 19.838 22.621 0.840 0.649 364204 31.574 22.624 0.845 2.258 62328 31.574 22.624 0.845 2.258 62328 20.865 22.626 0.747 1.297 -93766 20.865 22.626 0.747 1.297 -93766 26.456 22.629 0.831 0.444 97356 26.456 22.629 0.831 0.444 97356 26.048 22.630 3.037 0.782 -71515 26.048 22.630 3.037 0.782 -71515 16.356 22.632 0.830 5.139 40974 16.356 22.632 0.830 5.139 40974 28.911 22.633 3.037 1.537 -57029 28.911 22.633 3.037 1.537 -57029 32.321 22.643 3.055 1.803 -70696 32.321 22.643 3.055 1.803 -70696 32.538 22.649 0.748 2.465 23349 32.538 22.649 0.748 2.465 23349 31.784 22.658 3.195 1.792 -64989 31.784 22.658 3.195 1.792 -64989 28.447 22.667 3.007 1.341 -16825 28.447 22.667 3.007 1.341 -16825 29.414 22.678 3.209 6.995 19472 29.414 22.678 3.209 6.995 19472 21.015 22.679 0.756 1.538 -77188 21.015 22.679 0.756 1.538 -77188 23.997 22.680 3.041 0.694 -27990 23.997 22.680 3.041 0.694 -27990 29.087 22.682 3.537 1.756 22524 32.337 22.682 3.550 1.588 27122 29.087 22.682 3.537 1.756 22524 32.337 22.682 3.550 1.588 27122 33.327 22.691 3.202 4.359 75225 33.327 22.691 3.202 4.359 75225 25.331 22.692 3.545 1.344 45784 25.331 22.692 3.545 1.344 45784 20.716 22.693 0.756 -0.377 113199 20.716 22.693 0.756 -0.377 113199 18.173 22.701 3.544 1.755 -40154 18.173 22.701 3.544 1.755 -40154 22.603 22.706 3.544 0.755 77416 22.603 22.706 3.544 0.755 77416 25.008 22.707 0.753 -0.127 214785 25.008 22.707 0.753 -0.127 214785 22.340 22.709 0.742 0.046 157388 22.340 22.709 0.742 0.046 157388 18.045 22.717 3.545 4.091 221103 18.045 22.717 3.545 4.091 221103 33.459 22.720 0.730 0.482 -200107 33.459 22.720 0.730 0.482 -200107 16.894 22.721 3.549 0.902 152602 16.894 22.721 3.549 0.902 152602 14.700 22.722 0.749 6.715 -78990 14.700 22.722 0.749 6.715 -78990 17.298 22.723 3.547 4.486 281583 17.298 22.723 3.547 4.486 281583 22.755 22.732 0.749 3.555 85953 22.755 22.732 0.749 3.555 85953 29.816 22.753 0.751 6.674 -51718 29.816 22.753 0.751 6.674 -51718 21.322 22.758 0.756 4.104 61755 21.322 22.758 0.756 4.104 61755 18.412 22.759 0.723 0.448 575127 18.412 22.759 0.723 0.448 575127 15.640 22.762 0.702 5.426 30029 20.593 22.762 0.721 4.574 207556 15.640 22.762 0.702 5.426 30029 20.593 22.762 0.721 4.574 207556 29.881 22.770 0.737 1.856 61693 29.881 22.770 0.737 1.856 61693 27.705 22.823 0.695 7.051 -69212 27.705 22.823 0.695 7.051 -69212 15.879 22.862 0.761 4.109 19006 15.879 22.862 0.761 4.109 19006 32.994 22.876 0.740 5.104 -23344 32.994 22.876 0.740 5.104 -23344 22.500 22.974 1.355 0.827 -79172 22.500 22.974 1.355 0.827 -79172 27.942 22.978 1.111 1.699 55736 27.942 22.978 1.111 1.699 55736 23.076 22.981 3.753 5.119 91432 23.076 22.981 3.753 5.119 91432 20.138 22.984 1.112 4.593 203252 20.138 22.984 1.112 4.593 203252 22.983 22.988 1.112 1.347 207898 22.983 22.988 1.112 1.347 207898 14.441 22.992 0.883 0.638 153033 14.441 22.992 0.883 0.638 153033 18.823 23.004 1.114 0.772 229685 18.823 23.004 1.114 0.772 229685 28.521 23.010 1.112 4.199 153179 28.521 23.010 1.112 4.199 153179 23.942 23.023 1.353 0.697 -92512 23.942 23.023 1.353 0.697 -92512 23.952 23.034 1.856 0.696 -54938 23.952 23.034 1.856 0.696 -54938 18.363 23.041 0.887 1.333 98917 18.363 23.041 0.887 1.333 98917 26.036 23.067 1.349 0.782 -128663 26.438 23.067 2.721 0.444 -30697 26.036 23.067 1.349 0.782 -128663 26.438 23.067 2.721 0.444 -30697 26.782 23.069 0.900 0.671 431160 26.782 23.069 0.900 0.671 431160 29.885 23.070 2.177 6.676 24945 29.885 23.070 2.177 6.676 24945 29.742 23.084 2.723 6.680 22662 29.742 23.084 2.723 6.680 22662 28.255 23.094 1.852 1.341 -66459 28.255 23.094 1.852 1.341 -66459 26.034 23.100 1.860 0.783 -117757 26.034 23.100 1.860 0.783 -117757 26.823 23.102 2.706 0.591 -36171 26.823 23.102 2.706 0.591 -36171 28.257 23.104 1.351 1.341 -98580 28.257 23.104 1.351 1.341 -98580 18.997 23.112 2.720 0.611 -43721 18.997 23.112 2.720 0.611 -43721 33.597 23.116 1.349 5.001 25133 33.597 23.116 1.349 5.001 25133 16.123 23.139 2.172 5.131 -20913 16.123 23.139 2.172 5.131 -20913 15.235 23.155 1.867 2.187 24530 15.235 23.155 1.867 2.187 24523 26.857 23.158 2.168 0.588 -41289 26.857 23.158 2.168 0.588 -41289 16.160 23.172 0.916 4.685 128358 16.160 23.172 0.916 4.685 128358 26.342 23.176 0.912 1.526 106351 26.342 23.176 0.912 1.526 106351 16.071 23.201 2.722 5.129 -22189 16.071 23.201 2.722 5.129 -22189 26.453 23.213 2.173 0.445 -28974 26.453 23.213 2.173 0.445 -28974 31.592 23.216 0.916 4.752 -203821 31.592 23.216 0.916 4.752 -203821 29.936 23.220 0.915 3.433 -66791 29.936 23.220 0.915 3.433 -66791 23.243 23.223 1.799 1.506 89896 23.243 23.223 1.799 1.506 89896 25.842 23.230 1.503 0.974 -113123 25.842 23.230 1.503 0.974 -113123 33.336 23.238 1.490 4.717 31471 33.336 23.238 1.490 4.717 31471 18.964 23.241 2.182 0.612 -33446 18.964 23.241 2.182 0.612 -33446 25.843 23.246 1.800 0.974 -123005 25.843 23.246 1.800 0.974 -123005 33.295 23.247 1.787 4.713 38860 33.295 23.247 1.787 4.713 38860 25.831 23.269 0.727 1.274 84134 25.831 23.269 0.727 1.274 84134 19.732 23.271 2.521 0.643 -17006 19.732 23.271 2.521 0.643 -17006 13.617 23.286 2.521 5.844 -34132 13.617 23.286 2.521 5.844 -34102 22.395 23.292 2.445 0.043 -20778 23.313 23.306 0.813 1.108 297169 23.313 23.306 0.813 1.108 297169 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 31.515 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 20.778 23.343 0.726 7.058 -37017 20.778 23.343 0.726 7.058 -37017 18.630 23.359 0.703 0.828 129598 18.630 23.359 0.703 0.828 129598 32.733 23.360 0.727 4.991 -71627 32.733 23.360 0.727 4.991 -71627 23.350 23.374 6.445 0.911 40631 23.350 23.374 6.445 0.911 40631 24.633 23.407 6.484 1.936 0 21.765 23.408 0.804 1.528 -150359 21.765 23.408 0.804 1.528 -150359 23.474 23.415 0.795 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33.986 5.836 2.539 31904 28.176 33.986 0.777 6.605 42375 17.680 33.986 0.665 5.438 -49342 15.701 33.986 4.418 2.144 109309 16.899 33.986 0.775 0.901 -372859 28.940 33.986 4.854 1.232 -35503 28.903 33.986 4.853 1.545 -27754 32.355 33.986 4.859 1.797 -44450 26.472 33.986 0.786 0.445 -41337 23.805 33.986 1.613 0.702 30254 28.341 33.986 2.045 2.011 128782 29.075 33.986 2.342 2.031 326096 25.683 33.986 3.930 1.262 -14936 24.997 33.986 0.781 -0.127 -183001 19.845 33.986 0.785 0.651 -115307 19.852 33.986 5.821 0.647 -12330 33.704 33.986 0.711 1.823 46294 26.553 33.986 0.782 0.849 -86978 18.961 33.986 4.725 0.612 -45120 32.604 33.986 1.616 0.713 -93473 21.297 33.986 0.706 0.834 -188112 25.267 33.986 3.917 0.886 -80388 33.986 33.986 4.681 0.634 -23772 17.690 33.986 4.673 0.696 -26999 15.223 33.986 4.715 2.188 148476 25.802 33.986 2.044 0.975 39256 25.890 33.986 2.299 0.973 18941 25.831 33.986 4.417 0.974 -65600 17.830 33.986 0.739 1.773 92982 26.771 33.986 0.743 1.030 -197478 17.826 33.986 1.874 0.847 36678 17.953 33.986 0.705 0.846 -349683 24.711 33.986 0.646 1.180 -124306 19.218 33.986 4.685 2.338 25619 30.832 33.986 4.861 5.714 61576 21.269 33.986 4.702 0.878 -40993 15.437 33.986 0.779 1.815 50416 15.386 33.986 4.697 1.816 68592 25.014 33.986 0.656 5.357 27809 22.479 33.986 0.698 0.043 -23280 25.735 33.986 0.643 0.288 -31802 25.804 33.986 5.836 0.287 -13769 13.617 33.986 0.674 5.850 -17667 23.280 33.986 5.836 2.539 31904 28.176 33.986 0.777 6.605 42375 17.680 33.986 0.665 5.438 -49342 15.701 33.986 4.418 2.144 109309 16.899 33.986 0.775 0.901 -372859 28.940 33.986 4.854 1.232 -35503 28.903 33.986 4.853 1.545 -27754 32.355 33.986 4.859 1.797 -44450 26.472 33.986 0.786 0.445 -41337 23.805 33.986 1.613 0.702 30254 28.341 33.986 2.045 2.011 128782 29.075 33.986 2.342 2.031 326096 25.683 33.986 3.930 1.262 -14936 24.997 33.986 0.781 -0.127 -183001 19.845 33.986 0.785 0.651 -115307 19.852 33.986 5.821 0.647 -12245 33.704 33.986 0.711 1.823 46294 26.553 33.986 0.782 0.849 -86978 18.961 33.986 4.725 0.612 -45120 32.604 33.986 1.616 0.713 -93473 21.297 33.986 0.706 0.834 -188112 33.318 33.986 0.730 1.521 38198 33.318 33.986 0.730 1.521 38198 32.223 35.770 2.128 4.739 95912 32.223 35.770 2.128 4.739 95912 20.771 50.606 3.727 4.259 -24053 20.771 50.606 3.727 4.259 -24053 25.277 56.336 4.798 0.902 24353 25.277 56.336 4.798 0.902 24353 19.085 56.639 4.563 2.590 -57454 19.085 56.639 4.563 2.590 -57454 24.863 57.346 4.110 1.344 34866 24.863 57.346 4.110 1.344 34866 25.419 59.427 4.087 1.347 68878 25.407 59.427 4.088 1.416 72877 25.407 59.427 4.088 1.416 72877 25.419 59.427 4.087 1.347 68878 25.383 64.101 3.548 1.414 49983 25.383 64.101 3.548 1.414 49983 16.211 118.789 7.176 4.532 -23588 16.211 118.789 7.176 4.532 -23588 17.786 120.729 7.251 7.074 37438 17.786 120.729 7.251 7.074 37438 21.085 122.285 6.869 7.049 94590 21.085 122.285 6.869 7.049 94590 32.617 123.532 -0.103 5.179 100533 32.617 123.532 -0.103 5.179 100533 14.843 127.270 0.332 5.408 -19565 14.843 127.270 0.332 5.408 -19565 27.620 131.063 0.056 7.056 445627 27.620 131.063 0.056 7.056 445627 ; 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 . . . 16051 3 2 C 13 aliphatic . 3131 . . . 16051 3 3 H 1 aliphatic . 4197 . . . 16051 3 4 H 1 aliphatic . 8000 . . . 16051 3 stop_ save_