data_17020 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17020 _Entry.Title ; Solution NMR structure of CV_0373(175-257) protein from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR118A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-25 _Entry.Accession_date 2010-06-25 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _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 Yunhuang Yang . . . 17020 2 Theresa Ramelot . A. . 17020 3 Dongyan Wang . . . 17020 4 Colleen Ciccosanti . . . 17020 5 Lei Mao . . . 17020 6 Haleema Janjua . . . 17020 7 Thomas Acton . B. . 17020 8 Rong Xiao . . . 17020 9 John Everett . K. . 17020 10 Gaetano Montelione . T. . 17020 11 Michael Kennedy . A. . 17020 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' . 17020 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Chromobacterium violaceum' . 17020 'CV_0373(175-257) protein' . 17020 'NMR solution structure' . 17020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17020 spectral_peak_list 4 17020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 17020 '15N chemical shifts' 100 17020 '1H chemical shifts' 618 17020 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 . . 2012-08-02 2010-06-25 original author . 17020 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KZV 'BMRB Entry Tracking System' 17020 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17020 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22116783 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of BT_0084, a conjugative transposon lipoprotein from Bacteroides thetaiotamicron' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _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 2011 _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 Theresa Ramelot . A. . 17020 1 2 Yunhuang Yang . . . 17020 1 3 Rong Xiao . . . 17020 1 4 Thomas Acton . B. . 17020 1 5 John Everett . K. . 17020 1 6 Gaetano Montelione . T. . 17020 1 7 Michael Kennedy . A. . 17020 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chromobacterium violaceum' 17020 1 'CV_0373(175-257) protein' 17020 1 'Northeast Structural Genomics Consortium (NESG)' 17020 1 'Solution NMR' 17020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17020 _Assembly.ID 1 _Assembly.Name 'CV_0373(175-257) protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10580 _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 'CV_0373(175-257) protein' 1 $CV_0373(175-257)_protein A . yes native no no . . . 17020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CV_0373(175-257)_protein _Entity.Sf_category entity _Entity.Sf_framecode CV_0373(175-257)_protein _Entity.Entry_ID 17020 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CV_0373(175-257)_protein _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 ; MPHKEKHPLQDMFTSAIEAV ARDSGWAELSAVGSYLAKND PSFDPRNWGHGRLSQMVKKL DFLTVQESRNGSKLHSEIRL RHDGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'CV_0373(175-257) protein from Chromobacterium violaceum, preceded by non-native N-terminal Met and followed by 8 non-native C-terminal residues (LEHHHHHH)' _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10580 _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 PDB 2KZV . "Solution Nmr Structure Of Cv_0373(175-257) Protein From Chromobacterium Violaceum, Northeast Structural Genomics Consortium Tar" . . . . . 100.00 92 100.00 100.00 5.78e-60 . . . . 17020 1 2 no GB AAQ58051 . "conserved hypothetical protein [Chromobacterium violaceum ATCC 12472]" . . . . . 90.22 297 100.00 100.00 1.59e-52 . . . . 17020 1 3 no GB ERE17978 . "hypothetical protein O166_21855 [Pseudogulbenkiania ferrooxidans EGD-HP2]" . . . . . 90.22 295 98.80 100.00 5.56e-52 . . . . 17020 1 4 no GB KJH66165 . "Maebl [Chromobacterium violaceum]" . . . . . 90.22 294 100.00 100.00 1.70e-52 . . . . 17020 1 5 no GB KMN49431 . "Maebl [Chromobacterium violaceum]" . . . . . 90.22 294 100.00 100.00 1.63e-52 . . . . 17020 1 6 no GB KMN84167 . "Maebl [Chromobacterium violaceum]" . . . . . 90.22 294 100.00 100.00 1.63e-52 . . . . 17020 1 7 no REF WP_021475679 . "hypothetical protein [Pseudogulbenkiania ferrooxidans]" . . . . . 90.22 295 98.80 100.00 5.56e-52 . . . . 17020 1 8 no REF WP_045052090 . "Maebl [Chromobacterium violaceum]" . . . . . 90.22 294 100.00 100.00 1.70e-52 . . . . 17020 1 9 no REF WP_046158018 . "Maebl [Chromobacterium vaccinii]" . . . . . 90.22 295 98.80 100.00 5.32e-52 . . . . 17020 1 10 no REF WP_048404151 . "Maebl [Chromobacterium violaceum]" . . . . . 90.22 294 100.00 100.00 1.63e-52 . . . . 17020 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'unknown function, protein family(DUF88).' 17020 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 . 17020 1 2 . PRO . 17020 1 3 . HIS . 17020 1 4 . LYS . 17020 1 5 . GLU . 17020 1 6 . LYS . 17020 1 7 . HIS . 17020 1 8 . PRO . 17020 1 9 . LEU . 17020 1 10 . GLN . 17020 1 11 . ASP . 17020 1 12 . MET . 17020 1 13 . PHE . 17020 1 14 . THR . 17020 1 15 . SER . 17020 1 16 . ALA . 17020 1 17 . ILE . 17020 1 18 . GLU . 17020 1 19 . ALA . 17020 1 20 . VAL . 17020 1 21 . ALA . 17020 1 22 . ARG . 17020 1 23 . ASP . 17020 1 24 . SER . 17020 1 25 . GLY . 17020 1 26 . TRP . 17020 1 27 . ALA . 17020 1 28 . GLU . 17020 1 29 . LEU . 17020 1 30 . SER . 17020 1 31 . ALA . 17020 1 32 . VAL . 17020 1 33 . GLY . 17020 1 34 . SER . 17020 1 35 . TYR . 17020 1 36 . LEU . 17020 1 37 . ALA . 17020 1 38 . LYS . 17020 1 39 . ASN . 17020 1 40 . ASP . 17020 1 41 . PRO . 17020 1 42 . SER . 17020 1 43 . PHE . 17020 1 44 . ASP . 17020 1 45 . PRO . 17020 1 46 . ARG . 17020 1 47 . ASN . 17020 1 48 . TRP . 17020 1 49 . GLY . 17020 1 50 . HIS . 17020 1 51 . GLY . 17020 1 52 . ARG . 17020 1 53 . LEU . 17020 1 54 . SER . 17020 1 55 . GLN . 17020 1 56 . MET . 17020 1 57 . VAL . 17020 1 58 . LYS . 17020 1 59 . LYS . 17020 1 60 . LEU . 17020 1 61 . ASP . 17020 1 62 . PHE . 17020 1 63 . LEU . 17020 1 64 . THR . 17020 1 65 . VAL . 17020 1 66 . GLN . 17020 1 67 . GLU . 17020 1 68 . SER . 17020 1 69 . ARG . 17020 1 70 . ASN . 17020 1 71 . GLY . 17020 1 72 . SER . 17020 1 73 . LYS . 17020 1 74 . LEU . 17020 1 75 . HIS . 17020 1 76 . SER . 17020 1 77 . GLU . 17020 1 78 . ILE . 17020 1 79 . ARG . 17020 1 80 . LEU . 17020 1 81 . ARG . 17020 1 82 . HIS . 17020 1 83 . ASP . 17020 1 84 . GLY . 17020 1 85 . LEU . 17020 1 86 . GLU . 17020 1 87 . HIS . 17020 1 88 . HIS . 17020 1 89 . HIS . 17020 1 90 . HIS . 17020 1 91 . HIS . 17020 1 92 . HIS . 17020 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 17020 1 . PRO 2 2 17020 1 . HIS 3 3 17020 1 . LYS 4 4 17020 1 . GLU 5 5 17020 1 . LYS 6 6 17020 1 . HIS 7 7 17020 1 . PRO 8 8 17020 1 . LEU 9 9 17020 1 . GLN 10 10 17020 1 . ASP 11 11 17020 1 . MET 12 12 17020 1 . PHE 13 13 17020 1 . THR 14 14 17020 1 . SER 15 15 17020 1 . ALA 16 16 17020 1 . ILE 17 17 17020 1 . GLU 18 18 17020 1 . ALA 19 19 17020 1 . VAL 20 20 17020 1 . ALA 21 21 17020 1 . ARG 22 22 17020 1 . ASP 23 23 17020 1 . SER 24 24 17020 1 . GLY 25 25 17020 1 . TRP 26 26 17020 1 . ALA 27 27 17020 1 . GLU 28 28 17020 1 . LEU 29 29 17020 1 . SER 30 30 17020 1 . ALA 31 31 17020 1 . VAL 32 32 17020 1 . GLY 33 33 17020 1 . SER 34 34 17020 1 . TYR 35 35 17020 1 . LEU 36 36 17020 1 . ALA 37 37 17020 1 . LYS 38 38 17020 1 . ASN 39 39 17020 1 . ASP 40 40 17020 1 . PRO 41 41 17020 1 . SER 42 42 17020 1 . PHE 43 43 17020 1 . ASP 44 44 17020 1 . PRO 45 45 17020 1 . ARG 46 46 17020 1 . ASN 47 47 17020 1 . TRP 48 48 17020 1 . GLY 49 49 17020 1 . HIS 50 50 17020 1 . GLY 51 51 17020 1 . ARG 52 52 17020 1 . LEU 53 53 17020 1 . SER 54 54 17020 1 . GLN 55 55 17020 1 . MET 56 56 17020 1 . VAL 57 57 17020 1 . LYS 58 58 17020 1 . LYS 59 59 17020 1 . LEU 60 60 17020 1 . ASP 61 61 17020 1 . PHE 62 62 17020 1 . LEU 63 63 17020 1 . THR 64 64 17020 1 . VAL 65 65 17020 1 . GLN 66 66 17020 1 . GLU 67 67 17020 1 . SER 68 68 17020 1 . ARG 69 69 17020 1 . ASN 70 70 17020 1 . GLY 71 71 17020 1 . SER 72 72 17020 1 . LYS 73 73 17020 1 . LEU 74 74 17020 1 . HIS 75 75 17020 1 . SER 76 76 17020 1 . GLU 77 77 17020 1 . ILE 78 78 17020 1 . ARG 79 79 17020 1 . LEU 80 80 17020 1 . ARG 81 81 17020 1 . HIS 82 82 17020 1 . ASP 83 83 17020 1 . GLY 84 84 17020 1 . LEU 85 85 17020 1 . GLU 86 86 17020 1 . HIS 87 87 17020 1 . HIS 88 88 17020 1 . HIS 89 89 17020 1 . HIS 90 90 17020 1 . HIS 91 91 17020 1 . HIS 92 92 17020 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 17020 _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 $CV_0373(175-257)_protein . 536 organism . 'Chromobacterium violaceum' 'Chromobacterium violaceum' . . Bacteria . Chromobacterium violaceum . . . . . . . . . . . . . . . . CV_0373 . Residues(175-257) . . 17020 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 17020 _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 $CV_0373(175-257)_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK' . . . . . . . . . . . . . . . 'pET 21-23C' . . . 'C-tag: LEHHHHHH' . . 17020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 17020 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CV_0373(175-257) protein' '[U-100% 13C; U-100% 15N]' . . 1 $CV_0373(175-257)_protein . . 0.9 . . mM 0.09 . . . 17020 1 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17020 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17020 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17020 1 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17020 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17020 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 17020 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'CV_0373(175-257) protein' '[U-5% 13C; U-100% 15N]' . . 1 $CV_0373(175-257)_protein . . 0.82 . . mM 0.08 . . . 17020 2 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17020 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17020 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17020 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17020 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17020 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 17020 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'CV_0373(175-257) protein' '[U-100% 13C; U-100% 15N]' . . 1 $CV_0373(175-257)_protein . . 0.9 . . mM 0.09 . . . 17020 3 2 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 17020 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17020 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.2 . . . 17020 3 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17020 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17020 3 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 17020 _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' 0.2 0.02 M 17020 1 pH 4.5 0.1 pH 17020 1 pressure 1 . atm 17020 1 temperature 298 1 K 17020 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17020 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17020 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17020 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17020 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17020 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17020 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17020 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17020 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17020 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17020 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17020 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17020 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17020 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17020 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17020 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17020 _Software.ID 6 _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' . . 17020 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17020 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17020 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17020 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17020 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17020 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17020 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17020 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17020 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17020 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17020 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 17020 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 17020 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17020 10 stop_ save_ save_PINE_Server _Software.Sf_category software _Software.Sf_framecode PINE_Server _Software.Entry_ID 17020 _Software.ID 11 _Software.Name PINE _Software.Version 1.0 _Software.Details 'autoassignment server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, A., Assadi, A., Markley, J. L. & Eghbalnia, H.' . . 17020 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID autoassignment 17020 11 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17020 _Software.ID 12 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17020 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17020 12 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_600 _NMR_spectrometer.Entry_ID 17020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_850 _NMR_spectrometer.Entry_ID 17020 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 17020 _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_600 Varian INOVA . 600 . . . 17020 1 2 spectrometer_850 Bruker AvanceIII . 850 . . . 17020 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 17020 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 17020 1 2 '2D 1H-13C HSQC_CT' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 17020 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 17020 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_850 . . . . . . . . . . . . . . . . 17020 1 5 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 6 '3D HNCA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 7 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 15 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 16 '4D CC NOESY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 1 17 '2D 1H-15N HSQC_swN150ppm' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_600 . . . . . . . . . . . . . . . . 17020 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 17020 _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 . . . . . . . . . 17020 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17020 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17020 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 17020 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17020 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 7 $SPARKY . . 17020 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 17020 1 2 . 1 1 1 1 MET HE2 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 17020 1 3 . 1 1 1 1 MET HE3 H 1 1.99 0.02 . 1 . . . . 1 MET HE . 17020 1 4 . 1 1 1 1 MET CE C 13 18.4 0.2 . 1 . . . . 1 MET CE . 17020 1 5 . 1 1 2 2 PRO HA H 1 4.39 0.02 . 1 . . . . 2 PRO HA . 17020 1 6 . 1 1 2 2 PRO HB2 H 1 2.44 0.02 . 2 . . . . 2 PRO HB2 . 17020 1 7 . 1 1 2 2 PRO HB3 H 1 2.00 0.02 . 2 . . . . 2 PRO HB3 . 17020 1 8 . 1 1 2 2 PRO HD2 H 1 3.43 0.02 . 2 . . . . 2 PRO HD2 . 17020 1 9 . 1 1 2 2 PRO HD3 H 1 3.39 0.02 . 2 . . . . 2 PRO HD3 . 17020 1 10 . 1 1 2 2 PRO HG2 H 1 2.06 0.02 . 2 . . . . 2 PRO HG2 . 17020 1 11 . 1 1 2 2 PRO HG3 H 1 2.01 0.02 . 2 . . . . 2 PRO HG3 . 17020 1 12 . 1 1 2 2 PRO CA C 13 62.5 0.2 . 1 . . . . 2 PRO CA . 17020 1 13 . 1 1 2 2 PRO CB C 13 32.6 0.2 . 1 . . . . 2 PRO CB . 17020 1 14 . 1 1 2 2 PRO CD C 13 49.4 0.2 . 1 . . . . 2 PRO CD . 17020 1 15 . 1 1 2 2 PRO CG C 13 26.5 0.2 . 1 . . . . 2 PRO CG . 17020 1 16 . 1 1 3 3 HIS HA H 1 4.73 0.02 . 1 . . . . 3 HIS HA . 17020 1 17 . 1 1 3 3 HIS HB2 H 1 3.23 0.02 . 2 . . . . 3 HIS HB2 . 17020 1 18 . 1 1 3 3 HIS HB3 H 1 3.23 0.02 . 2 . . . . 3 HIS HB3 . 17020 1 19 . 1 1 3 3 HIS C C 13 173.9 0.2 . 1 . . . . 3 HIS C . 17020 1 20 . 1 1 3 3 HIS CA C 13 55.7 0.2 . 1 . . . . 3 HIS CA . 17020 1 21 . 1 1 3 3 HIS CB C 13 29.2 0.2 . 1 . . . . 3 HIS CB . 17020 1 22 . 1 1 4 4 LYS H H 1 8.53 0.02 . 1 . . . . 4 LYS H . 17020 1 23 . 1 1 4 4 LYS HA H 1 4.31 0.02 . 1 . . . . 4 LYS HA . 17020 1 24 . 1 1 4 4 LYS HB2 H 1 1.78 0.02 . 2 . . . . 4 LYS HB2 . 17020 1 25 . 1 1 4 4 LYS HB3 H 1 1.71 0.02 . 2 . . . . 4 LYS HB3 . 17020 1 26 . 1 1 4 4 LYS HD2 H 1 1.68 0.02 . 2 . . . . 4 LYS HD2 . 17020 1 27 . 1 1 4 4 LYS HD3 H 1 1.68 0.02 . 2 . . . . 4 LYS HD3 . 17020 1 28 . 1 1 4 4 LYS HE2 H 1 2.99 0.02 . 2 . . . . 4 LYS HE2 . 17020 1 29 . 1 1 4 4 LYS HE3 H 1 2.99 0.02 . 2 . . . . 4 LYS HE3 . 17020 1 30 . 1 1 4 4 LYS HG2 H 1 1.41 0.02 . 2 . . . . 4 LYS HG2 . 17020 1 31 . 1 1 4 4 LYS HG3 H 1 1.41 0.02 . 2 . . . . 4 LYS HG3 . 17020 1 32 . 1 1 4 4 LYS C C 13 176.1 0.2 . 1 . . . . 4 LYS C . 17020 1 33 . 1 1 4 4 LYS CA C 13 56.4 0.2 . 1 . . . . 4 LYS CA . 17020 1 34 . 1 1 4 4 LYS CB C 13 33.2 0.2 . 1 . . . . 4 LYS CB . 17020 1 35 . 1 1 4 4 LYS CD C 13 29.1 0.2 . 1 . . . . 4 LYS CD . 17020 1 36 . 1 1 4 4 LYS CE C 13 42 0.2 . 1 . . . . 4 LYS CE . 17020 1 37 . 1 1 4 4 LYS CG C 13 24.8 0.2 . 1 . . . . 4 LYS CG . 17020 1 38 . 1 1 4 4 LYS N N 15 124.2 0.2 . 1 . . . . 4 LYS N . 17020 1 39 . 1 1 5 5 GLU H H 1 8.58 0.02 . 1 . . . . 5 GLU H . 17020 1 40 . 1 1 5 5 GLU HA H 1 4.3 0.02 . 1 . . . . 5 GLU HA . 17020 1 41 . 1 1 5 5 GLU HB2 H 1 2.01 0.02 . 2 . . . . 5 GLU HB2 . 17020 1 42 . 1 1 5 5 GLU HB3 H 1 1.9 0.02 . 2 . . . . 5 GLU HB3 . 17020 1 43 . 1 1 5 5 GLU HG2 H 1 2.3 0.02 . 2 . . . . 5 GLU HG2 . 17020 1 44 . 1 1 5 5 GLU HG3 H 1 2.3 0.02 . 2 . . . . 5 GLU HG3 . 17020 1 45 . 1 1 5 5 GLU C C 13 176.0 0.2 . 1 . . . . 5 GLU C . 17020 1 46 . 1 1 5 5 GLU CA C 13 56.2 0.2 . 1 . . . . 5 GLU CA . 17020 1 47 . 1 1 5 5 GLU CB C 13 30.4 0.2 . 1 . . . . 5 GLU CB . 17020 1 48 . 1 1 5 5 GLU CG C 13 35.6 0.2 . 1 . . . . 5 GLU CG . 17020 1 49 . 1 1 5 5 GLU N N 15 123.3 0.2 . 1 . . . . 5 GLU N . 17020 1 50 . 1 1 6 6 LYS H H 1 8.43 0.02 . 1 . . . . 6 LYS H . 17020 1 51 . 1 1 6 6 LYS HA H 1 4.22 0.02 . 1 . . . . 6 LYS HA . 17020 1 52 . 1 1 6 6 LYS HB2 H 1 1.67 0.02 . 2 . . . . 6 LYS HB2 . 17020 1 53 . 1 1 6 6 LYS HB3 H 1 1.67 0.02 . 2 . . . . 6 LYS HB3 . 17020 1 54 . 1 1 6 6 LYS HD2 H 1 1.63 0.02 . 2 . . . . 6 LYS HD2 . 17020 1 55 . 1 1 6 6 LYS HD3 H 1 1.63 0.02 . 2 . . . . 6 LYS HD3 . 17020 1 56 . 1 1 6 6 LYS HE2 H 1 2.92 0.02 . 2 . . . . 6 LYS HE2 . 17020 1 57 . 1 1 6 6 LYS HE3 H 1 2.92 0.02 . 2 . . . . 6 LYS HE3 . 17020 1 58 . 1 1 6 6 LYS HG2 H 1 1.39 0.02 . 2 . . . . 6 LYS HG2 . 17020 1 59 . 1 1 6 6 LYS HG3 H 1 1.32 0.02 . 2 . . . . 6 LYS HG3 . 17020 1 60 . 1 1 6 6 LYS C C 13 176.1 0.2 . 1 . . . . 6 LYS C . 17020 1 61 . 1 1 6 6 LYS CA C 13 56.4 0.2 . 1 . . . . 6 LYS CA . 17020 1 62 . 1 1 6 6 LYS CB C 13 33.5 0.2 . 1 . . . . 6 LYS CB . 17020 1 63 . 1 1 6 6 LYS CD C 13 29.4 0.2 . 1 . . . . 6 LYS CD . 17020 1 64 . 1 1 6 6 LYS CE C 13 41.9 0.2 . 1 . . . . 6 LYS CE . 17020 1 65 . 1 1 6 6 LYS CG C 13 24.9 0.2 . 1 . . . . 6 LYS CG . 17020 1 66 . 1 1 6 6 LYS N N 15 122.9 0.2 . 1 . . . . 6 LYS N . 17020 1 67 . 1 1 7 7 HIS H H 1 8.76 0.02 . 1 . . . . 7 HIS H . 17020 1 68 . 1 1 7 7 HIS HA H 1 4.97 0.02 . 1 . . . . 7 HIS HA . 17020 1 69 . 1 1 7 7 HIS HB2 H 1 3.25 0.02 . 2 . . . . 7 HIS HB2 . 17020 1 70 . 1 1 7 7 HIS HB3 H 1 3.11 0.02 . 2 . . . . 7 HIS HB3 . 17020 1 71 . 1 1 7 7 HIS CA C 13 54.3 0.2 . 1 . . . . 7 HIS CA . 17020 1 72 . 1 1 7 7 HIS CB C 13 30.0 0.2 . 1 . . . . 7 HIS CB . 17020 1 73 . 1 1 7 7 HIS N N 15 121.5 0.2 . 1 . . . . 7 HIS N . 17020 1 74 . 1 1 8 8 PRO HA H 1 4.43 0.02 . 1 . . . . 8 PRO HA . 17020 1 75 . 1 1 8 8 PRO HB2 H 1 2.45 0.02 . 2 . . . . 8 PRO HB2 . 17020 1 76 . 1 1 8 8 PRO HB3 H 1 2.03 0.02 . 2 . . . . 8 PRO HB3 . 17020 1 77 . 1 1 8 8 PRO HD2 H 1 3.63 0.02 . 2 . . . . 8 PRO HD2 . 17020 1 78 . 1 1 8 8 PRO HD3 H 1 3.38 0.02 . 2 . . . . 8 PRO HD3 . 17020 1 79 . 1 1 8 8 PRO HG2 H 1 2.08 0.02 . 2 . . . . 8 PRO HG2 . 17020 1 80 . 1 1 8 8 PRO HG3 H 1 2.08 0.02 . 2 . . . . 8 PRO HG3 . 17020 1 81 . 1 1 8 8 PRO CA C 13 64.9 0.2 . 1 . . . . 8 PRO CA . 17020 1 82 . 1 1 8 8 PRO CB C 13 32.3 0.2 . 1 . . . . 8 PRO CB . 17020 1 83 . 1 1 8 8 PRO CD C 13 50.8 0.2 . 1 . . . . 8 PRO CD . 17020 1 84 . 1 1 8 8 PRO CG C 13 27.8 0.2 . 1 . . . . 8 PRO CG . 17020 1 85 . 1 1 9 9 LEU H H 1 9.38 0.02 . 1 . . . . 9 LEU H . 17020 1 86 . 1 1 9 9 LEU HA H 1 4.39 0.02 . 1 . . . . 9 LEU HA . 17020 1 87 . 1 1 9 9 LEU HB2 H 1 1.96 0.02 . 2 . . . . 9 LEU HB2 . 17020 1 88 . 1 1 9 9 LEU HB3 H 1 1.75 0.02 . 2 . . . . 9 LEU HB3 . 17020 1 89 . 1 1 9 9 LEU HD11 H 1 0.74 0.02 . 2 . . . . 9 LEU HD1 . 17020 1 90 . 1 1 9 9 LEU HD12 H 1 0.74 0.02 . 2 . . . . 9 LEU HD1 . 17020 1 91 . 1 1 9 9 LEU HD13 H 1 0.74 0.02 . 2 . . . . 9 LEU HD1 . 17020 1 92 . 1 1 9 9 LEU HD21 H 1 0.86 0.02 . 2 . . . . 9 LEU HD2 . 17020 1 93 . 1 1 9 9 LEU HD22 H 1 0.86 0.02 . 2 . . . . 9 LEU HD2 . 17020 1 94 . 1 1 9 9 LEU HD23 H 1 0.86 0.02 . 2 . . . . 9 LEU HD2 . 17020 1 95 . 1 1 9 9 LEU HG H 1 1.64 0.02 . 1 . . . . 9 LEU HG . 17020 1 96 . 1 1 9 9 LEU C C 13 178.3 0.2 . 1 . . . . 9 LEU C . 17020 1 97 . 1 1 9 9 LEU CA C 13 56.9 0.2 . 1 . . . . 9 LEU CA . 17020 1 98 . 1 1 9 9 LEU CB C 13 42.2 0.2 . 1 . . . . 9 LEU CB . 17020 1 99 . 1 1 9 9 LEU CD1 C 13 25.5 0.2 . 2 . . . . 9 LEU CD1 . 17020 1 100 . 1 1 9 9 LEU CD2 C 13 23.7 0.2 . 2 . . . . 9 LEU CD2 . 17020 1 101 . 1 1 9 9 LEU CG C 13 27.2 0.2 . 1 . . . . 9 LEU CG . 17020 1 102 . 1 1 9 9 LEU N N 15 125.5 0.2 . 1 . . . . 9 LEU N . 17020 1 103 . 1 1 10 10 GLN H H 1 8.28 0.02 . 1 . . . . 10 GLN H . 17020 1 104 . 1 1 10 10 GLN HA H 1 3.22 0.02 . 1 . . . . 10 GLN HA . 17020 1 105 . 1 1 10 10 GLN HB2 H 1 1.70 0.02 . 2 . . . . 10 GLN HB2 . 17020 1 106 . 1 1 10 10 GLN HB3 H 1 1.64 0.02 . 2 . . . . 10 GLN HB3 . 17020 1 107 . 1 1 10 10 GLN HE21 H 1 7.39 0.02 . 2 . . . . 10 GLN HE21 . 17020 1 108 . 1 1 10 10 GLN HE22 H 1 6.71 0.02 . 2 . . . . 10 GLN HE22 . 17020 1 109 . 1 1 10 10 GLN HG2 H 1 1.82 0.02 . 2 . . . . 10 GLN HG2 . 17020 1 110 . 1 1 10 10 GLN HG3 H 1 1.82 0.02 . 2 . . . . 10 GLN HG3 . 17020 1 111 . 1 1 10 10 GLN C C 13 179.2 0.2 . 1 . . . . 10 GLN C . 17020 1 112 . 1 1 10 10 GLN CA C 13 60.0 0.2 . 1 . . . . 10 GLN CA . 17020 1 113 . 1 1 10 10 GLN CB C 13 27.8 0.2 . 1 . . . . 10 GLN CB . 17020 1 114 . 1 1 10 10 GLN CG C 13 32.6 0.2 . 1 . . . . 10 GLN CG . 17020 1 115 . 1 1 10 10 GLN N N 15 120.6 0.2 . 1 . . . . 10 GLN N . 17020 1 116 . 1 1 10 10 GLN NE2 N 15 110.2 0.2 . 1 . . . . 10 GLN NE2 . 17020 1 117 . 1 1 11 11 ASP H H 1 8.53 0.02 . 1 . . . . 11 ASP H . 17020 1 118 . 1 1 11 11 ASP HA H 1 4.32 0.02 . 1 . . . . 11 ASP HA . 17020 1 119 . 1 1 11 11 ASP HB2 H 1 2.72 0.02 . 2 . . . . 11 ASP HB2 . 17020 1 120 . 1 1 11 11 ASP HB3 H 1 2.72 0.02 . 2 . . . . 11 ASP HB3 . 17020 1 121 . 1 1 11 11 ASP C C 13 178.2 0.2 . 1 . . . . 11 ASP C . 17020 1 122 . 1 1 11 11 ASP CA C 13 57.9 0.2 . 1 . . . . 11 ASP CA . 17020 1 123 . 1 1 11 11 ASP CB C 13 39.6 0.2 . 1 . . . . 11 ASP CB . 17020 1 124 . 1 1 11 11 ASP N N 15 122.9 0.2 . 1 . . . . 11 ASP N . 17020 1 125 . 1 1 12 12 MET H H 1 8.19 0.02 . 1 . . . . 12 MET H . 17020 1 126 . 1 1 12 12 MET HA H 1 4.14 0.02 . 1 . . . . 12 MET HA . 17020 1 127 . 1 1 12 12 MET HB2 H 1 2.1 0.02 . 2 . . . . 12 MET HB2 . 17020 1 128 . 1 1 12 12 MET HB3 H 1 1.92 0.02 . 2 . . . . 12 MET HB3 . 17020 1 129 . 1 1 12 12 MET HE1 H 1 1.49 0.02 . 1 . . . . 12 MET HE . 17020 1 130 . 1 1 12 12 MET HE2 H 1 1.49 0.02 . 1 . . . . 12 MET HE . 17020 1 131 . 1 1 12 12 MET HE3 H 1 1.49 0.02 . 1 . . . . 12 MET HE . 17020 1 132 . 1 1 12 12 MET HG2 H 1 2.4 0.02 . 2 . . . . 12 MET HG2 . 17020 1 133 . 1 1 12 12 MET HG3 H 1 2.09 0.02 . 2 . . . . 12 MET HG3 . 17020 1 134 . 1 1 12 12 MET C C 13 179.0 0.2 . 1 . . . . 12 MET C . 17020 1 135 . 1 1 12 12 MET CA C 13 59.0 0.2 . 1 . . . . 12 MET CA . 17020 1 136 . 1 1 12 12 MET CB C 13 32.6 0.2 . 1 . . . . 12 MET CB . 17020 1 137 . 1 1 12 12 MET CE C 13 16.8 0.2 . 1 . . . . 12 MET CE . 17020 1 138 . 1 1 12 12 MET CG C 13 31.7 0.2 . 1 . . . . 12 MET CG . 17020 1 139 . 1 1 12 12 MET N N 15 120.8 0.2 . 1 . . . . 12 MET N . 17020 1 140 . 1 1 13 13 PHE H H 1 8.37 0.02 . 1 . . . . 13 PHE H . 17020 1 141 . 1 1 13 13 PHE HA H 1 3.89 0.02 . 1 . . . . 13 PHE HA . 17020 1 142 . 1 1 13 13 PHE HB2 H 1 3.26 0.02 . 2 . . . . 13 PHE HB2 . 17020 1 143 . 1 1 13 13 PHE HB3 H 1 2.89 0.02 . 2 . . . . 13 PHE HB3 . 17020 1 144 . 1 1 13 13 PHE HD1 H 1 7.23 0.02 . 3 . . . . 13 PHE HD1 . 17020 1 145 . 1 1 13 13 PHE HD2 H 1 7.23 0.02 . 3 . . . . 13 PHE HD2 . 17020 1 146 . 1 1 13 13 PHE HE1 H 1 7.10 0.02 . 3 . . . . 13 PHE HE1 . 17020 1 147 . 1 1 13 13 PHE HE2 H 1 7.10 0.02 . 3 . . . . 13 PHE HE2 . 17020 1 148 . 1 1 13 13 PHE C C 13 177.7 0.2 . 1 . . . . 13 PHE C . 17020 1 149 . 1 1 13 13 PHE CA C 13 63.7 0.2 . 1 . . . . 13 PHE CA . 17020 1 150 . 1 1 13 13 PHE CB C 13 39.8 0.2 . 1 . . . . 13 PHE CB . 17020 1 151 . 1 1 13 13 PHE CD1 C 13 130.6 0.2 . 3 . . . . 13 PHE CD1 . 17020 1 152 . 1 1 13 13 PHE CD2 C 13 130.6 0.2 . 3 . . . . 13 PHE CD2 . 17020 1 153 . 1 1 13 13 PHE CE1 C 13 131.7 0.2 . 3 . . . . 13 PHE CE1 . 17020 1 154 . 1 1 13 13 PHE CE2 C 13 131.7 0.2 . 3 . . . . 13 PHE CE2 . 17020 1 155 . 1 1 13 13 PHE N N 15 116.3 0.2 . 1 . . . . 13 PHE N . 17020 1 156 . 1 1 14 14 THR H H 1 8.45 0.02 . 1 . . . . 14 THR H . 17020 1 157 . 1 1 14 14 THR HA H 1 4.36 0.02 . 1 . . . . 14 THR HA . 17020 1 158 . 1 1 14 14 THR HB H 1 3.86 0.02 . 1 . . . . 14 THR HB . 17020 1 159 . 1 1 14 14 THR HG21 H 1 1.19 0.02 . 1 . . . . 14 THR HG2 . 17020 1 160 . 1 1 14 14 THR HG22 H 1 1.19 0.02 . 1 . . . . 14 THR HG2 . 17020 1 161 . 1 1 14 14 THR HG23 H 1 1.19 0.02 . 1 . . . . 14 THR HG2 . 17020 1 162 . 1 1 14 14 THR C C 13 175.5 0.2 . 1 . . . . 14 THR C . 17020 1 163 . 1 1 14 14 THR CA C 13 68.5 0.2 . 1 . . . . 14 THR CA . 17020 1 164 . 1 1 14 14 THR CB C 13 68.4 0.2 . 1 . . . . 14 THR CB . 17020 1 165 . 1 1 14 14 THR CG2 C 13 20.7 0.2 . 1 . . . . 14 THR CG2 . 17020 1 166 . 1 1 14 14 THR N N 15 116.9 0.2 . 1 . . . . 14 THR N . 17020 1 167 . 1 1 15 15 SER H H 1 7.94 0.02 . 1 . . . . 15 SER H . 17020 1 168 . 1 1 15 15 SER HA H 1 4.08 0.02 . 1 . . . . 15 SER HA . 17020 1 169 . 1 1 15 15 SER HB2 H 1 3.93 0.02 . 2 . . . . 15 SER HB2 . 17020 1 170 . 1 1 15 15 SER HB3 H 1 3.93 0.02 . 2 . . . . 15 SER HB3 . 17020 1 171 . 1 1 15 15 SER HG H 1 6.69 0.02 . 1 . . . . 15 SER HG . 17020 1 172 . 1 1 15 15 SER C C 13 176.0 0.2 . 1 . . . . 15 SER C . 17020 1 173 . 1 1 15 15 SER CA C 13 62.1 0.2 . 1 . . . . 15 SER CA . 17020 1 174 . 1 1 15 15 SER CB C 13 62.8 0.2 . 1 . . . . 15 SER CB . 17020 1 175 . 1 1 15 15 SER N N 15 116.3 0.2 . 1 . . . . 15 SER N . 17020 1 176 . 1 1 16 16 ALA H H 1 7.48 0.02 . 1 . . . . 16 ALA H . 17020 1 177 . 1 1 16 16 ALA HA H 1 2.78 0.02 . 1 . . . . 16 ALA HA . 17020 1 178 . 1 1 16 16 ALA HB1 H 1 1.21 0.02 . 1 . . . . 16 ALA HB . 17020 1 179 . 1 1 16 16 ALA HB2 H 1 1.21 0.02 . 1 . . . . 16 ALA HB . 17020 1 180 . 1 1 16 16 ALA HB3 H 1 1.21 0.02 . 1 . . . . 16 ALA HB . 17020 1 181 . 1 1 16 16 ALA C C 13 178.0 0.2 . 1 . . . . 16 ALA C . 17020 1 182 . 1 1 16 16 ALA CA C 13 54.4 0.2 . 1 . . . . 16 ALA CA . 17020 1 183 . 1 1 16 16 ALA CB C 13 20.2 0.2 . 1 . . . . 16 ALA CB . 17020 1 184 . 1 1 16 16 ALA N N 15 122.9 0.2 . 1 . . . . 16 ALA N . 17020 1 185 . 1 1 17 17 ILE H H 1 8.40 0.02 . 1 . . . . 17 ILE H . 17020 1 186 . 1 1 17 17 ILE HA H 1 3.22 0.02 . 1 . . . . 17 ILE HA . 17020 1 187 . 1 1 17 17 ILE HB H 1 1.83 0.02 . 1 . . . . 17 ILE HB . 17020 1 188 . 1 1 17 17 ILE HD11 H 1 0.8 0.02 . 1 . . . . 17 ILE HD1 . 17020 1 189 . 1 1 17 17 ILE HD12 H 1 0.8 0.02 . 1 . . . . 17 ILE HD1 . 17020 1 190 . 1 1 17 17 ILE HD13 H 1 0.8 0.02 . 1 . . . . 17 ILE HD1 . 17020 1 191 . 1 1 17 17 ILE HG12 H 1 0.72 0.02 . 2 . . . . 17 ILE HG12 . 17020 1 192 . 1 1 17 17 ILE HG13 H 1 0.72 0.02 . 2 . . . . 17 ILE HG13 . 17020 1 193 . 1 1 17 17 ILE HG21 H 1 0.92 0.02 . 1 . . . . 17 ILE HG2 . 17020 1 194 . 1 1 17 17 ILE HG22 H 1 0.92 0.02 . 1 . . . . 17 ILE HG2 . 17020 1 195 . 1 1 17 17 ILE HG23 H 1 0.92 0.02 . 1 . . . . 17 ILE HG2 . 17020 1 196 . 1 1 17 17 ILE C C 13 177.5 0.2 . 1 . . . . 17 ILE C . 17020 1 197 . 1 1 17 17 ILE CA C 13 66.0 0.2 . 1 . . . . 17 ILE CA . 17020 1 198 . 1 1 17 17 ILE CB C 13 38.5 0.2 . 1 . . . . 17 ILE CB . 17020 1 199 . 1 1 17 17 ILE CD1 C 13 14.8 0.2 . 1 . . . . 17 ILE CD1 . 17020 1 200 . 1 1 17 17 ILE CG1 C 13 31.2 0.2 . 1 . . . . 17 ILE CG1 . 17020 1 201 . 1 1 17 17 ILE CG2 C 13 17.5 0.2 . 1 . . . . 17 ILE CG2 . 17020 1 202 . 1 1 17 17 ILE N N 15 116.8 0.2 . 1 . . . . 17 ILE N . 17020 1 203 . 1 1 18 18 GLU H H 1 8.14 0.02 . 1 . . . . 18 GLU H . 17020 1 204 . 1 1 18 18 GLU HA H 1 3.93 0.02 . 1 . . . . 18 GLU HA . 17020 1 205 . 1 1 18 18 GLU HB2 H 1 2.05 0.02 . 2 . . . . 18 GLU HB2 . 17020 1 206 . 1 1 18 18 GLU HB3 H 1 1.95 0.02 . 2 . . . . 18 GLU HB3 . 17020 1 207 . 1 1 18 18 GLU HG2 H 1 2.56 0.02 . 2 . . . . 18 GLU HG2 . 17020 1 208 . 1 1 18 18 GLU HG3 H 1 2.33 0.02 . 2 . . . . 18 GLU HG3 . 17020 1 209 . 1 1 18 18 GLU C C 13 178.5 0.2 . 1 . . . . 18 GLU C . 17020 1 210 . 1 1 18 18 GLU CA C 13 59.0 0.2 . 1 . . . . 18 GLU CA . 17020 1 211 . 1 1 18 18 GLU CB C 13 28.5 0.2 . 1 . . . . 18 GLU CB . 17020 1 212 . 1 1 18 18 GLU CG C 13 35.5 0.2 . 1 . . . . 18 GLU CG . 17020 1 213 . 1 1 18 18 GLU N N 15 116.0 0.2 . 1 . . . . 18 GLU N . 17020 1 214 . 1 1 19 19 ALA H H 1 7.30 0.02 . 1 . . . . 19 ALA H . 17020 1 215 . 1 1 19 19 ALA HA H 1 4.17 0.02 . 1 . . . . 19 ALA HA . 17020 1 216 . 1 1 19 19 ALA HB1 H 1 1.25 0.02 . 1 . . . . 19 ALA HB . 17020 1 217 . 1 1 19 19 ALA HB2 H 1 1.25 0.02 . 1 . . . . 19 ALA HB . 17020 1 218 . 1 1 19 19 ALA HB3 H 1 1.25 0.02 . 1 . . . . 19 ALA HB . 17020 1 219 . 1 1 19 19 ALA C C 13 180.0 0.2 . 1 . . . . 19 ALA C . 17020 1 220 . 1 1 19 19 ALA CA C 13 54.7 0.2 . 1 . . . . 19 ALA CA . 17020 1 221 . 1 1 19 19 ALA CB C 13 20.0 0.2 . 1 . . . . 19 ALA CB . 17020 1 222 . 1 1 19 19 ALA N N 15 118.5 0.2 . 1 . . . . 19 ALA N . 17020 1 223 . 1 1 20 20 VAL H H 1 7.43 0.02 . 1 . . . . 20 VAL H . 17020 1 224 . 1 1 20 20 VAL HA H 1 4.64 0.02 . 1 . . . . 20 VAL HA . 17020 1 225 . 1 1 20 20 VAL HB H 1 2.38 0.02 . 1 . . . . 20 VAL HB . 17020 1 226 . 1 1 20 20 VAL HG11 H 1 0.88 0.02 . 1 . . . . 20 VAL HG1 . 17020 1 227 . 1 1 20 20 VAL HG12 H 1 0.88 0.02 . 1 . . . . 20 VAL HG1 . 17020 1 228 . 1 1 20 20 VAL HG13 H 1 0.88 0.02 . 1 . . . . 20 VAL HG1 . 17020 1 229 . 1 1 20 20 VAL HG21 H 1 0.77 0.02 . 1 . . . . 20 VAL HG2 . 17020 1 230 . 1 1 20 20 VAL HG22 H 1 0.77 0.02 . 1 . . . . 20 VAL HG2 . 17020 1 231 . 1 1 20 20 VAL HG23 H 1 0.77 0.02 . 1 . . . . 20 VAL HG2 . 17020 1 232 . 1 1 20 20 VAL C C 13 176.9 0.2 . 1 . . . . 20 VAL C . 17020 1 233 . 1 1 20 20 VAL CA C 13 60.8 0.2 . 1 . . . . 20 VAL CA . 17020 1 234 . 1 1 20 20 VAL CB C 13 32.9 0.2 . 1 . . . . 20 VAL CB . 17020 1 235 . 1 1 20 20 VAL CG1 C 13 21 0.2 . 1 . . . . 20 VAL CG1 . 17020 1 236 . 1 1 20 20 VAL CG2 C 13 19.5 0.2 . 1 . . . . 20 VAL CG2 . 17020 1 237 . 1 1 20 20 VAL N N 15 107.8 0.2 . 1 . . . . 20 VAL N . 17020 1 238 . 1 1 21 21 ALA H H 1 8.47 0.02 . 1 . . . . 21 ALA H . 17020 1 239 . 1 1 21 21 ALA HA H 1 4.17 0.02 . 1 . . . . 21 ALA HA . 17020 1 240 . 1 1 21 21 ALA HB1 H 1 1.3 0.02 . 1 . . . . 21 ALA HB . 17020 1 241 . 1 1 21 21 ALA HB2 H 1 1.3 0.02 . 1 . . . . 21 ALA HB . 17020 1 242 . 1 1 21 21 ALA HB3 H 1 1.3 0.02 . 1 . . . . 21 ALA HB . 17020 1 243 . 1 1 21 21 ALA C C 13 178.5 0.2 . 1 . . . . 21 ALA C . 17020 1 244 . 1 1 21 21 ALA CA C 13 53.6 0.2 . 1 . . . . 21 ALA CA . 17020 1 245 . 1 1 21 21 ALA CB C 13 19.2 0.2 . 1 . . . . 21 ALA CB . 17020 1 246 . 1 1 21 21 ALA N N 15 125.9 0.2 . 1 . . . . 21 ALA N . 17020 1 247 . 1 1 22 22 ARG H H 1 8.14 0.02 . 1 . . . . 22 ARG H . 17020 1 248 . 1 1 22 22 ARG HA H 1 4.57 0.02 . 1 . . . . 22 ARG HA . 17020 1 249 . 1 1 22 22 ARG HB2 H 1 2.26 0.02 . 2 . . . . 22 ARG HB2 . 17020 1 250 . 1 1 22 22 ARG HB3 H 1 2.05 0.02 . 2 . . . . 22 ARG HB3 . 17020 1 251 . 1 1 22 22 ARG HD2 H 1 3.38 0.02 . 2 . . . . 22 ARG HD2 . 17020 1 252 . 1 1 22 22 ARG HD3 H 1 3.31 0.02 . 2 . . . . 22 ARG HD3 . 17020 1 253 . 1 1 22 22 ARG HE H 1 7.32 0.02 . 1 . . . . 22 ARG HE . 17020 1 254 . 1 1 22 22 ARG HG2 H 1 2.03 0.02 . 2 . . . . 22 ARG HG2 . 17020 1 255 . 1 1 22 22 ARG HG3 H 1 1.87 0.02 . 2 . . . . 22 ARG HG3 . 17020 1 256 . 1 1 22 22 ARG C C 13 178.0 0.2 . 1 . . . . 22 ARG C . 17020 1 257 . 1 1 22 22 ARG CA C 13 55.7 0.2 . 1 . . . . 22 ARG CA . 17020 1 258 . 1 1 22 22 ARG CB C 13 31.5 0.2 . 1 . . . . 22 ARG CB . 17020 1 259 . 1 1 22 22 ARG CD C 13 43.6 0.2 . 1 . . . . 22 ARG CD . 17020 1 260 . 1 1 22 22 ARG CG C 13 28.4 0.2 . 1 . . . . 22 ARG CG . 17020 1 261 . 1 1 22 22 ARG N N 15 118.4 0.2 . 1 . . . . 22 ARG N . 17020 1 262 . 1 1 22 22 ARG NE N 15 84.6 0.2 . 1 . . . . 22 ARG NE . 17020 1 263 . 1 1 23 23 ASP H H 1 8.89 0.02 . 1 . . . . 23 ASP H . 17020 1 264 . 1 1 23 23 ASP HA H 1 4.36 0.02 . 1 . . . . 23 ASP HA . 17020 1 265 . 1 1 23 23 ASP HB2 H 1 2.77 0.02 . 2 . . . . 23 ASP HB2 . 17020 1 266 . 1 1 23 23 ASP HB3 H 1 2.77 0.02 . 2 . . . . 23 ASP HB3 . 17020 1 267 . 1 1 23 23 ASP C C 13 176.6 0.2 . 1 . . . . 23 ASP C . 17020 1 268 . 1 1 23 23 ASP CA C 13 57.1 0.2 . 1 . . . . 23 ASP CA . 17020 1 269 . 1 1 23 23 ASP CB C 13 40.1 0.2 . 1 . . . . 23 ASP CB . 17020 1 270 . 1 1 23 23 ASP N N 15 122.0 0.2 . 1 . . . . 23 ASP N . 17020 1 271 . 1 1 24 24 SER H H 1 7.84 0.02 . 1 . . . . 24 SER H . 17020 1 272 . 1 1 24 24 SER HA H 1 4.32 0.02 . 1 . . . . 24 SER HA . 17020 1 273 . 1 1 24 24 SER HB2 H 1 4.26 0.02 . 2 . . . . 24 SER HB2 . 17020 1 274 . 1 1 24 24 SER HB3 H 1 4.09 0.02 . 2 . . . . 24 SER HB3 . 17020 1 275 . 1 1 24 24 SER C C 13 175.5 0.2 . 1 . . . . 24 SER C . 17020 1 276 . 1 1 24 24 SER CA C 13 58.6 0.2 . 1 . . . . 24 SER CA . 17020 1 277 . 1 1 24 24 SER CB C 13 64.0 0.2 . 1 . . . . 24 SER CB . 17020 1 278 . 1 1 24 24 SER N N 15 112.2 0.2 . 1 . . . . 24 SER N . 17020 1 279 . 1 1 25 25 GLY H H 1 8.36 0.02 . 1 . . . . 25 GLY H . 17020 1 280 . 1 1 25 25 GLY HA2 H 1 4.12 0.02 . 2 . . . . 25 GLY HA2 . 17020 1 281 . 1 1 25 25 GLY HA3 H 1 3.48 0.02 . 2 . . . . 25 GLY HA3 . 17020 1 282 . 1 1 25 25 GLY C C 13 172.5 0.2 . 1 . . . . 25 GLY C . 17020 1 283 . 1 1 25 25 GLY CA C 13 45.0 0.2 . 1 . . . . 25 GLY CA . 17020 1 284 . 1 1 25 25 GLY N N 15 110.8 0.2 . 1 . . . . 25 GLY N . 17020 1 285 . 1 1 26 26 TRP H H 1 7.38 0.02 . 1 . . . . 26 TRP H . 17020 1 286 . 1 1 26 26 TRP HA H 1 4.64 0.02 . 1 . . . . 26 TRP HA . 17020 1 287 . 1 1 26 26 TRP HB2 H 1 3.06 0.02 . 2 . . . . 26 TRP HB2 . 17020 1 288 . 1 1 26 26 TRP HB3 H 1 2.85 0.02 . 2 . . . . 26 TRP HB3 . 17020 1 289 . 1 1 26 26 TRP HD1 H 1 7.09 0.02 . 1 . . . . 26 TRP HD1 . 17020 1 290 . 1 1 26 26 TRP HE1 H 1 10.11 0.02 . 1 . . . . 26 TRP HE1 . 17020 1 291 . 1 1 26 26 TRP HH2 H 1 6.88 0.02 . 1 . . . . 26 TRP HH2 . 17020 1 292 . 1 1 26 26 TRP HZ2 H 1 7.37 0.02 . 1 . . . . 26 TRP HZ2 . 17020 1 293 . 1 1 26 26 TRP HZ3 H 1 6.89 0.02 . 1 . . . . 26 TRP HZ3 . 17020 1 294 . 1 1 26 26 TRP C C 13 175.5 0.2 . 1 . . . . 26 TRP C . 17020 1 295 . 1 1 26 26 TRP CA C 13 57.0 0.2 . 1 . . . . 26 TRP CA . 17020 1 296 . 1 1 26 26 TRP CB C 13 31.3 0.2 . 1 . . . . 26 TRP CB . 17020 1 297 . 1 1 26 26 TRP CD1 C 13 127.7 0.2 . 1 . . . . 26 TRP CD1 . 17020 1 298 . 1 1 26 26 TRP CH2 C 13 124.5 0.2 . 1 . . . . 26 TRP CH2 . 17020 1 299 . 1 1 26 26 TRP CZ2 C 13 115.5 0.2 . 1 . . . . 26 TRP CZ2 . 17020 1 300 . 1 1 26 26 TRP CZ3 C 13 122.9 0.2 . 1 . . . . 26 TRP CZ3 . 17020 1 301 . 1 1 26 26 TRP N N 15 118.1 0.2 . 1 . . . . 26 TRP N . 17020 1 302 . 1 1 26 26 TRP NE1 N 15 129 0.2 . 1 . . . . 26 TRP NE1 . 17020 1 303 . 1 1 27 27 ALA H H 1 9.80 0.02 . 1 . . . . 27 ALA H . 17020 1 304 . 1 1 27 27 ALA HA H 1 4.97 0.02 . 1 . . . . 27 ALA HA . 17020 1 305 . 1 1 27 27 ALA HB1 H 1 1.26 0.02 . 1 . . . . 27 ALA HB . 17020 1 306 . 1 1 27 27 ALA HB2 H 1 1.26 0.02 . 1 . . . . 27 ALA HB . 17020 1 307 . 1 1 27 27 ALA HB3 H 1 1.26 0.02 . 1 . . . . 27 ALA HB . 17020 1 308 . 1 1 27 27 ALA C C 13 176.2 0.2 . 1 . . . . 27 ALA C . 17020 1 309 . 1 1 27 27 ALA CA C 13 49.6 0.2 . 1 . . . . 27 ALA CA . 17020 1 310 . 1 1 27 27 ALA CB C 13 22.9 0.2 . 1 . . . . 27 ALA CB . 17020 1 311 . 1 1 27 27 ALA N N 15 125.1 0.2 . 1 . . . . 27 ALA N . 17020 1 312 . 1 1 28 28 GLU H H 1 9.20 0.02 . 1 . . . . 28 GLU H . 17020 1 313 . 1 1 28 28 GLU HA H 1 4.42 0.02 . 1 . . . . 28 GLU HA . 17020 1 314 . 1 1 28 28 GLU HB2 H 1 2.38 0.02 . 2 . . . . 28 GLU HB2 . 17020 1 315 . 1 1 28 28 GLU HB3 H 1 2.06 0.02 . 2 . . . . 28 GLU HB3 . 17020 1 316 . 1 1 28 28 GLU HG2 H 1 2.59 0.02 . 2 . . . . 28 GLU HG2 . 17020 1 317 . 1 1 28 28 GLU HG3 H 1 2.43 0.02 . 2 . . . . 28 GLU HG3 . 17020 1 318 . 1 1 28 28 GLU C C 13 177.9 0.2 . 1 . . . . 28 GLU C . 17020 1 319 . 1 1 28 28 GLU CA C 13 57.5 0.2 . 1 . . . . 28 GLU CA . 17020 1 320 . 1 1 28 28 GLU CB C 13 29.7 0.2 . 1 . . . . 28 GLU CB . 17020 1 321 . 1 1 28 28 GLU CG C 13 36.5 0.2 . 1 . . . . 28 GLU CG . 17020 1 322 . 1 1 28 28 GLU N N 15 124.8 0.2 . 1 . . . . 28 GLU N . 17020 1 323 . 1 1 29 29 LEU H H 1 8.78 0.02 . 1 . . . . 29 LEU H . 17020 1 324 . 1 1 29 29 LEU HA H 1 3.95 0.02 . 1 . . . . 29 LEU HA . 17020 1 325 . 1 1 29 29 LEU HB2 H 1 2.05 0.02 . 2 . . . . 29 LEU HB2 . 17020 1 326 . 1 1 29 29 LEU HB3 H 1 1.28 0.02 . 2 . . . . 29 LEU HB3 . 17020 1 327 . 1 1 29 29 LEU HD11 H 1 0.93 0.02 . 1 . . . . 29 LEU HD1 . 17020 1 328 . 1 1 29 29 LEU HD12 H 1 0.93 0.02 . 1 . . . . 29 LEU HD1 . 17020 1 329 . 1 1 29 29 LEU HD13 H 1 0.93 0.02 . 1 . . . . 29 LEU HD1 . 17020 1 330 . 1 1 29 29 LEU HD21 H 1 0.86 0.02 . 1 . . . . 29 LEU HD2 . 17020 1 331 . 1 1 29 29 LEU HD22 H 1 0.86 0.02 . 1 . . . . 29 LEU HD2 . 17020 1 332 . 1 1 29 29 LEU HD23 H 1 0.86 0.02 . 1 . . . . 29 LEU HD2 . 17020 1 333 . 1 1 29 29 LEU C C 13 178.6 0.2 . 1 . . . . 29 LEU C . 17020 1 334 . 1 1 29 29 LEU CA C 13 58.8 0.2 . 1 . . . . 29 LEU CA . 17020 1 335 . 1 1 29 29 LEU CB C 13 41.8 0.2 . 1 . . . . 29 LEU CB . 17020 1 336 . 1 1 29 29 LEU CD1 C 13 24.3 0.2 . 1 . . . . 29 LEU CD1 . 17020 1 337 . 1 1 29 29 LEU CD2 C 13 26 0.2 . 1 . . . . 29 LEU CD2 . 17020 1 338 . 1 1 29 29 LEU N N 15 128.0 0.2 . 1 . . . . 29 LEU N . 17020 1 339 . 1 1 30 30 SER H H 1 9.13 0.02 . 1 . . . . 30 SER H . 17020 1 340 . 1 1 30 30 SER HA H 1 4.25 0.02 . 1 . . . . 30 SER HA . 17020 1 341 . 1 1 30 30 SER HB2 H 1 4.05 0.02 . 2 . . . . 30 SER HB2 . 17020 1 342 . 1 1 30 30 SER HB3 H 1 4.05 0.02 . 2 . . . . 30 SER HB3 . 17020 1 343 . 1 1 30 30 SER C C 13 177.0 0.2 . 1 . . . . 30 SER C . 17020 1 344 . 1 1 30 30 SER CA C 13 61.4 0.2 . 1 . . . . 30 SER CA . 17020 1 345 . 1 1 30 30 SER CB C 13 61.8 0.2 . 1 . . . . 30 SER CB . 17020 1 346 . 1 1 30 30 SER N N 15 114.5 0.2 . 1 . . . . 30 SER N . 17020 1 347 . 1 1 31 31 ALA H H 1 7.19 0.02 . 1 . . . . 31 ALA H . 17020 1 348 . 1 1 31 31 ALA HA H 1 4.37 0.02 . 1 . . . . 31 ALA HA . 17020 1 349 . 1 1 31 31 ALA HB1 H 1 1.66 0.02 . 1 . . . . 31 ALA HB . 17020 1 350 . 1 1 31 31 ALA HB2 H 1 1.66 0.02 . 1 . . . . 31 ALA HB . 17020 1 351 . 1 1 31 31 ALA HB3 H 1 1.66 0.02 . 1 . . . . 31 ALA HB . 17020 1 352 . 1 1 31 31 ALA C C 13 180.8 0.2 . 1 . . . . 31 ALA C . 17020 1 353 . 1 1 31 31 ALA CA C 13 54.8 0.2 . 1 . . . . 31 ALA CA . 17020 1 354 . 1 1 31 31 ALA CB C 13 18.4 0.2 . 1 . . . . 31 ALA CB . 17020 1 355 . 1 1 31 31 ALA N N 15 126.4 0.2 . 1 . . . . 31 ALA N . 17020 1 356 . 1 1 32 32 VAL H H 1 8.05 0.02 . 1 . . . . 32 VAL H . 17020 1 357 . 1 1 32 32 VAL HA H 1 3.43 0.02 . 1 . . . . 32 VAL HA . 17020 1 358 . 1 1 32 32 VAL HB H 1 2.39 0.02 . 1 . . . . 32 VAL HB . 17020 1 359 . 1 1 32 32 VAL HG11 H 1 0.77 0.02 . 1 . . . . 32 VAL HG1 . 17020 1 360 . 1 1 32 32 VAL HG12 H 1 0.77 0.02 . 1 . . . . 32 VAL HG1 . 17020 1 361 . 1 1 32 32 VAL HG13 H 1 0.77 0.02 . 1 . . . . 32 VAL HG1 . 17020 1 362 . 1 1 32 32 VAL HG21 H 1 0.83 0.02 . 1 . . . . 32 VAL HG2 . 17020 1 363 . 1 1 32 32 VAL HG22 H 1 0.83 0.02 . 1 . . . . 32 VAL HG2 . 17020 1 364 . 1 1 32 32 VAL HG23 H 1 0.83 0.02 . 1 . . . . 32 VAL HG2 . 17020 1 365 . 1 1 32 32 VAL C C 13 177.7 0.2 . 1 . . . . 32 VAL C . 17020 1 366 . 1 1 32 32 VAL CA C 13 67.0 0.2 . 1 . . . . 32 VAL CA . 17020 1 367 . 1 1 32 32 VAL CB C 13 31.7 0.2 . 1 . . . . 32 VAL CB . 17020 1 368 . 1 1 32 32 VAL CG1 C 13 20.5 0.2 . 1 . . . . 32 VAL CG1 . 17020 1 369 . 1 1 32 32 VAL CG2 C 13 24.1 0.2 . 1 . . . . 32 VAL CG2 . 17020 1 370 . 1 1 32 32 VAL N N 15 121.5 0.2 . 1 . . . . 32 VAL N . 17020 1 371 . 1 1 33 33 GLY H H 1 9.05 0.02 . 1 . . . . 33 GLY H . 17020 1 372 . 1 1 33 33 GLY HA2 H 1 4 0.02 . 2 . . . . 33 GLY HA2 . 17020 1 373 . 1 1 33 33 GLY HA3 H 1 3.54 0.02 . 2 . . . . 33 GLY HA3 . 17020 1 374 . 1 1 33 33 GLY C C 13 176.3 0.2 . 1 . . . . 33 GLY C . 17020 1 375 . 1 1 33 33 GLY CA C 13 47.8 0.2 . 1 . . . . 33 GLY CA . 17020 1 376 . 1 1 33 33 GLY N N 15 106.7 0.2 . 1 . . . . 33 GLY N . 17020 1 377 . 1 1 34 34 SER H H 1 8.14 0.02 . 1 . . . . 34 SER H . 17020 1 378 . 1 1 34 34 SER HA H 1 4.29 0.02 . 1 . . . . 34 SER HA . 17020 1 379 . 1 1 34 34 SER HB2 H 1 4.02 0.02 . 2 . . . . 34 SER HB2 . 17020 1 380 . 1 1 34 34 SER HB3 H 1 4.02 0.02 . 2 . . . . 34 SER HB3 . 17020 1 381 . 1 1 34 34 SER HG H 1 5.97 0.02 . 1 . . . . 34 SER HG . 17020 1 382 . 1 1 34 34 SER C C 13 176.4 0.2 . 1 . . . . 34 SER C . 17020 1 383 . 1 1 34 34 SER CA C 13 61.8 0.2 . 1 . . . . 34 SER CA . 17020 1 384 . 1 1 34 34 SER CB C 13 62.9 0.2 . 1 . . . . 34 SER CB . 17020 1 385 . 1 1 34 34 SER N N 15 117.4 0.2 . 1 . . . . 34 SER N . 17020 1 386 . 1 1 35 35 TYR H H 1 7.95 0.02 . 1 . . . . 35 TYR H . 17020 1 387 . 1 1 35 35 TYR HA H 1 3.98 0.02 . 1 . . . . 35 TYR HA . 17020 1 388 . 1 1 35 35 TYR HB2 H 1 3.23 0.02 . 2 . . . . 35 TYR HB2 . 17020 1 389 . 1 1 35 35 TYR HB3 H 1 3.01 0.02 . 2 . . . . 35 TYR HB3 . 17020 1 390 . 1 1 35 35 TYR HD1 H 1 6.86 0.02 . 3 . . . . 35 TYR HD1 . 17020 1 391 . 1 1 35 35 TYR HD2 H 1 6.86 0.02 . 3 . . . . 35 TYR HD2 . 17020 1 392 . 1 1 35 35 TYR HE1 H 1 6.68 0.02 . 3 . . . . 35 TYR HE1 . 17020 1 393 . 1 1 35 35 TYR HE2 H 1 6.68 0.02 . 3 . . . . 35 TYR HE2 . 17020 1 394 . 1 1 35 35 TYR C C 13 179.1 0.2 . 1 . . . . 35 TYR C . 17020 1 395 . 1 1 35 35 TYR CA C 13 62.2 0.2 . 1 . . . . 35 TYR CA . 17020 1 396 . 1 1 35 35 TYR CB C 13 38.2 0.2 . 1 . . . . 35 TYR CB . 17020 1 397 . 1 1 35 35 TYR CD1 C 13 133.1 0.2 . 3 . . . . 35 TYR CD1 . 17020 1 398 . 1 1 35 35 TYR CD2 C 13 133.1 0.2 . 3 . . . . 35 TYR CD2 . 17020 1 399 . 1 1 35 35 TYR CE1 C 13 118.3 0.2 . 3 . . . . 35 TYR CE1 . 17020 1 400 . 1 1 35 35 TYR CE2 C 13 118.3 0.2 . 3 . . . . 35 TYR CE2 . 17020 1 401 . 1 1 35 35 TYR N N 15 123.6 0.2 . 1 . . . . 35 TYR N . 17020 1 402 . 1 1 36 36 LEU H H 1 8.66 0.02 . 1 . . . . 36 LEU H . 17020 1 403 . 1 1 36 36 LEU HA H 1 3.89 0.02 . 1 . . . . 36 LEU HA . 17020 1 404 . 1 1 36 36 LEU HB2 H 1 1.62 0.02 . 2 . . . . 36 LEU HB2 . 17020 1 405 . 1 1 36 36 LEU HB3 H 1 0.9 0.02 . 2 . . . . 36 LEU HB3 . 17020 1 406 . 1 1 36 36 LEU HD11 H 1 -0.03 0.02 . 1 . . . . 36 LEU HD1 . 17020 1 407 . 1 1 36 36 LEU HD12 H 1 -0.03 0.02 . 1 . . . . 36 LEU HD1 . 17020 1 408 . 1 1 36 36 LEU HD13 H 1 -0.03 0.02 . 1 . . . . 36 LEU HD1 . 17020 1 409 . 1 1 36 36 LEU HD21 H 1 0.39 0.02 . 1 . . . . 36 LEU HD2 . 17020 1 410 . 1 1 36 36 LEU HD22 H 1 0.39 0.02 . 1 . . . . 36 LEU HD2 . 17020 1 411 . 1 1 36 36 LEU HD23 H 1 0.39 0.02 . 1 . . . . 36 LEU HD2 . 17020 1 412 . 1 1 36 36 LEU HG H 1 1.61 0.02 . 1 . . . . 36 LEU HG . 17020 1 413 . 1 1 36 36 LEU C C 13 178.6 0.2 . 1 . . . . 36 LEU C . 17020 1 414 . 1 1 36 36 LEU CA C 13 57.7 0.2 . 1 . . . . 36 LEU CA . 17020 1 415 . 1 1 36 36 LEU CB C 13 41.3 0.2 . 1 . . . . 36 LEU CB . 17020 1 416 . 1 1 36 36 LEU CD1 C 13 25.9 0.2 . 1 . . . . 36 LEU CD1 . 17020 1 417 . 1 1 36 36 LEU CD2 C 13 22.7 0.2 . 1 . . . . 36 LEU CD2 . 17020 1 418 . 1 1 36 36 LEU CG C 13 26.1 0.2 . 1 . . . . 36 LEU CG . 17020 1 419 . 1 1 36 36 LEU N N 15 121.0 0.2 . 1 . . . . 36 LEU N . 17020 1 420 . 1 1 37 37 ALA H H 1 7.97 0.02 . 1 . . . . 37 ALA H . 17020 1 421 . 1 1 37 37 ALA HA H 1 4.08 0.02 . 1 . . . . 37 ALA HA . 17020 1 422 . 1 1 37 37 ALA HB1 H 1 1.48 0.02 . 1 . . . . 37 ALA HB . 17020 1 423 . 1 1 37 37 ALA HB2 H 1 1.48 0.02 . 1 . . . . 37 ALA HB . 17020 1 424 . 1 1 37 37 ALA HB3 H 1 1.48 0.02 . 1 . . . . 37 ALA HB . 17020 1 425 . 1 1 37 37 ALA C C 13 179.3 0.2 . 1 . . . . 37 ALA C . 17020 1 426 . 1 1 37 37 ALA CA C 13 54.7 0.2 . 1 . . . . 37 ALA CA . 17020 1 427 . 1 1 37 37 ALA CB C 13 18.4 0.2 . 1 . . . . 37 ALA CB . 17020 1 428 . 1 1 37 37 ALA N N 15 119.9 0.2 . 1 . . . . 37 ALA N . 17020 1 429 . 1 1 38 38 LYS H H 1 7.23 0.02 . 1 . . . . 38 LYS H . 17020 1 430 . 1 1 38 38 LYS HA H 1 4.11 0.02 . 1 . . . . 38 LYS HA . 17020 1 431 . 1 1 38 38 LYS HB2 H 1 1.7 0.02 . 2 . . . . 38 LYS HB2 . 17020 1 432 . 1 1 38 38 LYS HB3 H 1 1.65 0.02 . 2 . . . . 38 LYS HB3 . 17020 1 433 . 1 1 38 38 LYS HD2 H 1 1.57 0.02 . 2 . . . . 38 LYS HD2 . 17020 1 434 . 1 1 38 38 LYS HD3 H 1 1.57 0.02 . 2 . . . . 38 LYS HD3 . 17020 1 435 . 1 1 38 38 LYS HE2 H 1 2.92 0.02 . 2 . . . . 38 LYS HE2 . 17020 1 436 . 1 1 38 38 LYS HE3 H 1 2.92 0.02 . 2 . . . . 38 LYS HE3 . 17020 1 437 . 1 1 38 38 LYS HG2 H 1 1.38 0.02 . 2 . . . . 38 LYS HG2 . 17020 1 438 . 1 1 38 38 LYS HG3 H 1 1.29 0.02 . 2 . . . . 38 LYS HG3 . 17020 1 439 . 1 1 38 38 LYS C C 13 177.6 0.2 . 1 . . . . 38 LYS C . 17020 1 440 . 1 1 38 38 LYS CA C 13 57.8 0.2 . 1 . . . . 38 LYS CA . 17020 1 441 . 1 1 38 38 LYS CB C 13 33.4 0.2 . 1 . . . . 38 LYS CB . 17020 1 442 . 1 1 38 38 LYS CD C 13 28.9 0.2 . 1 . . . . 38 LYS CD . 17020 1 443 . 1 1 38 38 LYS CE C 13 42 0.2 . 1 . . . . 38 LYS CE . 17020 1 444 . 1 1 38 38 LYS CG C 13 24.8 0.2 . 1 . . . . 38 LYS CG . 17020 1 445 . 1 1 38 38 LYS N N 15 114.4 0.2 . 1 . . . . 38 LYS N . 17020 1 446 . 1 1 39 39 ASN H H 1 7.83 0.02 . 1 . . . . 39 ASN H . 17020 1 447 . 1 1 39 39 ASN HA H 1 4.59 0.02 . 1 . . . . 39 ASN HA . 17020 1 448 . 1 1 39 39 ASN HB2 H 1 2.45 0.02 . 2 . . . . 39 ASN HB2 . 17020 1 449 . 1 1 39 39 ASN HB3 H 1 2.03 0.02 . 2 . . . . 39 ASN HB3 . 17020 1 450 . 1 1 39 39 ASN HD21 H 1 6.72 0.02 . 2 . . . . 39 ASN HD21 . 17020 1 451 . 1 1 39 39 ASN HD22 H 1 5.8 0.02 . 2 . . . . 39 ASN HD22 . 17020 1 452 . 1 1 39 39 ASN C C 13 174.5 0.2 . 1 . . . . 39 ASN C . 17020 1 453 . 1 1 39 39 ASN CA C 13 54.9 0.2 . 1 . . . . 39 ASN CA . 17020 1 454 . 1 1 39 39 ASN CB C 13 40.7 0.2 . 1 . . . . 39 ASN CB . 17020 1 455 . 1 1 39 39 ASN N N 15 113.6 0.2 . 1 . . . . 39 ASN N . 17020 1 456 . 1 1 39 39 ASN ND2 N 15 115.2 0.2 . 1 . . . . 39 ASN ND2 . 17020 1 457 . 1 1 40 40 ASP H H 1 8.45 0.02 . 1 . . . . 40 ASP H . 17020 1 458 . 1 1 40 40 ASP HA H 1 5.23 0.02 . 1 . . . . 40 ASP HA . 17020 1 459 . 1 1 40 40 ASP HB2 H 1 2.98 0.02 . 2 . . . . 40 ASP HB2 . 17020 1 460 . 1 1 40 40 ASP HB3 H 1 2.69 0.02 . 2 . . . . 40 ASP HB3 . 17020 1 461 . 1 1 40 40 ASP CA C 13 51.6 0.2 . 1 . . . . 40 ASP CA . 17020 1 462 . 1 1 40 40 ASP CB C 13 41.1 0.2 . 1 . . . . 40 ASP CB . 17020 1 463 . 1 1 40 40 ASP N N 15 119.3 0.2 . 1 . . . . 40 ASP N . 17020 1 464 . 1 1 41 41 PRO HA H 1 4.49 0.02 . 1 . . . . 41 PRO HA . 17020 1 465 . 1 1 41 41 PRO HB2 H 1 2.42 0.02 . 2 . . . . 41 PRO HB2 . 17020 1 466 . 1 1 41 41 PRO HB3 H 1 2.05 0.02 . 2 . . . . 41 PRO HB3 . 17020 1 467 . 1 1 41 41 PRO HD2 H 1 3.78 0.02 . 2 . . . . 41 PRO HD2 . 17020 1 468 . 1 1 41 41 PRO HD3 H 1 3.51 0.02 . 2 . . . . 41 PRO HD3 . 17020 1 469 . 1 1 41 41 PRO HG2 H 1 2.02 0.02 . 2 . . . . 41 PRO HG2 . 17020 1 470 . 1 1 41 41 PRO HG3 H 1 2.02 0.02 . 2 . . . . 41 PRO HG3 . 17020 1 471 . 1 1 41 41 PRO C C 13 177.4 0.2 . 1 . . . . 41 PRO C . 17020 1 472 . 1 1 41 41 PRO CA C 13 64.6 0.2 . 1 . . . . 41 PRO CA . 17020 1 473 . 1 1 41 41 PRO CB C 13 32.1 0.2 . 1 . . . . 41 PRO CB . 17020 1 474 . 1 1 41 41 PRO CD C 13 51.1 0.2 . 1 . . . . 41 PRO CD . 17020 1 475 . 1 1 41 41 PRO CG C 13 27.2 0.2 . 1 . . . . 41 PRO CG . 17020 1 476 . 1 1 42 42 SER H H 1 8.37 0.02 . 1 . . . . 42 SER H . 17020 1 477 . 1 1 42 42 SER HA H 1 4.41 0.02 . 1 . . . . 42 SER HA . 17020 1 478 . 1 1 42 42 SER HB2 H 1 3.98 0.02 . 2 . . . . 42 SER HB2 . 17020 1 479 . 1 1 42 42 SER HB3 H 1 3.89 0.02 . 2 . . . . 42 SER HB3 . 17020 1 480 . 1 1 42 42 SER C C 13 174.8 0.2 . 1 . . . . 42 SER C . 17020 1 481 . 1 1 42 42 SER CA C 13 59.5 0.2 . 1 . . . . 42 SER CA . 17020 1 482 . 1 1 42 42 SER CB C 13 63.5 0.2 . 1 . . . . 42 SER CB . 17020 1 483 . 1 1 42 42 SER N N 15 113.1 0.2 . 1 . . . . 42 SER N . 17020 1 484 . 1 1 43 43 PHE H H 1 8.13 0.02 . 1 . . . . 43 PHE H . 17020 1 485 . 1 1 43 43 PHE HA H 1 4.51 0.02 . 1 . . . . 43 PHE HA . 17020 1 486 . 1 1 43 43 PHE HB2 H 1 3.17 0.02 . 2 . . . . 43 PHE HB2 . 17020 1 487 . 1 1 43 43 PHE HB3 H 1 2.96 0.02 . 2 . . . . 43 PHE HB3 . 17020 1 488 . 1 1 43 43 PHE HD1 H 1 7.06 0.02 . 3 . . . . 43 PHE HD1 . 17020 1 489 . 1 1 43 43 PHE HD2 H 1 7.06 0.02 . 3 . . . . 43 PHE HD2 . 17020 1 490 . 1 1 43 43 PHE HE1 H 1 6.91 0.02 . 3 . . . . 43 PHE HE1 . 17020 1 491 . 1 1 43 43 PHE HE2 H 1 6.91 0.02 . 3 . . . . 43 PHE HE2 . 17020 1 492 . 1 1 43 43 PHE HZ H 1 6.84 0.02 . 1 . . . . 43 PHE HZ . 17020 1 493 . 1 1 43 43 PHE C C 13 173.8 0.2 . 1 . . . . 43 PHE C . 17020 1 494 . 1 1 43 43 PHE CA C 13 58.9 0.2 . 1 . . . . 43 PHE CA . 17020 1 495 . 1 1 43 43 PHE CB C 13 39.0 0.2 . 1 . . . . 43 PHE CB . 17020 1 496 . 1 1 43 43 PHE CD1 C 13 132.2 0.2 . 3 . . . . 43 PHE CD1 . 17020 1 497 . 1 1 43 43 PHE CD2 C 13 132.2 0.2 . 3 . . . . 43 PHE CD2 . 17020 1 498 . 1 1 43 43 PHE CE1 C 13 131.1 0.2 . 3 . . . . 43 PHE CE1 . 17020 1 499 . 1 1 43 43 PHE CE2 C 13 131.1 0.2 . 3 . . . . 43 PHE CE2 . 17020 1 500 . 1 1 43 43 PHE CZ C 13 130.0 0.2 . 1 . . . . 43 PHE CZ . 17020 1 501 . 1 1 43 43 PHE N N 15 124.1 0.2 . 1 . . . . 43 PHE N . 17020 1 502 . 1 1 44 44 ASP H H 1 7.60 0.02 . 1 . . . . 44 ASP H . 17020 1 503 . 1 1 44 44 ASP HA H 1 4.76 0.02 . 1 . . . . 44 ASP HA . 17020 1 504 . 1 1 44 44 ASP HB2 H 1 2.79 0.02 . 2 . . . . 44 ASP HB2 . 17020 1 505 . 1 1 44 44 ASP HB3 H 1 2.55 0.02 . 2 . . . . 44 ASP HB3 . 17020 1 506 . 1 1 44 44 ASP CA C 13 50.9 0.2 . 1 . . . . 44 ASP CA . 17020 1 507 . 1 1 44 44 ASP CB C 13 42.9 0.2 . 1 . . . . 44 ASP CB . 17020 1 508 . 1 1 44 44 ASP N N 15 126.6 0.2 . 1 . . . . 44 ASP N . 17020 1 509 . 1 1 45 45 PRO HA H 1 4.12 0.02 . 1 . . . . 45 PRO HA . 17020 1 510 . 1 1 45 45 PRO HB2 H 1 2.28 0.02 . 2 . . . . 45 PRO HB2 . 17020 1 511 . 1 1 45 45 PRO HB3 H 1 2.00 0.02 . 2 . . . . 45 PRO HB3 . 17020 1 512 . 1 1 45 45 PRO HD2 H 1 3.95 0.02 . 2 . . . . 45 PRO HD2 . 17020 1 513 . 1 1 45 45 PRO HD3 H 1 3.61 0.02 . 2 . . . . 45 PRO HD3 . 17020 1 514 . 1 1 45 45 PRO HG2 H 1 2.05 0.02 . 2 . . . . 45 PRO HG2 . 17020 1 515 . 1 1 45 45 PRO HG3 H 1 1.99 0.02 . 2 . . . . 45 PRO HG3 . 17020 1 516 . 1 1 45 45 PRO C C 13 178.3 0.2 . 1 . . . . 45 PRO C . 17020 1 517 . 1 1 45 45 PRO CA C 13 64.9 0.2 . 1 . . . . 45 PRO CA . 17020 1 518 . 1 1 45 45 PRO CB C 13 32.2 0.2 . 1 . . . . 45 PRO CB . 17020 1 519 . 1 1 45 45 PRO CD C 13 51.4 0.2 . 1 . . . . 45 PRO CD . 17020 1 520 . 1 1 45 45 PRO CG C 13 27.3 0.2 . 1 . . . . 45 PRO CG . 17020 1 521 . 1 1 46 46 ARG H H 1 8.53 0.02 . 1 . . . . 46 ARG H . 17020 1 522 . 1 1 46 46 ARG HA H 1 4.14 0.02 . 1 . . . . 46 ARG HA . 17020 1 523 . 1 1 46 46 ARG HB2 H 1 1.76 0.02 . 2 . . . . 46 ARG HB2 . 17020 1 524 . 1 1 46 46 ARG HB3 H 1 1.76 0.02 . 2 . . . . 46 ARG HB3 . 17020 1 525 . 1 1 46 46 ARG HD2 H 1 3.26 0.02 . 2 . . . . 46 ARG HD2 . 17020 1 526 . 1 1 46 46 ARG HD3 H 1 3.16 0.02 . 2 . . . . 46 ARG HD3 . 17020 1 527 . 1 1 46 46 ARG HE H 1 7.58 0.02 . 1 . . . . 46 ARG HE . 17020 1 528 . 1 1 46 46 ARG HG2 H 1 1.69 0.02 . 2 . . . . 46 ARG HG2 . 17020 1 529 . 1 1 46 46 ARG HG3 H 1 1.69 0.02 . 2 . . . . 46 ARG HG3 . 17020 1 530 . 1 1 46 46 ARG C C 13 178.9 0.2 . 1 . . . . 46 ARG C . 17020 1 531 . 1 1 46 46 ARG CA C 13 58.7 0.2 . 1 . . . . 46 ARG CA . 17020 1 532 . 1 1 46 46 ARG CB C 13 29.8 0.2 . 1 . . . . 46 ARG CB . 17020 1 533 . 1 1 46 46 ARG CD C 13 43.5 0.2 . 1 . . . . 46 ARG CD . 17020 1 534 . 1 1 46 46 ARG CG C 13 27.3 0.2 . 1 . . . . 46 ARG CG . 17020 1 535 . 1 1 46 46 ARG N N 15 118.4 0.2 . 1 . . . . 46 ARG N . 17020 1 536 . 1 1 46 46 ARG NE N 15 84.7 0.2 . 1 . . . . 46 ARG NE . 17020 1 537 . 1 1 47 47 ASN H H 1 8.01 0.02 . 1 . . . . 47 ASN H . 17020 1 538 . 1 1 47 47 ASN HA H 1 4.57 0.02 . 1 . . . . 47 ASN HA . 17020 1 539 . 1 1 47 47 ASN HB2 H 1 2.55 0.02 . 2 . . . . 47 ASN HB2 . 17020 1 540 . 1 1 47 47 ASN HB3 H 1 2.55 0.02 . 2 . . . . 47 ASN HB3 . 17020 1 541 . 1 1 47 47 ASN HD21 H 1 7.56 0.02 . 2 . . . . 47 ASN HD21 . 17020 1 542 . 1 1 47 47 ASN HD22 H 1 7.01 0.02 . 2 . . . . 47 ASN HD22 . 17020 1 543 . 1 1 47 47 ASN C C 13 175.2 0.2 . 1 . . . . 47 ASN C . 17020 1 544 . 1 1 47 47 ASN CA C 13 54.1 0.2 . 1 . . . . 47 ASN CA . 17020 1 545 . 1 1 47 47 ASN CB C 13 38.5 0.2 . 1 . . . . 47 ASN CB . 17020 1 546 . 1 1 47 47 ASN N N 15 116.2 0.2 . 1 . . . . 47 ASN N . 17020 1 547 . 1 1 47 47 ASN ND2 N 15 113.2 0.2 . 1 . . . . 47 ASN ND2 . 17020 1 548 . 1 1 48 48 TRP H H 1 7.75 0.02 . 1 . . . . 48 TRP H . 17020 1 549 . 1 1 48 48 TRP HA H 1 4.66 0.02 . 1 . . . . 48 TRP HA . 17020 1 550 . 1 1 48 48 TRP HB2 H 1 3.69 0.02 . 2 . . . . 48 TRP HB2 . 17020 1 551 . 1 1 48 48 TRP HB3 H 1 3.02 0.02 . 2 . . . . 48 TRP HB3 . 17020 1 552 . 1 1 48 48 TRP HD1 H 1 7.21 0.02 . 1 . . . . 48 TRP HD1 . 17020 1 553 . 1 1 48 48 TRP HE1 H 1 10.27 0.02 . 1 . . . . 48 TRP HE1 . 17020 1 554 . 1 1 48 48 TRP HE3 H 1 7.62 0.02 . 1 . . . . 48 TRP HE3 . 17020 1 555 . 1 1 48 48 TRP HH2 H 1 7.22 0.02 . 1 . . . . 48 TRP HH2 . 17020 1 556 . 1 1 48 48 TRP HZ2 H 1 7.5 0.02 . 1 . . . . 48 TRP HZ2 . 17020 1 557 . 1 1 48 48 TRP HZ3 H 1 7.09 0.02 . 1 . . . . 48 TRP HZ3 . 17020 1 558 . 1 1 48 48 TRP C C 13 176.0 0.2 . 1 . . . . 48 TRP C . 17020 1 559 . 1 1 48 48 TRP CA C 13 57.2 0.2 . 1 . . . . 48 TRP CA . 17020 1 560 . 1 1 48 48 TRP CB C 13 30.2 0.2 . 1 . . . . 48 TRP CB . 17020 1 561 . 1 1 48 48 TRP CD1 C 13 127.3 0.2 . 1 . . . . 48 TRP CD1 . 17020 1 562 . 1 1 48 48 TRP CE3 C 13 120.5 0.2 . 1 . . . . 48 TRP CE3 . 17020 1 563 . 1 1 48 48 TRP CH2 C 13 124.5 0.2 . 1 . . . . 48 TRP CH2 . 17020 1 564 . 1 1 48 48 TRP CZ2 C 13 114.9 0.2 . 1 . . . . 48 TRP CZ2 . 17020 1 565 . 1 1 48 48 TRP CZ3 C 13 122.1 0.2 . 1 . . . . 48 TRP CZ3 . 17020 1 566 . 1 1 48 48 TRP N N 15 119.4 0.2 . 1 . . . . 48 TRP N . 17020 1 567 . 1 1 48 48 TRP NE1 N 15 129.3 0.2 . 1 . . . . 48 TRP NE1 . 17020 1 568 . 1 1 49 49 GLY H H 1 7.78 0.02 . 1 . . . . 49 GLY H . 17020 1 569 . 1 1 49 49 GLY HA2 H 1 3.95 0.02 . 2 . . . . 49 GLY HA2 . 17020 1 570 . 1 1 49 49 GLY HA3 H 1 3.95 0.02 . 2 . . . . 49 GLY HA3 . 17020 1 571 . 1 1 49 49 GLY C C 13 173.9 0.2 . 1 . . . . 49 GLY C . 17020 1 572 . 1 1 49 49 GLY CA C 13 45.6 0.2 . 1 . . . . 49 GLY CA . 17020 1 573 . 1 1 49 49 GLY N N 15 107.3 0.2 . 1 . . . . 49 GLY N . 17020 1 574 . 1 1 50 50 HIS H H 1 8.33 0.02 . 1 . . . . 50 HIS H . 17020 1 575 . 1 1 50 50 HIS HA H 1 4.62 0.02 . 1 . . . . 50 HIS HA . 17020 1 576 . 1 1 50 50 HIS HB2 H 1 3.28 0.02 . 2 . . . . 50 HIS HB2 . 17020 1 577 . 1 1 50 50 HIS HB3 H 1 3.04 0.02 . 2 . . . . 50 HIS HB3 . 17020 1 578 . 1 1 50 50 HIS C C 13 174.9 0.2 . 1 . . . . 50 HIS C . 17020 1 579 . 1 1 50 50 HIS CA C 13 56.1 0.2 . 1 . . . . 50 HIS CA . 17020 1 580 . 1 1 50 50 HIS CB C 13 29.9 0.2 . 1 . . . . 50 HIS CB . 17020 1 581 . 1 1 50 50 HIS N N 15 116.5 0.2 . 1 . . . . 50 HIS N . 17020 1 582 . 1 1 51 51 GLY H H 1 8.59 0.02 . 1 . . . . 51 GLY H . 17020 1 583 . 1 1 51 51 GLY HA2 H 1 4.06 0.02 . 2 . . . . 51 GLY HA2 . 17020 1 584 . 1 1 51 51 GLY HA3 H 1 3.95 0.02 . 2 . . . . 51 GLY HA3 . 17020 1 585 . 1 1 51 51 GLY C C 13 174.9 0.2 . 1 . . . . 51 GLY C . 17020 1 586 . 1 1 51 51 GLY CA C 13 46.1 0.2 . 1 . . . . 51 GLY CA . 17020 1 587 . 1 1 51 51 GLY N N 15 107.7 0.2 . 1 . . . . 51 GLY N . 17020 1 588 . 1 1 52 52 ARG H H 1 7.82 0.02 . 1 . . . . 52 ARG H . 17020 1 589 . 1 1 52 52 ARG HA H 1 4.75 0.02 . 1 . . . . 52 ARG HA . 17020 1 590 . 1 1 52 52 ARG HB2 H 1 2.00 0.02 . 2 . . . . 52 ARG HB2 . 17020 1 591 . 1 1 52 52 ARG HB3 H 1 1.82 0.02 . 2 . . . . 52 ARG HB3 . 17020 1 592 . 1 1 52 52 ARG HD2 H 1 3.13 0.02 . 2 . . . . 52 ARG HD2 . 17020 1 593 . 1 1 52 52 ARG HD3 H 1 3.07 0.02 . 2 . . . . 52 ARG HD3 . 17020 1 594 . 1 1 52 52 ARG HE H 1 7.03 0.02 . 1 . . . . 52 ARG HE . 17020 1 595 . 1 1 52 52 ARG HG2 H 1 1.69 0.02 . 2 . . . . 52 ARG HG2 . 17020 1 596 . 1 1 52 52 ARG HG3 H 1 1.69 0.02 . 2 . . . . 52 ARG HG3 . 17020 1 597 . 1 1 52 52 ARG C C 13 177.9 0.2 . 1 . . . . 52 ARG C . 17020 1 598 . 1 1 52 52 ARG CA C 13 55.8 0.2 . 1 . . . . 52 ARG CA . 17020 1 599 . 1 1 52 52 ARG CB C 13 32.0 0.2 . 1 . . . . 52 ARG CB . 17020 1 600 . 1 1 52 52 ARG CD C 13 43.4 0.2 . 1 . . . . 52 ARG CD . 17020 1 601 . 1 1 52 52 ARG CG C 13 27.4 0.2 . 1 . . . . 52 ARG CG . 17020 1 602 . 1 1 52 52 ARG N N 15 117.8 0.2 . 1 . . . . 52 ARG N . 17020 1 603 . 1 1 52 52 ARG NE N 15 84.6 0.2 . 1 . . . . 52 ARG NE . 17020 1 604 . 1 1 53 53 LEU H H 1 8.91 0.02 . 1 . . . . 53 LEU H . 17020 1 605 . 1 1 53 53 LEU HA H 1 4.21 0.02 . 1 . . . . 53 LEU HA . 17020 1 606 . 1 1 53 53 LEU HB2 H 1 2.05 0.02 . 2 . . . . 53 LEU HB2 . 17020 1 607 . 1 1 53 53 LEU HB3 H 1 1.83 0.02 . 2 . . . . 53 LEU HB3 . 17020 1 608 . 1 1 53 53 LEU HD11 H 1 1.07 0.02 . 1 . . . . 53 LEU HD1 . 17020 1 609 . 1 1 53 53 LEU HD12 H 1 1.07 0.02 . 1 . . . . 53 LEU HD1 . 17020 1 610 . 1 1 53 53 LEU HD13 H 1 1.07 0.02 . 1 . . . . 53 LEU HD1 . 17020 1 611 . 1 1 53 53 LEU HD21 H 1 0.95 0.02 . 1 . . . . 53 LEU HD2 . 17020 1 612 . 1 1 53 53 LEU HD22 H 1 0.95 0.02 . 1 . . . . 53 LEU HD2 . 17020 1 613 . 1 1 53 53 LEU HD23 H 1 0.95 0.02 . 1 . . . . 53 LEU HD2 . 17020 1 614 . 1 1 53 53 LEU HG H 1 1.47 0.02 . 1 . . . . 53 LEU HG . 17020 1 615 . 1 1 53 53 LEU C C 13 177.9 0.2 . 1 . . . . 53 LEU C . 17020 1 616 . 1 1 53 53 LEU CA C 13 58.8 0.2 . 1 . . . . 53 LEU CA . 17020 1 617 . 1 1 53 53 LEU CB C 13 41.7 0.2 . 1 . . . . 53 LEU CB . 17020 1 618 . 1 1 53 53 LEU CD1 C 13 23.9 0.2 . 1 . . . . 53 LEU CD1 . 17020 1 619 . 1 1 53 53 LEU CD2 C 13 25.8 0.2 . 1 . . . . 53 LEU CD2 . 17020 1 620 . 1 1 53 53 LEU CG C 13 27.5 0.2 . 1 . . . . 53 LEU CG . 17020 1 621 . 1 1 53 53 LEU N N 15 123.8 0.2 . 1 . . . . 53 LEU N . 17020 1 622 . 1 1 54 54 SER H H 1 8.50 0.02 . 1 . . . . 54 SER H . 17020 1 623 . 1 1 54 54 SER HA H 1 4.24 0.02 . 1 . . . . 54 SER HA . 17020 1 624 . 1 1 54 54 SER HB2 H 1 3.88 0.02 . 2 . . . . 54 SER HB2 . 17020 1 625 . 1 1 54 54 SER HB3 H 1 3.84 0.02 . 2 . . . . 54 SER HB3 . 17020 1 626 . 1 1 54 54 SER C C 13 175.3 0.2 . 1 . . . . 54 SER C . 17020 1 627 . 1 1 54 54 SER CA C 13 61.3 0.2 . 1 . . . . 54 SER CA . 17020 1 628 . 1 1 54 54 SER CB C 13 62.1 0.2 . 1 . . . . 54 SER CB . 17020 1 629 . 1 1 54 54 SER N N 15 112.3 0.2 . 1 . . . . 54 SER N . 17020 1 630 . 1 1 55 55 GLN H H 1 7.18 0.02 . 1 . . . . 55 GLN H . 17020 1 631 . 1 1 55 55 GLN HA H 1 4.13 0.02 . 1 . . . . 55 GLN HA . 17020 1 632 . 1 1 55 55 GLN HB2 H 1 2.18 0.02 . 2 . . . . 55 GLN HB2 . 17020 1 633 . 1 1 55 55 GLN HB3 H 1 2.18 0.02 . 2 . . . . 55 GLN HB3 . 17020 1 634 . 1 1 55 55 GLN HE21 H 1 7.53 0.02 . 2 . . . . 55 GLN HE21 . 17020 1 635 . 1 1 55 55 GLN HE22 H 1 6.96 0.02 . 2 . . . . 55 GLN HE22 . 17020 1 636 . 1 1 55 55 GLN HG2 H 1 2.43 0.02 . 2 . . . . 55 GLN HG2 . 17020 1 637 . 1 1 55 55 GLN HG3 H 1 2.43 0.02 . 2 . . . . 55 GLN HG3 . 17020 1 638 . 1 1 55 55 GLN C C 13 178.2 0.2 . 1 . . . . 55 GLN C . 17020 1 639 . 1 1 55 55 GLN CA C 13 57.8 0.2 . 1 . . . . 55 GLN CA . 17020 1 640 . 1 1 55 55 GLN CB C 13 29.3 0.2 . 1 . . . . 55 GLN CB . 17020 1 641 . 1 1 55 55 GLN CG C 13 34.2 0.2 . 1 . . . . 55 GLN CG . 17020 1 642 . 1 1 55 55 GLN N N 15 117.9 0.2 . 1 . . . . 55 GLN N . 17020 1 643 . 1 1 55 55 GLN NE2 N 15 112.3 0.2 . 1 . . . . 55 GLN NE2 . 17020 1 644 . 1 1 56 56 MET H H 1 7.96 0.02 . 1 . . . . 56 MET H . 17020 1 645 . 1 1 56 56 MET HA H 1 3.65 0.02 . 1 . . . . 56 MET HA . 17020 1 646 . 1 1 56 56 MET HB2 H 1 2.15 0.02 . 2 . . . . 56 MET HB2 . 17020 1 647 . 1 1 56 56 MET HB3 H 1 2.15 0.02 . 2 . . . . 56 MET HB3 . 17020 1 648 . 1 1 56 56 MET HE1 H 1 1.94 0.02 . 1 . . . . 56 MET HE . 17020 1 649 . 1 1 56 56 MET HE2 H 1 1.94 0.02 . 1 . . . . 56 MET HE . 17020 1 650 . 1 1 56 56 MET HE3 H 1 1.94 0.02 . 1 . . . . 56 MET HE . 17020 1 651 . 1 1 56 56 MET HG2 H 1 2.48 0.02 . 2 . . . . 56 MET HG2 . 17020 1 652 . 1 1 56 56 MET HG3 H 1 2.17 0.02 . 2 . . . . 56 MET HG3 . 17020 1 653 . 1 1 56 56 MET C C 13 179.2 0.2 . 1 . . . . 56 MET C . 17020 1 654 . 1 1 56 56 MET CA C 13 59.1 0.2 . 1 . . . . 56 MET CA . 17020 1 655 . 1 1 56 56 MET CB C 13 33.0 0.2 . 1 . . . . 56 MET CB . 17020 1 656 . 1 1 56 56 MET CE C 13 16.8 0.2 . 1 . . . . 56 MET CE . 17020 1 657 . 1 1 56 56 MET CG C 13 32.1 0.2 . 1 . . . . 56 MET CG . 17020 1 658 . 1 1 56 56 MET N N 15 119.1 0.2 . 1 . . . . 56 MET N . 17020 1 659 . 1 1 57 57 VAL H H 1 8.00 0.02 . 1 . . . . 57 VAL H . 17020 1 660 . 1 1 57 57 VAL HA H 1 3.53 0.02 . 1 . . . . 57 VAL HA . 17020 1 661 . 1 1 57 57 VAL HB H 1 1.97 0.02 . 1 . . . . 57 VAL HB . 17020 1 662 . 1 1 57 57 VAL HG11 H 1 0.84 0.02 . 1 . . . . 57 VAL HG1 . 17020 1 663 . 1 1 57 57 VAL HG12 H 1 0.84 0.02 . 1 . . . . 57 VAL HG1 . 17020 1 664 . 1 1 57 57 VAL HG13 H 1 0.84 0.02 . 1 . . . . 57 VAL HG1 . 17020 1 665 . 1 1 57 57 VAL HG21 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 17020 1 666 . 1 1 57 57 VAL HG22 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 17020 1 667 . 1 1 57 57 VAL HG23 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 17020 1 668 . 1 1 57 57 VAL C C 13 176.8 0.2 . 1 . . . . 57 VAL C . 17020 1 669 . 1 1 57 57 VAL CA C 13 65.2 0.2 . 1 . . . . 57 VAL CA . 17020 1 670 . 1 1 57 57 VAL CB C 13 31.0 0.2 . 1 . . . . 57 VAL CB . 17020 1 671 . 1 1 57 57 VAL CG1 C 13 22.3 0.2 . 1 . . . . 57 VAL CG1 . 17020 1 672 . 1 1 57 57 VAL CG2 C 13 19 0.2 . 1 . . . . 57 VAL CG2 . 17020 1 673 . 1 1 57 57 VAL N N 15 108.9 0.2 . 1 . . . . 57 VAL N . 17020 1 674 . 1 1 58 58 LYS H H 1 6.86 0.02 . 1 . . . . 58 LYS H . 17020 1 675 . 1 1 58 58 LYS HA H 1 3.9 0.02 . 1 . . . . 58 LYS HA . 17020 1 676 . 1 1 58 58 LYS HB2 H 1 1.96 0.02 . 2 . . . . 58 LYS HB2 . 17020 1 677 . 1 1 58 58 LYS HB3 H 1 1.73 0.02 . 2 . . . . 58 LYS HB3 . 17020 1 678 . 1 1 58 58 LYS HD2 H 1 1.58 0.02 . 2 . . . . 58 LYS HD2 . 17020 1 679 . 1 1 58 58 LYS HD3 H 1 1.58 0.02 . 2 . . . . 58 LYS HD3 . 17020 1 680 . 1 1 58 58 LYS HE2 H 1 2.91 0.02 . 2 . . . . 58 LYS HE2 . 17020 1 681 . 1 1 58 58 LYS HE3 H 1 2.91 0.02 . 2 . . . . 58 LYS HE3 . 17020 1 682 . 1 1 58 58 LYS HG2 H 1 1.38 0.02 . 2 . . . . 58 LYS HG2 . 17020 1 683 . 1 1 58 58 LYS HG3 H 1 1.38 0.02 . 2 . . . . 58 LYS HG3 . 17020 1 684 . 1 1 58 58 LYS C C 13 176.4 0.2 . 1 . . . . 58 LYS C . 17020 1 685 . 1 1 58 58 LYS CA C 13 58.6 0.2 . 1 . . . . 58 LYS CA . 17020 1 686 . 1 1 58 58 LYS CB C 13 32.6 0.2 . 1 . . . . 58 LYS CB . 17020 1 687 . 1 1 58 58 LYS CD C 13 29 0.2 . 1 . . . . 58 LYS CD . 17020 1 688 . 1 1 58 58 LYS CE C 13 42.1 0.2 . 1 . . . . 58 LYS CE . 17020 1 689 . 1 1 58 58 LYS CG C 13 24.8 0.2 . 1 . . . . 58 LYS CG . 17020 1 690 . 1 1 58 58 LYS N N 15 116.9 0.2 . 1 . . . . 58 LYS N . 17020 1 691 . 1 1 59 59 LYS H H 1 7.34 0.02 . 1 . . . . 59 LYS H . 17020 1 692 . 1 1 59 59 LYS HA H 1 4.43 0.02 . 1 . . . . 59 LYS HA . 17020 1 693 . 1 1 59 59 LYS HB2 H 1 2.08 0.02 . 2 . . . . 59 LYS HB2 . 17020 1 694 . 1 1 59 59 LYS HB3 H 1 1.71 0.02 . 2 . . . . 59 LYS HB3 . 17020 1 695 . 1 1 59 59 LYS HD2 H 1 1.68 0.02 . 2 . . . . 59 LYS HD2 . 17020 1 696 . 1 1 59 59 LYS HD3 H 1 1.68 0.02 . 2 . . . . 59 LYS HD3 . 17020 1 697 . 1 1 59 59 LYS HE2 H 1 3.01 0.02 . 2 . . . . 59 LYS HE2 . 17020 1 698 . 1 1 59 59 LYS HE3 H 1 3.01 0.02 . 2 . . . . 59 LYS HE3 . 17020 1 699 . 1 1 59 59 LYS HG2 H 1 1.46 0.02 . 2 . . . . 59 LYS HG2 . 17020 1 700 . 1 1 59 59 LYS HG3 H 1 1.46 0.02 . 2 . . . . 59 LYS HG3 . 17020 1 701 . 1 1 59 59 LYS C C 13 175.9 0.2 . 1 . . . . 59 LYS C . 17020 1 702 . 1 1 59 59 LYS CA C 13 54.9 0.2 . 1 . . . . 59 LYS CA . 17020 1 703 . 1 1 59 59 LYS CB C 13 32.6 0.2 . 1 . . . . 59 LYS CB . 17020 1 704 . 1 1 59 59 LYS CD C 13 29 0.2 . 1 . . . . 59 LYS CD . 17020 1 705 . 1 1 59 59 LYS CE C 13 42.1 0.2 . 1 . . . . 59 LYS CE . 17020 1 706 . 1 1 59 59 LYS CG C 13 24.9 0.2 . 1 . . . . 59 LYS CG . 17020 1 707 . 1 1 59 59 LYS N N 15 115.6 0.2 . 1 . . . . 59 LYS N . 17020 1 708 . 1 1 60 60 LEU H H 1 6.68 0.02 . 1 . . . . 60 LEU H . 17020 1 709 . 1 1 60 60 LEU HA H 1 4.37 0.02 . 1 . . . . 60 LEU HA . 17020 1 710 . 1 1 60 60 LEU HB2 H 1 1.13 0.02 . 2 . . . . 60 LEU HB2 . 17020 1 711 . 1 1 60 60 LEU HB3 H 1 -0.08 0.02 . 2 . . . . 60 LEU HB3 . 17020 1 712 . 1 1 60 60 LEU HD11 H 1 0.17 0.02 . 1 . . . . 60 LEU HD1 . 17020 1 713 . 1 1 60 60 LEU HD12 H 1 0.17 0.02 . 1 . . . . 60 LEU HD1 . 17020 1 714 . 1 1 60 60 LEU HD13 H 1 0.17 0.02 . 1 . . . . 60 LEU HD1 . 17020 1 715 . 1 1 60 60 LEU HD21 H 1 0.58 0.02 . 1 . . . . 60 LEU HD2 . 17020 1 716 . 1 1 60 60 LEU HD22 H 1 0.58 0.02 . 1 . . . . 60 LEU HD2 . 17020 1 717 . 1 1 60 60 LEU HD23 H 1 0.58 0.02 . 1 . . . . 60 LEU HD2 . 17020 1 718 . 1 1 60 60 LEU HG H 1 1.55 0.02 . 1 . . . . 60 LEU HG . 17020 1 719 . 1 1 60 60 LEU C C 13 176.7 0.2 . 1 . . . . 60 LEU C . 17020 1 720 . 1 1 60 60 LEU CA C 13 53.3 0.2 . 1 . . . . 60 LEU CA . 17020 1 721 . 1 1 60 60 LEU CB C 13 40.0 0.2 . 1 . . . . 60 LEU CB . 17020 1 722 . 1 1 60 60 LEU CD1 C 13 26 0.2 . 1 . . . . 60 LEU CD1 . 17020 1 723 . 1 1 60 60 LEU CD2 C 13 22.3 0.2 . 1 . . . . 60 LEU CD2 . 17020 1 724 . 1 1 60 60 LEU CG C 13 25 0.2 . 1 . . . . 60 LEU CG . 17020 1 725 . 1 1 60 60 LEU N N 15 120.0 0.2 . 1 . . . . 60 LEU N . 17020 1 726 . 1 1 61 61 ASP H H 1 8.68 0.02 . 1 . . . . 61 ASP H . 17020 1 727 . 1 1 61 61 ASP HA H 1 4.3 0.02 . 1 . . . . 61 ASP HA . 17020 1 728 . 1 1 61 61 ASP HB2 H 1 2.87 0.02 . 2 . . . . 61 ASP HB2 . 17020 1 729 . 1 1 61 61 ASP HB3 H 1 2.72 0.02 . 2 . . . . 61 ASP HB3 . 17020 1 730 . 1 1 61 61 ASP C C 13 175.5 0.2 . 1 . . . . 61 ASP C . 17020 1 731 . 1 1 61 61 ASP CA C 13 56.2 0.2 . 1 . . . . 61 ASP CA . 17020 1 732 . 1 1 61 61 ASP CB C 13 40.4 0.2 . 1 . . . . 61 ASP CB . 17020 1 733 . 1 1 61 61 ASP N N 15 123.4 0.2 . 1 . . . . 61 ASP N . 17020 1 734 . 1 1 62 62 PHE H H 1 6.36 0.02 . 1 . . . . 62 PHE H . 17020 1 735 . 1 1 62 62 PHE HA H 1 4.77 0.02 . 1 . . . . 62 PHE HA . 17020 1 736 . 1 1 62 62 PHE HB2 H 1 3.5 0.02 . 2 . . . . 62 PHE HB2 . 17020 1 737 . 1 1 62 62 PHE HB3 H 1 2.89 0.02 . 2 . . . . 62 PHE HB3 . 17020 1 738 . 1 1 62 62 PHE HD1 H 1 7.17 0.02 . 3 . . . . 62 PHE HD1 . 17020 1 739 . 1 1 62 62 PHE HD2 H 1 7.17 0.02 . 3 . . . . 62 PHE HD2 . 17020 1 740 . 1 1 62 62 PHE HE1 H 1 7.05 0.02 . 3 . . . . 62 PHE HE1 . 17020 1 741 . 1 1 62 62 PHE HE2 H 1 7.05 0.02 . 3 . . . . 62 PHE HE2 . 17020 1 742 . 1 1 62 62 PHE HZ H 1 6.86 0.02 . 1 . . . . 62 PHE HZ . 17020 1 743 . 1 1 62 62 PHE C C 13 174.6 0.2 . 1 . . . . 62 PHE C . 17020 1 744 . 1 1 62 62 PHE CA C 13 55.3 0.2 . 1 . . . . 62 PHE CA . 17020 1 745 . 1 1 62 62 PHE CB C 13 37.7 0.2 . 1 . . . . 62 PHE CB . 17020 1 746 . 1 1 62 62 PHE CD1 C 13 132.7 0.2 . 3 . . . . 62 PHE CD1 . 17020 1 747 . 1 1 62 62 PHE CD2 C 13 132.7 0.2 . 3 . . . . 62 PHE CD2 . 17020 1 748 . 1 1 62 62 PHE CE1 C 13 131.7 0.2 . 3 . . . . 62 PHE CE1 . 17020 1 749 . 1 1 62 62 PHE CE2 C 13 131.7 0.2 . 3 . . . . 62 PHE CE2 . 17020 1 750 . 1 1 62 62 PHE CZ C 13 129.3 0.2 . 1 . . . . 62 PHE CZ . 17020 1 751 . 1 1 62 62 PHE N N 15 110.0 0.2 . 1 . . . . 62 PHE N . 17020 1 752 . 1 1 63 63 LEU H H 1 7.37 0.02 . 1 . . . . 63 LEU H . 17020 1 753 . 1 1 63 63 LEU HA H 1 5.12 0.02 . 1 . . . . 63 LEU HA . 17020 1 754 . 1 1 63 63 LEU HB2 H 1 1.58 0.02 . 2 . . . . 63 LEU HB2 . 17020 1 755 . 1 1 63 63 LEU HB3 H 1 1.02 0.02 . 2 . . . . 63 LEU HB3 . 17020 1 756 . 1 1 63 63 LEU HD11 H 1 0.28 0.02 . 1 . . . . 63 LEU HD1 . 17020 1 757 . 1 1 63 63 LEU HD12 H 1 0.28 0.02 . 1 . . . . 63 LEU HD1 . 17020 1 758 . 1 1 63 63 LEU HD13 H 1 0.28 0.02 . 1 . . . . 63 LEU HD1 . 17020 1 759 . 1 1 63 63 LEU HD21 H 1 0.65 0.02 . 1 . . . . 63 LEU HD2 . 17020 1 760 . 1 1 63 63 LEU HD22 H 1 0.65 0.02 . 1 . . . . 63 LEU HD2 . 17020 1 761 . 1 1 63 63 LEU HD23 H 1 0.65 0.02 . 1 . . . . 63 LEU HD2 . 17020 1 762 . 1 1 63 63 LEU HG H 1 0.61 0.02 . 1 . . . . 63 LEU HG . 17020 1 763 . 1 1 63 63 LEU C C 13 175.8 0.2 . 1 . . . . 63 LEU C . 17020 1 764 . 1 1 63 63 LEU CA C 13 53.3 0.2 . 1 . . . . 63 LEU CA . 17020 1 765 . 1 1 63 63 LEU CB C 13 45.1 0.2 . 1 . . . . 63 LEU CB . 17020 1 766 . 1 1 63 63 LEU CD1 C 13 26.9 0.2 . 1 . . . . 63 LEU CD1 . 17020 1 767 . 1 1 63 63 LEU CD2 C 13 24.8 0.2 . 1 . . . . 63 LEU CD2 . 17020 1 768 . 1 1 63 63 LEU CG C 13 25.7 0.2 . 1 . . . . 63 LEU CG . 17020 1 769 . 1 1 63 63 LEU N N 15 122.8 0.2 . 1 . . . . 63 LEU N . 17020 1 770 . 1 1 64 64 THR H H 1 8.67 0.02 . 1 . . . . 64 THR H . 17020 1 771 . 1 1 64 64 THR HA H 1 4.56 0.02 . 1 . . . . 64 THR HA . 17020 1 772 . 1 1 64 64 THR HB H 1 3.56 0.02 . 1 . . . . 64 THR HB . 17020 1 773 . 1 1 64 64 THR HG1 H 1 6.89 0.02 . 1 . . . . 64 THR HG1 . 17020 1 774 . 1 1 64 64 THR HG21 H 1 1.26 0.02 . 1 . . . . 64 THR HG2 . 17020 1 775 . 1 1 64 64 THR HG22 H 1 1.26 0.02 . 1 . . . . 64 THR HG2 . 17020 1 776 . 1 1 64 64 THR HG23 H 1 1.26 0.02 . 1 . . . . 64 THR HG2 . 17020 1 777 . 1 1 64 64 THR C C 13 172.7 0.2 . 1 . . . . 64 THR C . 17020 1 778 . 1 1 64 64 THR CA C 13 62.1 0.2 . 1 . . . . 64 THR CA . 17020 1 779 . 1 1 64 64 THR CB C 13 70.9 0.2 . 1 . . . . 64 THR CB . 17020 1 780 . 1 1 64 64 THR CG2 C 13 22.6 0.2 . 1 . . . . 64 THR CG2 . 17020 1 781 . 1 1 64 64 THR N N 15 117.9 0.2 . 1 . . . . 64 THR N . 17020 1 782 . 1 1 65 65 VAL H H 1 8.61 0.02 . 1 . . . . 65 VAL H . 17020 1 783 . 1 1 65 65 VAL HA H 1 5.09 0.02 . 1 . . . . 65 VAL HA . 17020 1 784 . 1 1 65 65 VAL HB H 1 1.95 0.02 . 1 . . . . 65 VAL HB . 17020 1 785 . 1 1 65 65 VAL HG11 H 1 0.88 0.02 . 1 . . . . 65 VAL HG1 . 17020 1 786 . 1 1 65 65 VAL HG12 H 1 0.88 0.02 . 1 . . . . 65 VAL HG1 . 17020 1 787 . 1 1 65 65 VAL HG13 H 1 0.88 0.02 . 1 . . . . 65 VAL HG1 . 17020 1 788 . 1 1 65 65 VAL HG21 H 1 0.75 0.02 . 1 . . . . 65 VAL HG2 . 17020 1 789 . 1 1 65 65 VAL HG22 H 1 0.75 0.02 . 1 . . . . 65 VAL HG2 . 17020 1 790 . 1 1 65 65 VAL HG23 H 1 0.75 0.02 . 1 . . . . 65 VAL HG2 . 17020 1 791 . 1 1 65 65 VAL C C 13 175.4 0.2 . 1 . . . . 65 VAL C . 17020 1 792 . 1 1 65 65 VAL CA C 13 60.8 0.2 . 1 . . . . 65 VAL CA . 17020 1 793 . 1 1 65 65 VAL CB C 13 34.6 0.2 . 1 . . . . 65 VAL CB . 17020 1 794 . 1 1 65 65 VAL CG1 C 13 21 0.2 . 1 . . . . 65 VAL CG1 . 17020 1 795 . 1 1 65 65 VAL CG2 C 13 21.7 0.2 . 1 . . . . 65 VAL CG2 . 17020 1 796 . 1 1 65 65 VAL N N 15 125.6 0.2 . 1 . . . . 65 VAL N . 17020 1 797 . 1 1 66 66 GLN H H 1 9.20 0.02 . 1 . . . . 66 GLN H . 17020 1 798 . 1 1 66 66 GLN HA H 1 4.7 0.02 . 1 . . . . 66 GLN HA . 17020 1 799 . 1 1 66 66 GLN HB2 H 1 1.55 0.02 . 2 . . . . 66 GLN HB2 . 17020 1 800 . 1 1 66 66 GLN HB3 H 1 1.45 0.02 . 2 . . . . 66 GLN HB3 . 17020 1 801 . 1 1 66 66 GLN HE21 H 1 6.48 0.02 . 2 . . . . 66 GLN HE21 . 17020 1 802 . 1 1 66 66 GLN HE22 H 1 5.98 0.02 . 2 . . . . 66 GLN HE22 . 17020 1 803 . 1 1 66 66 GLN HG2 H 1 1.78 0.02 . 2 . . . . 66 GLN HG2 . 17020 1 804 . 1 1 66 66 GLN HG3 H 1 1.61 0.02 . 2 . . . . 66 GLN HG3 . 17020 1 805 . 1 1 66 66 GLN C C 13 173.8 0.2 . 1 . . . . 66 GLN C . 17020 1 806 . 1 1 66 66 GLN CA C 13 54.7 0.2 . 1 . . . . 66 GLN CA . 17020 1 807 . 1 1 66 66 GLN CB C 13 31.9 0.2 . 1 . . . . 66 GLN CB . 17020 1 808 . 1 1 66 66 GLN CG C 13 32.9 0.2 . 1 . . . . 66 GLN CG . 17020 1 809 . 1 1 66 66 GLN N N 15 126.8 0.2 . 1 . . . . 66 GLN N . 17020 1 810 . 1 1 66 66 GLN NE2 N 15 109.8 0.2 . 1 . . . . 66 GLN NE2 . 17020 1 811 . 1 1 67 67 GLU H H 1 8.72 0.02 . 1 . . . . 67 GLU H . 17020 1 812 . 1 1 67 67 GLU HA H 1 5.07 0.02 . 1 . . . . 67 GLU HA . 17020 1 813 . 1 1 67 67 GLU HB2 H 1 1.91 0.02 . 2 . . . . 67 GLU HB2 . 17020 1 814 . 1 1 67 67 GLU HB3 H 1 1.85 0.02 . 2 . . . . 67 GLU HB3 . 17020 1 815 . 1 1 67 67 GLU HG2 H 1 2.15 0.02 . 2 . . . . 67 GLU HG2 . 17020 1 816 . 1 1 67 67 GLU HG3 H 1 2.1 0.02 . 2 . . . . 67 GLU HG3 . 17020 1 817 . 1 1 67 67 GLU C C 13 175.5 0.2 . 1 . . . . 67 GLU C . 17020 1 818 . 1 1 67 67 GLU CA C 13 55.0 0.2 . 1 . . . . 67 GLU CA . 17020 1 819 . 1 1 67 67 GLU CB C 13 32.1 0.2 . 1 . . . . 67 GLU CB . 17020 1 820 . 1 1 67 67 GLU CG C 13 36.4 0.2 . 1 . . . . 67 GLU CG . 17020 1 821 . 1 1 67 67 GLU N N 15 125.2 0.2 . 1 . . . . 67 GLU N . 17020 1 822 . 1 1 68 68 SER H H 1 8.67 0.02 . 1 . . . . 68 SER H . 17020 1 823 . 1 1 68 68 SER HA H 1 4.56 0.02 . 1 . . . . 68 SER HA . 17020 1 824 . 1 1 68 68 SER HB2 H 1 3.59 0.02 . 2 . . . . 68 SER HB2 . 17020 1 825 . 1 1 68 68 SER HB3 H 1 3.59 0.02 . 2 . . . . 68 SER HB3 . 17020 1 826 . 1 1 68 68 SER HG H 1 6.36 0.02 . 1 . . . . 68 SER HG . 17020 1 827 . 1 1 68 68 SER C C 13 173.0 0.2 . 1 . . . . 68 SER C . 17020 1 828 . 1 1 68 68 SER CA C 13 57.2 0.2 . 1 . . . . 68 SER CA . 17020 1 829 . 1 1 68 68 SER CB C 13 65.1 0.2 . 1 . . . . 68 SER CB . 17020 1 830 . 1 1 68 68 SER N N 15 117.8 0.2 . 1 . . . . 68 SER N . 17020 1 831 . 1 1 69 69 ARG H H 1 8.67 0.02 . 1 . . . . 69 ARG H . 17020 1 832 . 1 1 69 69 ARG HA H 1 4.81 0.02 . 1 . . . . 69 ARG HA . 17020 1 833 . 1 1 69 69 ARG HB2 H 1 1.81 0.02 . 2 . . . . 69 ARG HB2 . 17020 1 834 . 1 1 69 69 ARG HB3 H 1 1.64 0.02 . 2 . . . . 69 ARG HB3 . 17020 1 835 . 1 1 69 69 ARG HD2 H 1 2.99 0.02 . 2 . . . . 69 ARG HD2 . 17020 1 836 . 1 1 69 69 ARG HD3 H 1 2.91 0.02 . 2 . . . . 69 ARG HD3 . 17020 1 837 . 1 1 69 69 ARG HE H 1 7.19 0.02 . 1 . . . . 69 ARG HE . 17020 1 838 . 1 1 69 69 ARG HG2 H 1 1.68 0.02 . 2 . . . . 69 ARG HG2 . 17020 1 839 . 1 1 69 69 ARG HG3 H 1 1.36 0.02 . 2 . . . . 69 ARG HG3 . 17020 1 840 . 1 1 69 69 ARG C C 13 175.7 0.2 . 1 . . . . 69 ARG C . 17020 1 841 . 1 1 69 69 ARG CA C 13 55.4 0.2 . 1 . . . . 69 ARG CA . 17020 1 842 . 1 1 69 69 ARG CB C 13 31.8 0.2 . 1 . . . . 69 ARG CB . 17020 1 843 . 1 1 69 69 ARG CD C 13 43.4 0.2 . 1 . . . . 69 ARG CD . 17020 1 844 . 1 1 69 69 ARG CG C 13 26.5 0.2 . 1 . . . . 69 ARG CG . 17020 1 845 . 1 1 69 69 ARG N N 15 122.9 0.2 . 1 . . . . 69 ARG N . 17020 1 846 . 1 1 69 69 ARG NE N 15 84.6 0.2 . 1 . . . . 69 ARG NE . 17020 1 847 . 1 1 70 70 ASN H H 1 8.52 0.02 . 1 . . . . 70 ASN H . 17020 1 848 . 1 1 70 70 ASN HA H 1 4.81 0.02 . 1 . . . . 70 ASN HA . 17020 1 849 . 1 1 70 70 ASN HB2 H 1 2.75 0.02 . 2 . . . . 70 ASN HB2 . 17020 1 850 . 1 1 70 70 ASN HB3 H 1 2.62 0.02 . 2 . . . . 70 ASN HB3 . 17020 1 851 . 1 1 70 70 ASN HD21 H 1 7.51 0.02 . 2 . . . . 70 ASN HD21 . 17020 1 852 . 1 1 70 70 ASN HD22 H 1 6.87 0.02 . 2 . . . . 70 ASN HD22 . 17020 1 853 . 1 1 70 70 ASN C C 13 175.4 0.2 . 1 . . . . 70 ASN C . 17020 1 854 . 1 1 70 70 ASN CA C 13 52.6 0.2 . 1 . . . . 70 ASN CA . 17020 1 855 . 1 1 70 70 ASN CB C 13 39.3 0.2 . 1 . . . . 70 ASN CB . 17020 1 856 . 1 1 70 70 ASN N N 15 122.6 0.2 . 1 . . . . 70 ASN N . 17020 1 857 . 1 1 70 70 ASN ND2 N 15 112.1 0.2 . 1 . . . . 70 ASN ND2 . 17020 1 858 . 1 1 71 71 GLY H H 1 8.90 0.02 . 1 . . . . 71 GLY H . 17020 1 859 . 1 1 71 71 GLY HA2 H 1 4.07 0.02 . 2 . . . . 71 GLY HA2 . 17020 1 860 . 1 1 71 71 GLY HA3 H 1 3.71 0.02 . 2 . . . . 71 GLY HA3 . 17020 1 861 . 1 1 71 71 GLY C C 13 174.7 0.2 . 1 . . . . 71 GLY C . 17020 1 862 . 1 1 71 71 GLY CA C 13 46.7 0.2 . 1 . . . . 71 GLY CA . 17020 1 863 . 1 1 71 71 GLY N N 15 114.4 0.2 . 1 . . . . 71 GLY N . 17020 1 864 . 1 1 72 72 SER H H 1 8.76 0.02 . 1 . . . . 72 SER H . 17020 1 865 . 1 1 72 72 SER HA H 1 4.41 0.02 . 1 . . . . 72 SER HA . 17020 1 866 . 1 1 72 72 SER HB2 H 1 4.01 0.02 . 2 . . . . 72 SER HB2 . 17020 1 867 . 1 1 72 72 SER HB3 H 1 3.9 0.02 . 2 . . . . 72 SER HB3 . 17020 1 868 . 1 1 72 72 SER C C 13 174.1 0.2 . 1 . . . . 72 SER C . 17020 1 869 . 1 1 72 72 SER CA C 13 58.9 0.2 . 1 . . . . 72 SER CA . 17020 1 870 . 1 1 72 72 SER CB C 13 63.8 0.2 . 1 . . . . 72 SER CB . 17020 1 871 . 1 1 72 72 SER N N 15 120.2 0.2 . 1 . . . . 72 SER N . 17020 1 872 . 1 1 73 73 LYS H H 1 7.89 0.02 . 1 . . . . 73 LYS H . 17020 1 873 . 1 1 73 73 LYS HA H 1 4.52 0.02 . 1 . . . . 73 LYS HA . 17020 1 874 . 1 1 73 73 LYS HB2 H 1 1.85 0.02 . 2 . . . . 73 LYS HB2 . 17020 1 875 . 1 1 73 73 LYS HB3 H 1 1.85 0.02 . 2 . . . . 73 LYS HB3 . 17020 1 876 . 1 1 73 73 LYS HD2 H 1 1.68 0.02 . 2 . . . . 73 LYS HD2 . 17020 1 877 . 1 1 73 73 LYS HD3 H 1 1.68 0.02 . 2 . . . . 73 LYS HD3 . 17020 1 878 . 1 1 73 73 LYS HE2 H 1 2.91 0.02 . 2 . . . . 73 LYS HE2 . 17020 1 879 . 1 1 73 73 LYS HE3 H 1 2.91 0.02 . 2 . . . . 73 LYS HE3 . 17020 1 880 . 1 1 73 73 LYS HG2 H 1 1.45 0.02 . 2 . . . . 73 LYS HG2 . 17020 1 881 . 1 1 73 73 LYS HG3 H 1 1.45 0.02 . 2 . . . . 73 LYS HG3 . 17020 1 882 . 1 1 73 73 LYS C C 13 175.3 0.2 . 1 . . . . 73 LYS C . 17020 1 883 . 1 1 73 73 LYS CA C 13 55.6 0.2 . 1 . . . . 73 LYS CA . 17020 1 884 . 1 1 73 73 LYS CB C 13 34.1 0.2 . 1 . . . . 73 LYS CB . 17020 1 885 . 1 1 73 73 LYS CD C 13 29.3 0.2 . 1 . . . . 73 LYS CD . 17020 1 886 . 1 1 73 73 LYS CE C 13 42 0.2 . 1 . . . . 73 LYS CE . 17020 1 887 . 1 1 73 73 LYS CG C 13 24.8 0.2 . 1 . . . . 73 LYS CG . 17020 1 888 . 1 1 73 73 LYS N N 15 121.8 0.2 . 1 . . . . 73 LYS N . 17020 1 889 . 1 1 74 74 LEU H H 1 8.51 0.02 . 1 . . . . 74 LEU H . 17020 1 890 . 1 1 74 74 LEU HA H 1 4.89 0.02 . 1 . . . . 74 LEU HA . 17020 1 891 . 1 1 74 74 LEU HB2 H 1 1.58 0.02 . 2 . . . . 74 LEU HB2 . 17020 1 892 . 1 1 74 74 LEU HB3 H 1 1.48 0.02 . 2 . . . . 74 LEU HB3 . 17020 1 893 . 1 1 74 74 LEU HD11 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17020 1 894 . 1 1 74 74 LEU HD12 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17020 1 895 . 1 1 74 74 LEU HD13 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17020 1 896 . 1 1 74 74 LEU HD21 H 1 0.78 0.02 . 2 . . . . 74 LEU HD2 . 17020 1 897 . 1 1 74 74 LEU HD22 H 1 0.78 0.02 . 2 . . . . 74 LEU HD2 . 17020 1 898 . 1 1 74 74 LEU HD23 H 1 0.78 0.02 . 2 . . . . 74 LEU HD2 . 17020 1 899 . 1 1 74 74 LEU HG H 1 1.64 0.02 . 1 . . . . 74 LEU HG . 17020 1 900 . 1 1 74 74 LEU C C 13 176.4 0.2 . 1 . . . . 74 LEU C . 17020 1 901 . 1 1 74 74 LEU CA C 13 54.8 0.2 . 1 . . . . 74 LEU CA . 17020 1 902 . 1 1 74 74 LEU CB C 13 43.5 0.2 . 1 . . . . 74 LEU CB . 17020 1 903 . 1 1 74 74 LEU CD1 C 13 24.5 0.2 . 2 . . . . 74 LEU CD1 . 17020 1 904 . 1 1 74 74 LEU CD2 C 13 24.5 0.2 . 2 . . . . 74 LEU CD2 . 17020 1 905 . 1 1 74 74 LEU CG C 13 27.3 0.2 . 1 . . . . 74 LEU CG . 17020 1 906 . 1 1 74 74 LEU N N 15 125.5 0.2 . 1 . . . . 74 LEU N . 17020 1 907 . 1 1 75 75 HIS H H 1 8.91 0.02 . 1 . . . . 75 HIS H . 17020 1 908 . 1 1 75 75 HIS HA H 1 5.02 0.02 . 1 . . . . 75 HIS HA . 17020 1 909 . 1 1 75 75 HIS HB2 H 1 3.31 0.02 . 2 . . . . 75 HIS HB2 . 17020 1 910 . 1 1 75 75 HIS HB3 H 1 3.18 0.02 . 2 . . . . 75 HIS HB3 . 17020 1 911 . 1 1 75 75 HIS HD1 H 1 7.24 0.02 . 1 . . . . 75 HIS HD1 . 17020 1 912 . 1 1 75 75 HIS C C 13 173.2 0.2 . 1 . . . . 75 HIS C . 17020 1 913 . 1 1 75 75 HIS CA C 13 54.9 0.2 . 1 . . . . 75 HIS CA . 17020 1 914 . 1 1 75 75 HIS CB C 13 30.8 0.2 . 1 . . . . 75 HIS CB . 17020 1 915 . 1 1 75 75 HIS N N 15 122.7 0.2 . 1 . . . . 75 HIS N . 17020 1 916 . 1 1 76 76 SER H H 1 8.81 0.02 . 1 . . . . 76 SER H . 17020 1 917 . 1 1 76 76 SER HA H 1 5.16 0.02 . 1 . . . . 76 SER HA . 17020 1 918 . 1 1 76 76 SER HB2 H 1 3.72 0.02 . 2 . . . . 76 SER HB2 . 17020 1 919 . 1 1 76 76 SER HB3 H 1 3.66 0.02 . 2 . . . . 76 SER HB3 . 17020 1 920 . 1 1 76 76 SER C C 13 173.1 0.2 . 1 . . . . 76 SER C . 17020 1 921 . 1 1 76 76 SER CA C 13 58.1 0.2 . 1 . . . . 76 SER CA . 17020 1 922 . 1 1 76 76 SER CB C 13 64.6 0.2 . 1 . . . . 76 SER CB . 17020 1 923 . 1 1 76 76 SER N N 15 119.4 0.2 . 1 . . . . 76 SER N . 17020 1 924 . 1 1 77 77 GLU H H 1 8.89 0.02 . 1 . . . . 77 GLU H . 17020 1 925 . 1 1 77 77 GLU HA H 1 5.31 0.02 . 1 . . . . 77 GLU HA . 17020 1 926 . 1 1 77 77 GLU HB2 H 1 2.13 0.02 . 2 . . . . 77 GLU HB2 . 17020 1 927 . 1 1 77 77 GLU HB3 H 1 1.6 0.02 . 2 . . . . 77 GLU HB3 . 17020 1 928 . 1 1 77 77 GLU HG2 H 1 2.08 0.02 . 2 . . . . 77 GLU HG2 . 17020 1 929 . 1 1 77 77 GLU HG3 H 1 2.08 0.02 . 2 . . . . 77 GLU HG3 . 17020 1 930 . 1 1 77 77 GLU C C 13 174.6 0.2 . 1 . . . . 77 GLU C . 17020 1 931 . 1 1 77 77 GLU CA C 13 54.4 0.2 . 1 . . . . 77 GLU CA . 17020 1 932 . 1 1 77 77 GLU CB C 13 34.0 0.2 . 1 . . . . 77 GLU CB . 17020 1 933 . 1 1 77 77 GLU CG C 13 35.3 0.2 . 1 . . . . 77 GLU CG . 17020 1 934 . 1 1 77 77 GLU N N 15 123.7 0.2 . 1 . . . . 77 GLU N . 17020 1 935 . 1 1 78 78 ILE H H 1 9.57 0.02 . 1 . . . . 78 ILE H . 17020 1 936 . 1 1 78 78 ILE HA H 1 6.06 0.02 . 1 . . . . 78 ILE HA . 17020 1 937 . 1 1 78 78 ILE HB H 1 1.89 0.02 . 1 . . . . 78 ILE HB . 17020 1 938 . 1 1 78 78 ILE HD11 H 1 0.94 0.02 . 1 . . . . 78 ILE HD1 . 17020 1 939 . 1 1 78 78 ILE HD12 H 1 0.94 0.02 . 1 . . . . 78 ILE HD1 . 17020 1 940 . 1 1 78 78 ILE HD13 H 1 0.94 0.02 . 1 . . . . 78 ILE HD1 . 17020 1 941 . 1 1 78 78 ILE HG12 H 1 1.52 0.02 . 2 . . . . 78 ILE HG12 . 17020 1 942 . 1 1 78 78 ILE HG13 H 1 1.17 0.02 . 2 . . . . 78 ILE HG13 . 17020 1 943 . 1 1 78 78 ILE HG21 H 1 0.98 0.02 . 1 . . . . 78 ILE HG2 . 17020 1 944 . 1 1 78 78 ILE HG22 H 1 0.98 0.02 . 1 . . . . 78 ILE HG2 . 17020 1 945 . 1 1 78 78 ILE HG23 H 1 0.98 0.02 . 1 . . . . 78 ILE HG2 . 17020 1 946 . 1 1 78 78 ILE C C 13 173.7 0.2 . 1 . . . . 78 ILE C . 17020 1 947 . 1 1 78 78 ILE CA C 13 58.9 0.2 . 1 . . . . 78 ILE CA . 17020 1 948 . 1 1 78 78 ILE CB C 13 43.1 0.2 . 1 . . . . 78 ILE CB . 17020 1 949 . 1 1 78 78 ILE CD1 C 13 14.9 0.2 . 1 . . . . 78 ILE CD1 . 17020 1 950 . 1 1 78 78 ILE CG1 C 13 25.1 0.2 . 1 . . . . 78 ILE CG1 . 17020 1 951 . 1 1 78 78 ILE CG2 C 13 19.2 0.2 . 1 . . . . 78 ILE CG2 . 17020 1 952 . 1 1 78 78 ILE N N 15 113.2 0.2 . 1 . . . . 78 ILE N . 17020 1 953 . 1 1 79 79 ARG H H 1 8.57 0.02 . 1 . . . . 79 ARG H . 17020 1 954 . 1 1 79 79 ARG HA H 1 4.64 0.02 . 1 . . . . 79 ARG HA . 17020 1 955 . 1 1 79 79 ARG HB2 H 1 1.19 0.02 . 2 . . . . 79 ARG HB2 . 17020 1 956 . 1 1 79 79 ARG HB3 H 1 0.86 0.02 . 2 . . . . 79 ARG HB3 . 17020 1 957 . 1 1 79 79 ARG HD2 H 1 1.85 0.02 . 2 . . . . 79 ARG HD2 . 17020 1 958 . 1 1 79 79 ARG HD3 H 1 0.93 0.02 . 2 . . . . 79 ARG HD3 . 17020 1 959 . 1 1 79 79 ARG HE H 1 6.43 0.02 . 1 . . . . 79 ARG HE . 17020 1 960 . 1 1 79 79 ARG HG2 H 1 0.65 0.02 . 2 . . . . 79 ARG HG2 . 17020 1 961 . 1 1 79 79 ARG HG3 H 1 0.65 0.02 . 2 . . . . 79 ARG HG3 . 17020 1 962 . 1 1 79 79 ARG C C 13 174.4 0.2 . 1 . . . . 79 ARG C . 17020 1 963 . 1 1 79 79 ARG CA C 13 54.4 0.2 . 1 . . . . 79 ARG CA . 17020 1 964 . 1 1 79 79 ARG CB C 13 33.0 0.2 . 1 . . . . 79 ARG CB . 17020 1 965 . 1 1 79 79 ARG CD C 13 42.9 0.2 . 1 . . . . 79 ARG CD . 17020 1 966 . 1 1 79 79 ARG CG C 13 25.3 0.2 . 1 . . . . 79 ARG CG . 17020 1 967 . 1 1 79 79 ARG N N 15 117.5 0.2 . 1 . . . . 79 ARG N . 17020 1 968 . 1 1 79 79 ARG NE N 15 85.1 0.2 . 1 . . . . 79 ARG NE . 17020 1 969 . 1 1 80 80 LEU H H 1 8.63 0.02 . 1 . . . . 80 LEU H . 17020 1 970 . 1 1 80 80 LEU HA H 1 4.49 0.02 . 1 . . . . 80 LEU HA . 17020 1 971 . 1 1 80 80 LEU HB2 H 1 1.57 0.02 . 2 . . . . 80 LEU HB2 . 17020 1 972 . 1 1 80 80 LEU HB3 H 1 1.47 0.02 . 2 . . . . 80 LEU HB3 . 17020 1 973 . 1 1 80 80 LEU HD11 H 1 0.65 0.02 . 1 . . . . 80 LEU HD1 . 17020 1 974 . 1 1 80 80 LEU HD12 H 1 0.65 0.02 . 1 . . . . 80 LEU HD1 . 17020 1 975 . 1 1 80 80 LEU HD13 H 1 0.65 0.02 . 1 . . . . 80 LEU HD1 . 17020 1 976 . 1 1 80 80 LEU HD21 H 1 1 0.02 . 1 . . . . 80 LEU HD2 . 17020 1 977 . 1 1 80 80 LEU HD22 H 1 1 0.02 . 1 . . . . 80 LEU HD2 . 17020 1 978 . 1 1 80 80 LEU HD23 H 1 1 0.02 . 1 . . . . 80 LEU HD2 . 17020 1 979 . 1 1 80 80 LEU HG H 1 1.07 0.02 . 1 . . . . 80 LEU HG . 17020 1 980 . 1 1 80 80 LEU C C 13 177.3 0.2 . 1 . . . . 80 LEU C . 17020 1 981 . 1 1 80 80 LEU CA C 13 55.4 0.2 . 1 . . . . 80 LEU CA . 17020 1 982 . 1 1 80 80 LEU CB C 13 41.6 0.2 . 1 . . . . 80 LEU CB . 17020 1 983 . 1 1 80 80 LEU CD1 C 13 24.9 0.2 . 1 . . . . 80 LEU CD1 . 17020 1 984 . 1 1 80 80 LEU CD2 C 13 23.3 0.2 . 1 . . . . 80 LEU CD2 . 17020 1 985 . 1 1 80 80 LEU CG C 13 25.9 0.2 . 1 . . . . 80 LEU CG . 17020 1 986 . 1 1 80 80 LEU N N 15 121.1 0.2 . 1 . . . . 80 LEU N . 17020 1 987 . 1 1 81 81 ARG H H 1 8.20 0.02 . 1 . . . . 81 ARG H . 17020 1 988 . 1 1 81 81 ARG HA H 1 3.91 0.02 . 1 . . . . 81 ARG HA . 17020 1 989 . 1 1 81 81 ARG HB2 H 1 1.44 0.02 . 2 . . . . 81 ARG HB2 . 17020 1 990 . 1 1 81 81 ARG HB3 H 1 1.35 0.02 . 2 . . . . 81 ARG HB3 . 17020 1 991 . 1 1 81 81 ARG HD2 H 1 3.13 0.02 . 2 . . . . 81 ARG HD2 . 17020 1 992 . 1 1 81 81 ARG HD3 H 1 3.08 0.02 . 2 . . . . 81 ARG HD3 . 17020 1 993 . 1 1 81 81 ARG HE H 1 6.76 0.02 . 1 . . . . 81 ARG HE . 17020 1 994 . 1 1 81 81 ARG HG2 H 1 1.3 0.02 . 2 . . . . 81 ARG HG2 . 17020 1 995 . 1 1 81 81 ARG HG3 H 1 1.3 0.02 . 2 . . . . 81 ARG HG3 . 17020 1 996 . 1 1 81 81 ARG C C 13 176.2 0.2 . 1 . . . . 81 ARG C . 17020 1 997 . 1 1 81 81 ARG CA C 13 57.5 0.2 . 1 . . . . 81 ARG CA . 17020 1 998 . 1 1 81 81 ARG CB C 13 30.9 0.2 . 1 . . . . 81 ARG CB . 17020 1 999 . 1 1 81 81 ARG CD C 13 43.4 0.2 . 1 . . . . 81 ARG CD . 17020 1 1000 . 1 1 81 81 ARG CG C 13 27.2 0.2 . 1 . . . . 81 ARG CG . 17020 1 1001 . 1 1 81 81 ARG N N 15 124.1 0.2 . 1 . . . . 81 ARG N . 17020 1 1002 . 1 1 81 81 ARG NE N 15 83.9 0.2 . 1 . . . . 81 ARG NE . 17020 1 1003 . 1 1 82 82 HIS H H 1 8.61 0.02 . 1 . . . . 82 HIS H . 17020 1 1004 . 1 1 82 82 HIS HA H 1 4.71 0.02 . 1 . . . . 82 HIS HA . 17020 1 1005 . 1 1 82 82 HIS HB2 H 1 3.21 0.02 . 2 . . . . 82 HIS HB2 . 17020 1 1006 . 1 1 82 82 HIS HB3 H 1 3.08 0.02 . 2 . . . . 82 HIS HB3 . 17020 1 1007 . 1 1 82 82 HIS C C 13 173.7 0.2 . 1 . . . . 82 HIS C . 17020 1 1008 . 1 1 82 82 HIS CA C 13 55.0 0.2 . 1 . . . . 82 HIS CA . 17020 1 1009 . 1 1 82 82 HIS CB C 13 29.3 0.2 . 1 . . . . 82 HIS CB . 17020 1 1010 . 1 1 82 82 HIS N N 15 119.0 0.2 . 1 . . . . 82 HIS N . 17020 1 1011 . 1 1 83 83 ASP H H 1 8.35 0.02 . 1 . . . . 83 ASP H . 17020 1 1012 . 1 1 83 83 ASP HA H 1 4.58 0.02 . 1 . . . . 83 ASP HA . 17020 1 1013 . 1 1 83 83 ASP HB2 H 1 2.66 0.02 . 2 . . . . 83 ASP HB2 . 17020 1 1014 . 1 1 83 83 ASP HB3 H 1 2.66 0.02 . 2 . . . . 83 ASP HB3 . 17020 1 1015 . 1 1 83 83 ASP C C 13 176.5 0.2 . 1 . . . . 83 ASP C . 17020 1 1016 . 1 1 83 83 ASP CA C 13 54.4 0.2 . 1 . . . . 83 ASP CA . 17020 1 1017 . 1 1 83 83 ASP CB C 13 41.3 0.2 . 1 . . . . 83 ASP CB . 17020 1 1018 . 1 1 83 83 ASP N N 15 122.2 0.2 . 1 . . . . 83 ASP N . 17020 1 1019 . 1 1 84 84 GLY H H 1 8.43 0.02 . 1 . . . . 84 GLY H . 17020 1 1020 . 1 1 84 84 GLY HA2 H 1 3.96 0.02 . 2 . . . . 84 GLY HA2 . 17020 1 1021 . 1 1 84 84 GLY HA3 H 1 3.9 0.02 . 2 . . . . 84 GLY HA3 . 17020 1 1022 . 1 1 84 84 GLY C C 13 174.3 0.2 . 1 . . . . 84 GLY C . 17020 1 1023 . 1 1 84 84 GLY CA C 13 45.6 0.2 . 1 . . . . 84 GLY CA . 17020 1 1024 . 1 1 84 84 GLY N N 15 109.7 0.2 . 1 . . . . 84 GLY N . 17020 1 1025 . 1 1 85 85 LEU H H 1 8.12 0.02 . 1 . . . . 85 LEU H . 17020 1 1026 . 1 1 85 85 LEU HA H 1 4.22 0.02 . 1 . . . . 85 LEU HA . 17020 1 1027 . 1 1 85 85 LEU HB2 H 1 1.53 0.02 . 2 . . . . 85 LEU HB2 . 17020 1 1028 . 1 1 85 85 LEU HB3 H 1 1.47 0.02 . 2 . . . . 85 LEU HB3 . 17020 1 1029 . 1 1 85 85 LEU HD11 H 1 0.84 0.02 . 1 . . . . 85 LEU HD1 . 17020 1 1030 . 1 1 85 85 LEU HD12 H 1 0.84 0.02 . 1 . . . . 85 LEU HD1 . 17020 1 1031 . 1 1 85 85 LEU HD13 H 1 0.84 0.02 . 1 . . . . 85 LEU HD1 . 17020 1 1032 . 1 1 85 85 LEU HD21 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 17020 1 1033 . 1 1 85 85 LEU HD22 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 17020 1 1034 . 1 1 85 85 LEU HD23 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 17020 1 1035 . 1 1 85 85 LEU HG H 1 1.52 0.02 . 1 . . . . 85 LEU HG . 17020 1 1036 . 1 1 85 85 LEU C C 13 177.4 0.2 . 1 . . . . 85 LEU C . 17020 1 1037 . 1 1 85 85 LEU CA C 13 55.3 0.2 . 1 . . . . 85 LEU CA . 17020 1 1038 . 1 1 85 85 LEU CB C 13 42.1 0.2 . 1 . . . . 85 LEU CB . 17020 1 1039 . 1 1 85 85 LEU CD1 C 13 25 0.2 . 1 . . . . 85 LEU CD1 . 17020 1 1040 . 1 1 85 85 LEU CD2 C 13 23.3 0.2 . 1 . . . . 85 LEU CD2 . 17020 1 1041 . 1 1 85 85 LEU CG C 13 27 0.2 . 1 . . . . 85 LEU CG . 17020 1 1042 . 1 1 85 85 LEU N N 15 121.2 0.2 . 1 . . . . 85 LEU N . 17020 1 1043 . 1 1 86 86 GLU H H 1 8.33 0.02 . 1 . . . . 86 GLU H . 17020 1 1044 . 1 1 86 86 GLU HA H 1 4.13 0.02 . 1 . . . . 86 GLU HA . 17020 1 1045 . 1 1 86 86 GLU HB2 H 1 1.86 0.02 . 2 . . . . 86 GLU HB2 . 17020 1 1046 . 1 1 86 86 GLU HB3 H 1 1.86 0.02 . 2 . . . . 86 GLU HB3 . 17020 1 1047 . 1 1 86 86 GLU HG2 H 1 2.19 0.02 . 2 . . . . 86 GLU HG2 . 17020 1 1048 . 1 1 86 86 GLU HG3 H 1 2.12 0.02 . 2 . . . . 86 GLU HG3 . 17020 1 1049 . 1 1 86 86 GLU C C 13 176.2 0.2 . 1 . . . . 86 GLU C . 17020 1 1050 . 1 1 86 86 GLU CA C 13 56.7 0.2 . 1 . . . . 86 GLU CA . 17020 1 1051 . 1 1 86 86 GLU CB C 13 29.8 0.2 . 1 . . . . 86 GLU CB . 17020 1 1052 . 1 1 86 86 GLU CG C 13 35.6 0.2 . 1 . . . . 86 GLU CG . 17020 1 1053 . 1 1 86 86 GLU N N 15 120.4 0.2 . 1 . . . . 86 GLU N . 17020 1 1054 . 1 1 87 87 HIS H H 1 8.41 0.02 . 1 . . . . 87 HIS H . 17020 1 1055 . 1 1 87 87 HIS HA H 1 4.61 0.02 . 1 . . . . 87 HIS HA . 17020 1 1056 . 1 1 87 87 HIS HB2 H 1 3.16 0.02 . 2 . . . . 87 HIS HB2 . 17020 1 1057 . 1 1 87 87 HIS HB3 H 1 3.06 0.02 . 2 . . . . 87 HIS HB3 . 17020 1 1058 . 1 1 87 87 HIS C C 13 174.2 0.2 . 1 . . . . 87 HIS C . 17020 1 1059 . 1 1 87 87 HIS CA C 13 55.3 0.2 . 1 . . . . 87 HIS CA . 17020 1 1060 . 1 1 87 87 HIS CB C 13 28.7 0.2 . 1 . . . . 87 HIS CB . 17020 1 1061 . 1 1 87 87 HIS N N 15 118.9 0.2 . 1 . . . . 87 HIS N . 17020 1 1062 . 1 1 88 88 HIS H H 1 8.49 0.02 . 1 . . . . 88 HIS H . 17020 1 1063 . 1 1 88 88 HIS HA H 1 4.66 0.02 . 1 . . . . 88 HIS HA . 17020 1 1064 . 1 1 88 88 HIS HB2 H 1 3.15 0.02 . 2 . . . . 88 HIS HB2 . 17020 1 1065 . 1 1 88 88 HIS HB3 H 1 3.15 0.02 . 2 . . . . 88 HIS HB3 . 17020 1 1066 . 1 1 88 88 HIS C C 13 173.5 0.2 . 1 . . . . 88 HIS C . 17020 1 1067 . 1 1 88 88 HIS CA C 13 55.5 0.2 . 1 . . . . 88 HIS CA . 17020 1 1068 . 1 1 88 88 HIS CB C 13 29.6 0.2 . 1 . . . . 88 HIS CB . 17020 1 1069 . 1 1 88 88 HIS N N 15 118.9 0.2 . 1 . . . . 88 HIS N . 17020 1 1070 . 1 1 89 89 HIS H H 1 8.68 0.02 . 1 . . . . 89 HIS H . 17020 1 1071 . 1 1 89 89 HIS HA H 1 4.63 0.02 . 1 . . . . 89 HIS HA . 17020 1 1072 . 1 1 89 89 HIS HB2 H 1 3.18 0.02 . 2 . . . . 89 HIS HB2 . 17020 1 1073 . 1 1 89 89 HIS HB3 H 1 3.09 0.02 . 2 . . . . 89 HIS HB3 . 17020 1 1074 . 1 1 89 89 HIS C C 13 174.2 0.2 . 1 . . . . 89 HIS C . 17020 1 1075 . 1 1 89 89 HIS CA C 13 55.2 0.2 . 1 . . . . 89 HIS CA . 17020 1 1076 . 1 1 89 89 HIS CB C 13 29.0 0.2 . 1 . . . . 89 HIS CB . 17020 1 1077 . 1 1 89 89 HIS N N 15 120.3 0.2 . 1 . . . . 89 HIS N . 17020 1 1078 . 1 1 90 90 HIS H H 1 8.62 0.02 . 1 . . . . 90 HIS H . 17020 1 1079 . 1 1 90 90 HIS HA H 1 4.67 0.02 . 1 . . . . 90 HIS HA . 17020 1 1080 . 1 1 90 90 HIS HB2 H 1 3.17 0.02 . 2 . . . . 90 HIS HB2 . 17020 1 1081 . 1 1 90 90 HIS HB3 H 1 3.17 0.02 . 2 . . . . 90 HIS HB3 . 17020 1 1082 . 1 1 90 90 HIS C C 13 174.0 0.2 . 1 . . . . 90 HIS C . 17020 1 1083 . 1 1 90 90 HIS CA C 13 55.2 0.2 . 1 . . . . 90 HIS CA . 17020 1 1084 . 1 1 90 90 HIS CB C 13 29.2 0.2 . 1 . . . . 90 HIS CB . 17020 1 1085 . 1 1 90 90 HIS N N 15 119.6 0.2 . 1 . . . . 90 HIS N . 17020 1 1086 . 1 1 91 91 HIS H H 1 8.58 0.02 . 1 . . . . 91 HIS H . 17020 1 1087 . 1 1 91 91 HIS HA H 1 4.65 0.02 . 1 . . . . 91 HIS HA . 17020 1 1088 . 1 1 91 91 HIS HB2 H 1 3.23 0.02 . 2 . . . . 91 HIS HB2 . 17020 1 1089 . 1 1 91 91 HIS HB3 H 1 3.23 0.02 . 2 . . . . 91 HIS HB3 . 17020 1 1090 . 1 1 91 91 HIS C C 13 173.5 0.2 . 1 . . . . 91 HIS C . 17020 1 1091 . 1 1 91 91 HIS CA C 13 55.5 0.2 . 1 . . . . 91 HIS CA . 17020 1 1092 . 1 1 91 91 HIS CB C 13 29.4 0.2 . 1 . . . . 91 HIS CB . 17020 1 1093 . 1 1 91 91 HIS N N 15 120.6 0.2 . 1 . . . . 91 HIS N . 17020 1 1094 . 1 1 92 92 HIS H H 1 8.40 0.02 . 1 . . . . 92 HIS H . 17020 1 1095 . 1 1 92 92 HIS HA H 1 4.65 0.02 . 1 . . . . 92 HIS HA . 17020 1 1096 . 1 1 92 92 HIS HB2 H 1 3.23 0.02 . 2 . . . . 92 HIS HB2 . 17020 1 1097 . 1 1 92 92 HIS HB3 H 1 3.14 0.02 . 2 . . . . 92 HIS HB3 . 17020 1 1098 . 1 1 92 92 HIS CA C 13 57.2 0.2 . 1 . . . . 92 HIS CA . 17020 1 1099 . 1 1 92 92 HIS CB C 13 29.6 0.2 . 1 . . . . 92 HIS CB . 17020 1 1100 . 1 1 92 92 HIS N N 15 125.6 0.2 . 1 . . . . 92 HIS N . 17020 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_Nnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Nnoesy.list _Spectral_peak_list.Entry_ID 17020 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _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 105.343 0.933 10.109 8410316 105.343 1.869 10.103 7165120 105.343 5.997 10.105 8648439 105.343 6.465 10.106 6354036 105.343 7.375 10.108 93363184 105.343 7.092 10.108 136309808 105.343 6.424 10.106 5521770 105.595 4.112 10.281 3789040 105.625 4.513 10.273 6427972 105.635 2.560 10.272 6432042 105.643 7.073 10.277 7670444 105.644 7.211 10.276 44180328 105.645 7.502 10.275 23232178 106.741 8.057 9.050 41057776 106.745 4.005 9.052 67677448 106.747 0.957 9.052 22870146 106.748 0.796 9.052 22137960 106.748 8.121 9.051 30426778 106.751 4.253 9.049 11451742 106.752 7.200 9.058 5438634 106.753 3.547 9.051 38241728 106.754 2.391 9.050 40303504 106.772 3.428 9.052 7283506 106.780 1.661 9.056 3229038 107.285 8.348 7.789 16337548 107.286 3.697 7.790 6682486 107.297 3.969 7.790 72063696 107.305 4.655 7.792 27840518 107.317 4.138 7.792 13775772 107.363 3.029 7.802 6210094 107.558 1.455 6.762 6212248 107.614 1.322 6.763 18124550 107.618 3.093 6.764 31069316 107.667 7.397 6.772 16577233 107.684 1.683 8.598 5174757 107.684 3.288 8.594 21458720 107.690 3.955 8.594 83469600 107.691 4.619 8.593 72293352 107.692 4.055 8.593 79389224 107.698 7.815 8.594 45580952 107.726 3.041 8.590 8984035 107.744 8.147 7.434 3831074 107.762 4.181 7.430 11731383 107.773 0.888 7.433 41553964 107.773 8.467 7.434 56172564 107.774 0.773 7.433 57062324 107.777 1.252 7.432 37736616 107.779 4.627 7.430 21067914 107.782 2.373 7.431 14520352 107.783 3.210 7.431 7422108 108.270 2.049 7.321 10378796 108.274 3.312 7.320 30821598 108.274 3.380 7.321 22541234 108.274 1.806 7.188 4116504 108.277 1.660 7.183 4742642 108.293 1.866 7.323 7467321 108.296 2.262 7.321 5069392 108.312 1.681 7.026 10473742 108.318 3.099 7.023 23214972 108.375 2.013 7.021 4505588 108.386 3.264 7.581 30684982 108.390 3.165 7.582 34056516 108.392 1.693 7.581 55540028 108.392 1.758 7.582 60904512 108.400 8.532 7.583 11896041 108.769 7.198 7.996 5606651 108.813 0.906 6.429 10844900 108.816 0.678 6.431 18600254 108.823 1.873 6.431 18467318 108.864 1.199 6.430 9451952 108.881 2.475 7.999 3475920 108.897 3.650 8.001 9929009 108.915 0.853 8.000 76008664 108.917 1.707 8.002 8258953 108.917 2.161 8.000 39396424 108.921 6.864 8.002 28708664 108.921 1.980 8.001 21527774 108.923 0.976 8.001 104950200 108.928 0.174 8.000 4979448 108.935 4.189 7.998 4567485 108.935 3.535 8.001 33193752 109.731 2.665 8.429 47610364 109.733 4.575 8.429 138600544 109.737 3.903 8.431 154358704 109.737 3.957 8.429 136868624 109.815 6.837 5.988 12236310 109.821 6.475 5.988 259128144 109.838 1.624 6.483 15175691 109.846 1.787 6.481 12214113 109.861 1.779 5.988 3937109 109.862 1.620 5.991 4988240 109.864 6.850 6.488 16589880 109.884 6.015 6.488 350168512 109.890 7.438 6.489 17594646 109.929 2.724 6.373 5661068 109.931 -0.087 6.367 10637455 109.960 2.879 6.366 27526838 109.962 3.504 6.369 13016497 109.964 8.673 6.368 25659632 109.968 7.162 6.368 59624948 109.969 4.309 6.368 12922474 109.976 4.774 6.369 23825466 109.976 7.374 6.367 50292796 109.998 8.009 6.371 9213237 110.007 1.133 6.370 6282340 110.185 1.658 6.708 3709117 110.196 1.643 7.387 5062027 110.214 1.834 6.710 11386490 110.223 2.886 7.392 4620124 110.223 1.830 7.392 20461686 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8.902 9.206 19399994 126.827 6.888 9.206 13036947 126.829 1.442 9.203 13574867 126.840 8.721 9.204 6455922 126.841 0.741 9.206 9455040 126.848 2.100 9.205 3361892 126.853 0.982 9.206 8882788 126.867 1.774 9.205 5337548 127.983 2.065 8.782 33113724 127.996 3.949 8.785 17326288 128.010 0.920 8.783 10911289 128.014 4.419 8.783 55342104 128.016 5.310 8.784 20095644 128.027 2.392 8.781 8402972 128.028 1.284 8.782 33456182 128.042 9.139 8.784 15198079 128.045 9.577 8.777 3968908 128.220 8.063 8.779 6780892 ; 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 NH 1 2041.754 . . . 17020 1 2 H 1 H 2 10201.248 . . . 17020 1 3 H 1 HN 1 15243.902 . . . 17020 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17020 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 17020 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 14.747 6.084 0.936 3454532 14.759 4.499 0.787 6176858 14.837 2.888 0.791 11195069 14.860 1.514 0.796 19871408 14.861 8.625 0.792 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53.362 0.276 5.115 7061492 53.367 0.179 4.365 10667067 53.414 1.323 5.118 8073100 53.560 1.298 4.170 105473792 53.572 8.148 4.173 87718120 53.627 4.970 4.178 51361784 53.627 0.800 4.169 8726558 53.638 8.472 4.180 18860334 54.007 7.553 4.573 4984566 54.049 8.012 4.574 29115190 54.058 7.755 4.572 12542275 54.059 1.771 4.573 9208187 54.069 2.565 4.573 95291160 54.177 3.941 4.577 19298064 54.250 3.127 4.971 35147120 54.251 3.644 4.969 80940496 54.256 3.372 4.968 50183900 54.266 8.763 4.971 15478034 54.290 2.063 4.971 9068225 54.300 3.256 4.970 34410428 54.357 1.199 4.635 26178498 54.358 8.428 4.579 59680092 54.358 8.349 4.579 24360344 54.369 0.891 4.634 36251924 54.376 1.254 5.307 8205346 54.383 8.618 4.635 34692192 54.400 2.667 4.579 58822596 54.400 8.779 5.313 18988556 54.404 9.573 5.305 51460872 54.415 0.797 2.788 7910514 54.416 2.099 5.312 54261564 54.427 1.621 5.311 16819584 54.435 8.886 5.310 12796211 54.451 7.313 2.791 7556676 54.457 6.859 2.785 13014635 54.460 3.920 2.773 4280606 54.484 0.941 5.315 14176430 54.486 3.235 2.782 10000056 54.489 1.221 2.785 121101176 54.492 7.494 2.786 27495308 54.496 6.686 2.784 10086262 54.511 4.410 5.310 55578912 54.517 9.577 4.620 3873841 54.524 8.393 2.781 4214888 54.605 7.440 4.177 8451327 54.625 2.349 4.161 3759922 54.638 1.945 4.165 5197656 54.658 1.253 4.171 160584512 54.666 2.979 4.091 4553447 54.681 7.054 4.084 9966203 54.684 3.176 4.084 6991748 54.684 8.730 4.704 18828454 54.691 1.493 4.082 150555584 54.694 0.890 4.173 6180662 54.697 7.312 4.170 44241332 54.699 7.968 4.083 46436620 54.713 8.450 4.083 6514988 54.713 2.393 4.369 8612374 54.734 7.232 4.083 14226562 54.744 3.010 4.381 5179130 54.770 7.976 4.368 14785915 54.771 8.131 4.362 21468132 54.772 0.799 4.364 9594254 54.774 4.011 4.366 59863996 54.780 1.667 4.367 153289424 54.787 8.529 4.888 16457521 54.787 8.889 4.891 23751936 54.799 1.682 4.873 17278238 54.799 0.874 4.369 10120869 54.805 7.178 4.366 36901172 54.813 2.077 4.423 61056752 54.823 2.448 4.589 57454296 54.825 1.408 4.423 43408960 54.844 7.352 4.424 26215602 54.845 8.809 5.025 113105104 54.852 3.315 5.024 51319792 54.860 7.826 4.589 24456696 54.860 8.455 4.588 13459773 54.868 3.005 4.425 6047167 54.868 6.693 4.425 11607337 54.870 3.182 5.024 56168620 54.878 2.024 4.589 25062410 54.900 0.797 4.640 20306030 54.900 8.485 4.623 27226278 54.900 1.574 4.640 9458257 54.900 1.719 4.421 50427204 54.900 8.902 5.025 24746026 54.900 1.469 4.426 32347056 54.917 3.690 5.030 10790379 54.934 1.649 5.051 9944493 54.942 8.903 4.641 38608520 54.946 0.805 5.088 6398274 54.967 8.353 4.712 8319820 54.981 2.126 5.059 27520060 54.995 1.486 4.889 10423315 55.000 8.679 5.059 80530168 55.000 5.165 5.057 112024928 55.000 8.893 5.057 15853495 55.014 1.491 4.637 16380501 55.024 1.467 5.042 6055070 55.025 1.891 5.067 34233544 55.128 1.895 4.625 10800186 55.161 1.866 4.226 3744969 55.260 8.657 4.647 14955913 55.300 3.063 4.623 66795876 55.300 3.151 4.623 82919064 55.300 8.419 4.614 27634176 55.300 8.498 4.614 32905554 55.300 1.539 4.225 46619780 55.345 8.115 4.223 33563108 55.346 8.340 4.224 64544384 55.351 0.795 4.223 64334832 55.356 1.475 4.224 52630348 55.361 8.177 4.434 38542460 55.363 1.006 4.494 52946772 55.368 0.657 4.492 27265260 55.370 1.028 4.445 38626044 55.372 8.217 4.491 61609844 55.372 8.630 4.491 17106982 55.400 5.117 4.492 37938628 55.500 1.466 4.494 35092904 55.500 1.570 4.491 18910440 55.500 3.225 4.650 141843024 55.500 8.401 4.644 23229520 55.558 8.561 4.526 88677360 55.561 7.884 4.528 16422781 55.575 1.865 4.532 53328876 55.702 8.897 4.572 47752972 55.707 2.257 4.574 50861676 55.708 7.887 4.485 12751286 55.712 8.510 4.485 67527936 55.719 2.043 4.574 43851512 55.732 8.150 4.575 28984864 56.011 8.358 4.630 15112417 56.045 8.588 4.616 18435488 56.045 3.037 4.623 20605102 56.045 3.282 4.623 30917094 56.154 2.870 4.306 66626536 56.159 8.430 4.296 182390624 56.159 8.578 4.294 53697424 56.160 2.721 4.306 67391600 56.184 7.372 4.299 8072520 56.192 2.299 4.301 34436644 56.192 2.009 4.302 52710308 56.192 1.904 4.302 41099408 56.200 8.578 4.324 151112208 56.200 8.509 4.323 78539976 56.228 6.376 4.296 7129726 56.228 8.674 4.302 45510660 56.330 1.406 4.312 29741594 56.389 1.363 4.220 41616852 56.389 1.679 4.220 111649664 56.390 1.770 4.316 47780460 56.399 8.762 4.219 144066560 56.400 1.697 4.311 34060184 56.400 8.441 4.221 50543852 56.688 2.153 4.134 19760370 56.700 1.863 4.131 65577600 56.700 8.322 4.131 38130996 56.718 8.388 4.131 47428328 56.804 1.657 4.386 25355042 56.929 1.252 4.639 12886454 56.953 0.886 4.639 15226380 56.997 7.186 4.644 20068438 56.998 9.803 4.644 71086096 57.014 7.389 4.640 10642291 57.022 2.872 4.645 15695810 57.033 1.970 4.390 49818460 57.034 0.669 4.647 10109357 57.041 1.760 4.391 47324656 57.044 0.859 4.397 60204868 57.046 9.363 4.397 9677237 57.053 0.744 4.399 22001434 57.053 8.287 4.397 12559136 57.062 8.892 4.356 42093316 57.070 7.833 4.354 26673212 57.074 2.772 4.349 130181368 57.081 1.827 4.657 9824062 57.081 3.052 4.654 48729936 57.119 3.705 4.657 35077176 57.154 7.772 4.657 27059704 57.155 7.641 4.658 15293610 57.200 3.137 4.651 13821636 57.200 8.384 4.353 10787497 57.216 3.603 4.565 89358208 57.236 8.670 4.564 127992584 57.276 2.588 4.441 15446292 57.421 1.276 4.431 14567573 57.433 2.398 4.430 56767116 57.461 8.199 3.910 20398132 57.464 1.329 3.916 61448056 57.466 8.792 4.428 70613128 57.468 8.882 4.564 4894534 57.500 2.061 4.423 71413800 57.500 1.451 3.918 26240392 57.503 5.310 4.421 32570064 57.512 8.628 3.911 42126472 57.519 9.185 4.420 19635506 57.541 3.089 3.918 11225418 57.591 5.815 3.884 4119564 57.700 2.035 3.886 5319206 57.702 7.833 3.889 6866906 57.720 1.289 3.883 41777912 57.723 7.965 3.885 12400466 57.732 2.681 3.884 11411279 57.737 2.432 4.129 37019920 57.743 0.893 3.886 32969288 57.747 1.634 3.888 35348932 57.750 2.187 4.131 69049152 57.764 -0.033 3.889 8882752 57.766 0.385 3.885 88567848 57.771 6.886 4.148 4383687 57.783 2.910 4.127 9207512 57.784 7.238 3.904 4197552 57.785 7.960 4.129 11963917 57.785 7.164 4.127 21885412 57.786 8.470 3.885 14042891 57.797 6.859 3.886 17046980 57.815 6.698 3.891 6261627 57.816 1.350 4.109 30591984 57.816 8.198 4.318 13408276 57.817 1.686 4.111 124133072 57.822 2.723 4.317 100130328 57.827 8.520 4.316 28149992 57.831 7.234 4.113 57508324 57.837 1.194 4.318 10763819 57.846 7.831 4.111 14992688 57.961 5.144 3.919 7101345 58.014 0.886 5.159 6953172 58.059 2.108 5.160 18887062 58.067 8.901 5.160 85811360 58.067 5.082 5.161 90674568 58.089 8.681 5.159 12069994 58.107 8.806 5.159 26864772 58.107 3.691 5.156 46212184 58.107 5.179 5.156 310625440 58.120 1.911 5.156 8316816 58.125 1.634 5.150 5333462 58.576 6.686 3.888 5517681 58.586 6.869 3.899 19472320 58.606 7.843 4.320 37994044 58.608 1.365 3.895 64080232 58.609 1.712 3.896 62793260 58.620 0.757 3.898 46600740 58.643 8.371 4.320 17861722 58.660 7.328 3.891 15163767 58.666 7.774 4.145 12383953 58.677 1.968 3.898 77758896 58.708 1.739 4.143 103888784 58.717 8.542 4.143 34971260 58.717 8.007 4.144 13179674 58.717 3.256 4.144 5573667 58.717 3.168 4.144 6179625 58.797 8.790 3.949 20208444 58.800 7.304 3.934 13740154 58.831 0.919 3.946 106021864 58.839 9.119 3.945 6702468 58.840 1.684 4.217 19407044 58.840 0.937 4.214 15891889 58.840 0.845 4.212 9606611 58.846 8.484 4.220 7116216 58.857 2.966 4.510 48987332 58.858 7.054 4.511 34638228 58.861 3.177 4.510 33788948 58.866 7.597 4.511 96285328 58.867 1.295 3.940 56030720 58.869 8.136 4.509 19992796 58.870 8.388 4.143 15235321 58.883 2.549 4.513 7133863 58.883 4.130 3.943 97449520 58.885 0.742 6.061 8674384 58.885 7.610 4.217 5945505 58.886 2.050 4.213 37177664 58.887 5.330 3.943 4413420 58.889 1.832 4.212 42504016 58.889 1.539 6.062 5231392 58.892 1.070 4.215 74055240 58.893 8.577 6.061 54887364 58.894 7.890 4.409 31700774 58.895 10.267 4.510 8595450 58.896 6.066 6.061 266646928 58.900 2.175 4.212 42699432 58.900 4.015 4.405 106429936 58.900 3.905 4.408 116255680 58.901 1.897 6.060 32310124 58.903 6.887 6.061 21895442 58.906 8.757 4.410 23615062 58.907 0.977 6.061 46078700 58.907 5.093 6.061 30411552 58.908 3.141 4.411 14459968 58.910 7.100 4.214 4966784 58.912 9.576 6.061 10374214 58.931 2.365 3.937 72571048 58.933 2.981 4.410 6643927 58.935 7.970 4.208 11500982 58.936 9.208 6.064 5109149 58.945 0.394 4.139 5891419 58.949 2.394 4.137 26583524 58.950 2.095 4.138 69184200 58.958 8.911 4.219 11113652 58.959 1.700 3.656 5890378 58.971 7.186 6.063 7348483 58.977 1.202 4.132 5472628 58.985 1.937 4.138 39487564 58.986 8.199 4.136 35085708 59.000 2.044 3.936 62080148 59.006 8.138 3.935 35264488 59.017 2.569 3.932 18999576 59.024 2.471 3.655 11350717 59.030 2.720 4.138 6276244 59.055 1.965 3.938 53168244 59.055 1.785 3.940 12011859 59.055 0.819 3.944 19565796 59.058 2.155 3.655 25751482 59.059 1.208 6.070 5060533 59.087 7.967 3.653 16350208 59.500 3.976 4.410 94487824 59.500 3.892 4.410 100014784 59.508 8.381 4.414 33672716 59.540 8.141 4.411 13431528 59.549 2.033 4.414 7018990 59.968 7.068 3.205 10535894 59.993 1.617 3.202 11769452 59.999 1.824 3.202 8517373 60.000 1.688 3.200 5977650 60.029 1.348 3.199 18912078 60.047 8.293 3.202 14756091 60.073 4.317 3.203 5013596 60.086 0.996 3.201 19739996 60.091 6.834 3.199 8672100 60.191 0.618 3.217 3765759 60.643 8.899 5.093 4750560 60.690 1.258 5.088 5848104 60.701 1.665 4.623 8334239 60.718 1.266 4.626 16506084 60.734 0.887 5.091 47566276 60.734 2.382 4.626 90098696 60.736 0.754 5.092 31753278 60.738 0.884 4.626 87025144 60.739 1.946 5.092 16277027 60.746 7.409 4.628 16924238 60.746 8.475 4.634 8604889 60.750 6.069 5.092 23267628 60.753 9.198 5.091 55389960 60.759 8.604 5.092 12442458 60.763 6.888 5.095 10774332 60.800 0.981 5.091 29008254 61.312 7.180 4.241 10033152 61.364 9.121 4.245 19112322 61.364 8.143 4.248 8410457 61.398 1.762 4.237 5523886 61.415 0.941 4.249 7347576 61.657 4.026 4.266 86496312 61.704 4.250 4.048 136985904 61.741 3.711 4.286 4992580 61.752 2.389 4.048 4957947 61.759 3.831 4.037 34930500 61.765 7.186 4.045 13349380 61.793 1.494 4.289 61097112 61.805 9.133 4.045 35040072 61.827 7.964 4.289 30117406 61.860 4.033 4.287 62937284 61.860 8.147 4.291 30529792 61.967 4.245 3.840 18752456 61.998 1.621 4.563 5008372 62.014 2.031 3.836 4924463 62.023 8.490 3.881 28165164 62.071 0.880 3.885 43435400 62.075 7.196 3.840 9692482 62.077 0.991 4.554 4580170 62.081 1.264 4.554 49754288 62.095 0.744 4.547 11231998 62.103 0.877 3.840 36364768 62.118 7.213 3.864 7847978 62.121 3.573 4.555 20581356 62.121 8.674 4.557 64524500 62.121 8.595 4.557 62974152 62.124 1.955 4.554 7579219 62.127 8.486 3.836 31938694 62.128 1.956 4.081 13028577 62.141 1.642 4.058 3610677 62.150 8.147 4.079 11277338 62.158 2.045 4.082 20620820 62.165 7.942 4.082 21168132 62.198 0.889 3.985 9362817 62.200 7.958 3.982 37905652 62.200 6.711 3.977 13451989 62.212 1.194 4.082 10474637 62.223 8.433 4.076 3934159 62.224 7.499 4.082 8761627 62.228 1.250 3.983 4025884 62.229 5.816 3.982 16682400 62.240 1.660 3.981 21455298 62.240 3.229 3.981 31778568 62.242 3.005 3.980 66589644 62.247 6.855 3.980 23979602 62.253 7.239 3.981 10249369 62.263 8.680 3.989 4200765 62.448 2.478 4.390 17928662 62.483 2.025 4.389 15803718 62.809 6.691 3.931 8840839 62.819 7.947 3.930 42243040 62.829 7.493 3.928 32325856 62.831 4.331 3.931 28151294 62.831 4.099 3.927 189020080 62.831 1.218 3.929 13188945 62.876 7.964 4.019 22212366 62.913 4.309 4.023 52408388 62.933 5.969 4.039 5405670 62.938 8.145 4.021 45933616 62.973 1.666 4.019 7476148 62.977 1.487 4.028 4501558 63.031 2.058 3.949 4575082 63.404 8.146 3.882 7021316 63.491 8.378 3.982 21462130 63.512 0.822 3.931 6649860 63.573 8.383 3.886 46414380 63.688 4.407 3.891 143961504 63.691 2.902 3.896 17854104 63.691 8.446 3.885 23081630 63.700 3.251 3.896 6160404 63.731 7.917 3.900 8702291 63.740 1.931 3.893 5790186 63.741 7.494 3.893 11870225 63.743 -0.027 3.896 3295638 63.757 4.407 4.006 95675152 63.767 1.211 3.891 37550448 63.778 7.233 3.893 15675705 63.784 0.382 3.892 5889891 63.797 8.758 4.010 13959811 63.818 0.798 3.884 10465296 63.818 7.882 4.012 9333343 63.823 8.759 3.895 16804006 64.004 7.091 4.255 23264444 64.011 7.839 4.259 10091040 64.024 7.842 4.100 22215290 64.035 7.087 4.099 10820801 64.429 4.281 3.717 7136926 64.583 5.158 3.656 46128352 64.584 4.263 3.654 9148849 64.589 2.048 3.717 19516632 64.594 8.812 3.660 28244966 64.595 5.155 3.713 36571608 64.596 0.881 3.658 60733708 64.601 0.880 3.714 52026464 64.601 1.281 3.710 19321808 64.607 1.817 3.712 5930884 64.622 1.277 3.663 16908378 64.628 8.809 3.715 30062572 64.628 8.894 3.714 13543343 64.628 8.885 3.666 15717165 64.636 3.655 3.716 536420544 64.636 3.717 3.655 884642624 64.706 2.077 3.645 16058733 64.744 1.497 4.489 9377770 64.744 4.067 4.489 22168380 64.745 8.134 4.495 7846109 64.774 2.429 4.490 124113480 64.775 2.037 4.490 73946048 64.777 3.802 4.491 14031771 64.778 8.385 4.492 16003880 64.818 3.529 4.492 18279508 64.867 3.037 4.117 10458378 64.875 7.762 4.118 8249877 64.878 4.751 4.114 8282749 64.885 2.008 4.116 52776272 64.887 6.946 4.114 8871953 64.889 2.280 4.116 63069540 64.902 7.200 4.116 14442354 64.910 8.542 4.435 7194766 64.913 8.005 4.119 5634308 64.925 7.623 4.118 8166865 64.928 8.539 4.116 6588410 64.939 2.455 4.435 112066608 64.940 2.046 4.435 75683704 64.940 2.730 4.431 26136078 64.945 9.360 4.433 21080552 64.967 7.060 4.118 7900218 65.053 8.883 3.590 7783030 65.072 -0.061 3.527 4688978 65.079 0.283 3.525 32664620 65.088 5.075 3.591 10954199 65.089 0.601 3.532 11208376 65.090 8.672 3.589 82212448 65.094 4.560 3.590 111318112 65.095 6.709 3.531 7455579 65.114 1.125 3.531 14683048 65.115 0.960 3.530 38693212 65.121 0.844 3.530 76429408 65.124 1.582 3.530 33119510 65.128 1.977 3.530 66829432 65.129 7.334 3.535 7005824 65.136 0.191 3.529 57639104 65.141 6.861 3.531 9511706 65.156 8.016 3.531 32452778 66.000 0.722 3.228 39421812 66.015 0.907 3.220 57328256 66.041 8.135 3.219 8310223 66.047 0.783 3.226 92985056 66.054 1.264 3.220 50138400 66.068 1.872 3.224 28096622 66.069 3.976 3.223 13639678 66.073 7.319 3.232 6070926 66.090 8.398 3.214 21577490 66.112 7.408 3.211 7626202 66.926 2.396 3.418 13204452 66.943 0.801 3.423 77675664 66.947 3.968 3.426 15047762 66.959 1.648 3.434 5533888 66.972 8.052 3.431 16555538 66.973 3.004 3.419 6263584 66.980 1.219 3.425 17941976 66.994 9.027 3.429 4307362 68.316 1.031 3.867 14679261 68.327 3.871 3.861 162399472 68.335 0.808 3.867 6605034 68.366 1.822 3.857 6639232 68.381 8.443 3.860 10252431 68.402 1.187 3.863 30332014 68.414 1.026 4.371 6416778 68.424 8.155 4.376 4507064 68.428 3.885 4.376 42279668 68.448 4.364 3.858 28525806 68.459 0.805 4.389 3532752 68.460 7.944 3.857 3386264 68.486 1.828 4.377 3084042 68.519 1.193 4.373 41320308 68.527 7.947 4.374 15176433 68.583 8.464 4.375 16873546 70.759 0.892 3.576 8754210 70.898 6.887 3.572 8945561 70.938 5.113 3.572 5851824 70.962 0.657 3.573 45986900 70.963 1.262 3.573 72563872 70.964 4.230 3.576 17885954 70.976 8.666 3.572 35297684 70.986 4.547 3.571 20854826 71.189 1.899 3.579 3564599 ; 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 Caliph 1 14108.625 . . . 17020 2 2 H 1 H 2 10201.248 . . . 17020 2 3 H 1 HC 1 15243.902 . . . 17020 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17020 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 17020 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 114.870 7.220 7.493 45918752 114.973 10.266 7.494 13732165 115.403 10.116 7.373 13032558 115.512 6.884 7.373 37729560 118.214 6.688 6.685 827451904 118.298 2.805 6.686 13490685 118.307 1.243 6.684 53461880 118.339 6.850 6.684 202189008 118.370 0.387 6.691 9040833 118.372 3.942 6.684 14422886 118.391 3.004 6.685 10091109 120.374 7.085 7.616 20149894 120.443 4.650 7.618 7888083 120.491 1.847 7.614 8975845 120.501 3.706 7.614 13247649 120.519 1.987 7.608 7917639 122.299 7.619 7.097 24739072 122.824 7.191 6.895 19257214 122.898 1.258 6.895 12426143 122.908 5.116 6.895 8938450 122.955 6.073 6.893 10183534 123.015 0.889 6.891 7981164 124.466 1.604 6.880 13131421 124.493 7.497 7.214 40542816 124.516 0.888 7.218 7255150 124.527 6.884 6.880 342357280 124.551 1.263 6.881 34815596 124.576 7.379 6.882 28792162 127.238 2.567 7.196 9662330 127.325 10.276 7.201 19371118 127.340 4.124 7.206 9559591 127.639 7.394 7.089 10379266 127.663 10.119 7.091 34763344 127.769 4.264 7.093 16025349 127.793 2.859 7.090 15403400 127.996 7.092 7.093 366328768 129.228 1.079 6.854 15804182 129.234 0.846 6.861 12210278 129.321 0.181 6.868 7593955 129.351 7.226 6.863 25226868 131.029 1.985 6.900 15992952 131.116 1.074 6.904 18360932 131.142 0.806 6.901 17496134 131.233 -0.030 6.910 8512223 131.301 1.996 6.910 16150154 131.920 0.944 7.055 7444201 132.063 3.180 7.059 24717330 132.122 2.972 7.059 17679488 132.150 4.506 7.060 11153891 132.653 6.380 7.173 15845905 132.712 2.900 7.173 23114704 132.734 0.645 7.173 26829638 132.748 3.510 7.171 23034488 132.783 1.021 7.173 14351982 132.785 6.876 7.167 13140577 133.014 6.700 6.863 137376832 133.032 2.787 6.874 9593552 133.049 0.862 6.865 14840365 133.078 1.631 6.864 10218252 133.086 6.862 6.862 496442272 133.098 0.383 6.865 17607368 133.116 3.005 6.860 35977172 133.122 1.229 6.862 44526240 133.131 3.955 6.863 18392940 133.169 3.232 6.864 25367244 ; 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 Carom 1 6413.526 . . . 17020 3 2 H 1 H 2 10201.248 . . . 17020 3 3 H 1 HC 1 15243.902 . . . 17020 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17020 3 stop_ save_ save_4D_ccnoesy.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy.list _Spectral_peak_list.Entry_ID 17020 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 16 _Spectral_peak_list.Experiment_name '4D CC 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 14.654 29.556 -0.126 6.689 61277 14.681 14.684 -0.307 6.692 557756 17.070 17.012 0.621 7.623 86729 18.529 18.472 0.109 7.106 103044 19.374 19.317 -0.085 6.903 56518 19.478 18.291 1.664 0.782 35644 19.521 33.167 2.384 0.781 34734 19.538 19.534 0.781 0.784 1506328 19.574 22.899 1.272 0.782 36728 20.312 24.143 0.843 0.785 46100 20.443 20.440 0.786 0.790 1062084 20.840 19.185 0.779 0.790 -20008 20.940 20.966 -0.108 6.889 68100 20.953 20.948 0.893 0.898 3854611 20.987 20.991 0.228 7.223 170499 20.988 31.966 0.497 7.212 -55167 21.633 19.018 0.990 0.754 46858 21.637 21.636 0.751 0.756 1293401 22.226 19.103 0.987 0.874 42828 22.343 22.334 0.869 0.873 1051634 22.350 22.301 0.580 0.584 340307 22.644 20.170 1.220 0.389 34960 22.682 22.674 0.391 0.392 1071114 22.711 16.354 3.902 0.395 35574 22.718 25.730 -0.036 0.393 40165 23.190 23.184 1.009 1.016 1258430 23.343 26.939 1.541 0.782 30929 23.353 23.348 0.788 0.794 5136464 23.355 13.830 4.231 0.793 46328 23.552 23.546 0.860 1.018 249002 23.599 23.598 0.864 1.082 183590 23.611 23.604 0.220 7.217 202482 23.626 23.626 0.849 0.854 3840371 23.829 23.823 1.089 1.093 1068143 23.862 15.810 4.371 0.861 26731 23.876 27.206 1.720 1.082 34740 24.106 24.116 0.104 7.102 191149 24.253 24.245 0.937 0.944 1350579 24.467 24.462 0.787 0.793 1912694 24.814 24.842 1.417 0.782 -49504 24.965 24.961 0.849 0.856 5188345 24.998 21.585 1.479 0.853 -26738 25.161 25.124 0.044 7.042 148072 25.785 25.781 0.969 0.975 1213495 25.814 27.258 1.725 0.981 29908 25.818 25.814 -0.032 -0.027 563908 25.849 27.584 -0.126 6.874 43112 25.895 25.880 -0.127 6.874 83341 25.932 25.930 0.884 0.885 1167371 26.047 20.324 3.887 0.887 27287 26.107 22.847 0.368 -0.024 26861 28.553 28.571 0.074 7.074 204606 29.136 29.094 0.177 7.179 161398 29.399 17.174 3.258 6.867 21649 29.539 29.535 -0.126 6.874 330164 29.593 14.673 -0.308 6.877 62287 29.692 20.076 1.222 6.868 -29966 32.017 32.006 0.501 7.497 213106 32.087 20.988 0.225 7.500 -53610 32.624 32.618 0.385 7.379 208320 ; 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 Caliph 1 3121.342 . . . 17020 4 2 C 13 C 2 3121.342 . . . 17020 4 3 H 1 HC 2 4197.272 . . . 17020 4 4 H 1 HC 1 8000 . . . 17020 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 7 $SPARKY . . 17020 4 stop_ save_