data_15317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15317 _Entry.Title ; NMR Solution Structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-19 _Entry.Accession_date 2007-06-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'homodimer, all helix' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Theresa Ramelot . A. . 15317 2 John Cort . R. . 15317 3 Huang Wang . . . 15317 4 Chioma Nwosu . . . 15317 5 Kellie Cunningham . . . 15317 6 Leah Owens . . . 15317 7 Li-Chung Ma . . . 15317 8 Rong Xiao . . . 15317 9 Jinfeng Liu . . . 15317 10 Michael Baran . C. . 15317 11 G.V.T. Swapna . . . 15317 12 Thomas Acton . B. . 15317 13 Burkhard Rost . . . 15317 14 Gaetano Montelione . T. . 15317 15 Michael Kennedy . A. . 15317 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' . 15317 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'all alpha' . 15317 dimer . 15317 homodimer . 15317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15317 spectral_peak_list 4 15317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 15317 '15N chemical shifts' 80 15317 '1H chemical shifts' 556 15317 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-06-02 2007-06-19 update BMRB 'edit assembly name' 15317 2 . . 2009-06-22 2007-06-19 update BMRB 'added time domain data' 15317 1 . . 2007-08-15 2007-06-19 original author 'original release' 15317 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR structure of Colwellia psychrerythraea protein CPS_2611. Northeast Structural Genomics target CsR4.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theresa Ramelot . A. . 15317 1 2 John Cort . R. . 15317 1 3 Gaetano Montelione . A. . 15317 1 4 Michael Kennedy . A. . 15317 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dimer 15317 1 helix 15317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15317 _Assembly.ID 1 _Assembly.Name CPS_2611 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 17170 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _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 'subunit 1' 1 $protein A . yes native no no . . . 15317 1 2 'subunit 2' 1 $protein B . yes native no no . . . 15317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 15317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 'A B' _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPIVSKYSNERVEKIIQDLL DVLVKEEVTPDLALMCLGNA VTNIIAQVPESKRVAVVDNF TKALKQSVLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '8 non-native residues C-terminal His tag (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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17170 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JR2 . "Solution Nmr Structure Of Homodimer Cps_2611 From Colwellia Psychrerythraea. Northeast Structural Genomics Consortium Target Cs" . . . . . 100.00 76 100.00 100.00 3.97e-46 . . . . 15317 1 2 no PDB 2OTA . "Crystal Structure Of The Upf0352 Protein Cps_2611 From Colwellia Psychrerythraea. Nesg Target Csr4" . . . . . 98.68 76 98.67 98.67 4.00e-44 . . . . 15317 1 3 no GB AAZ26870 . "conserved hypothetical protein [Colwellia psychrerythraea 34H]" . . . . . 89.47 68 100.00 100.00 1.30e-39 . . . . 15317 1 4 no REF WP_011043419 . "hypothetical protein [Colwellia psychrerythraea]" . . . . . 89.47 68 100.00 100.00 1.30e-39 . . . . 15317 1 5 no SP Q481E4 . "RecName: Full=UPF0352 protein CPS_2611" . . . . . 89.47 68 100.00 100.00 1.30e-39 . . . . 15317 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID dimer 15317 1 unknown 15317 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 . 15317 1 2 . PRO . 15317 1 3 . ILE . 15317 1 4 . VAL . 15317 1 5 . SER . 15317 1 6 . LYS . 15317 1 7 . TYR . 15317 1 8 . SER . 15317 1 9 . ASN . 15317 1 10 . GLU . 15317 1 11 . ARG . 15317 1 12 . VAL . 15317 1 13 . GLU . 15317 1 14 . LYS . 15317 1 15 . ILE . 15317 1 16 . ILE . 15317 1 17 . GLN . 15317 1 18 . ASP . 15317 1 19 . LEU . 15317 1 20 . LEU . 15317 1 21 . ASP . 15317 1 22 . VAL . 15317 1 23 . LEU . 15317 1 24 . VAL . 15317 1 25 . LYS . 15317 1 26 . GLU . 15317 1 27 . GLU . 15317 1 28 . VAL . 15317 1 29 . THR . 15317 1 30 . PRO . 15317 1 31 . ASP . 15317 1 32 . LEU . 15317 1 33 . ALA . 15317 1 34 . LEU . 15317 1 35 . MET . 15317 1 36 . CYS . 15317 1 37 . LEU . 15317 1 38 . GLY . 15317 1 39 . ASN . 15317 1 40 . ALA . 15317 1 41 . VAL . 15317 1 42 . THR . 15317 1 43 . ASN . 15317 1 44 . ILE . 15317 1 45 . ILE . 15317 1 46 . ALA . 15317 1 47 . GLN . 15317 1 48 . VAL . 15317 1 49 . PRO . 15317 1 50 . GLU . 15317 1 51 . SER . 15317 1 52 . LYS . 15317 1 53 . ARG . 15317 1 54 . VAL . 15317 1 55 . ALA . 15317 1 56 . VAL . 15317 1 57 . VAL . 15317 1 58 . ASP . 15317 1 59 . ASN . 15317 1 60 . PHE . 15317 1 61 . THR . 15317 1 62 . LYS . 15317 1 63 . ALA . 15317 1 64 . LEU . 15317 1 65 . LYS . 15317 1 66 . GLN . 15317 1 67 . SER . 15317 1 68 . VAL . 15317 1 69 . LEU . 15317 1 70 . GLU . 15317 1 71 . HIS . 15317 1 72 . HIS . 15317 1 73 . HIS . 15317 1 74 . HIS . 15317 1 75 . HIS . 15317 1 76 . HIS . 15317 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 15317 1 . PRO 2 2 15317 1 . ILE 3 3 15317 1 . VAL 4 4 15317 1 . SER 5 5 15317 1 . LYS 6 6 15317 1 . TYR 7 7 15317 1 . SER 8 8 15317 1 . ASN 9 9 15317 1 . GLU 10 10 15317 1 . ARG 11 11 15317 1 . VAL 12 12 15317 1 . GLU 13 13 15317 1 . LYS 14 14 15317 1 . ILE 15 15 15317 1 . ILE 16 16 15317 1 . GLN 17 17 15317 1 . ASP 18 18 15317 1 . LEU 19 19 15317 1 . LEU 20 20 15317 1 . ASP 21 21 15317 1 . VAL 22 22 15317 1 . LEU 23 23 15317 1 . VAL 24 24 15317 1 . LYS 25 25 15317 1 . GLU 26 26 15317 1 . GLU 27 27 15317 1 . VAL 28 28 15317 1 . THR 29 29 15317 1 . PRO 30 30 15317 1 . ASP 31 31 15317 1 . LEU 32 32 15317 1 . ALA 33 33 15317 1 . LEU 34 34 15317 1 . MET 35 35 15317 1 . CYS 36 36 15317 1 . LEU 37 37 15317 1 . GLY 38 38 15317 1 . ASN 39 39 15317 1 . ALA 40 40 15317 1 . VAL 41 41 15317 1 . THR 42 42 15317 1 . ASN 43 43 15317 1 . ILE 44 44 15317 1 . ILE 45 45 15317 1 . ALA 46 46 15317 1 . GLN 47 47 15317 1 . VAL 48 48 15317 1 . PRO 49 49 15317 1 . GLU 50 50 15317 1 . SER 51 51 15317 1 . LYS 52 52 15317 1 . ARG 53 53 15317 1 . VAL 54 54 15317 1 . ALA 55 55 15317 1 . VAL 56 56 15317 1 . VAL 57 57 15317 1 . ASP 58 58 15317 1 . ASN 59 59 15317 1 . PHE 60 60 15317 1 . THR 61 61 15317 1 . LYS 62 62 15317 1 . ALA 63 63 15317 1 . LEU 64 64 15317 1 . LYS 65 65 15317 1 . GLN 66 66 15317 1 . SER 67 67 15317 1 . VAL 68 68 15317 1 . LEU 69 69 15317 1 . GLU 70 70 15317 1 . HIS 71 71 15317 1 . HIS 72 72 15317 1 . HIS 73 73 15317 1 . HIS 74 74 15317 1 . HIS 75 75 15317 1 . HIS 76 76 15317 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 15317 _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 $protein . 28229 organism . 'Colwellia psychrerythraea' . . . Bacteria . Colwellia psychrerythraea . . . . . . . . . . . . . . . . CPS_2611 . . . . 15317 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 15317 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 pMGK' . . . . . . . . . . . . . . . pET21 . . . . . . 15317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 15317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-13C; U-15N]' . . 1 $protein . . 1 . . mM 0.1 . . . 15317 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 15317 1 3 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15317 1 4 DTT 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 15317 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 15317 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-5% 13C; U-100% 15N]' . . 1 $protein . . 1.1 . . mM 0.1 . . . 15317 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 15317 2 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 2 4 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15317 2 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 15317 2 stop_ save_ save_NC_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_in_D2O _Sample.Entry_ID 15317 _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 protein '[U-13C; U-15N]' . . 1 $protein . . 1.0 . . mM 0.1 . . . 15317 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 15317 3 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 3 4 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15317 3 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 15317 3 stop_ save_ save_NC50_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC50_sample_in_D2O _Sample.Entry_ID 15317 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50% NC labeled and 50% unlabeled protein mixed together to form mixed homodimer.' _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 protein '[U-13C; U-15N]' . . 1 $protein . . 0.5 . . mM 0.05 . . . 15317 4 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 15317 4 3 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 4 4 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15317 4 5 DTT 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 15317 4 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 15317 4 7 protein 'natural abundance' . . . . . . 0.5 . . mM 0.05 . . . 15317 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15317 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.02 M 15317 1 pH 5.5 0.2 pH 15317 1 pressure 1 . atm 15317 1 temperature 293 1 K 15317 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15317 _Software.ID 1 _Software.Name NMRPipe _Software.Version linux9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15317 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15317 _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 . . 15317 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15317 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15317 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15317 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15317 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15317 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.15.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15317 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15317 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15317 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _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' . . 15317 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15317 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15317 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15317 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15317 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15317 _Software.ID 7 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15317 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 15317 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15317 _Software.ID 8 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15317 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15317 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15317 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15317 _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 . . . 15317 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 15317 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes 1 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 2 '2D 1H-13C HSQC (aliph)' yes 2 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 3 '3D 1H-15N NOESY' yes 3 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 4 '3D 1H-13C NOESY aliph' yes 4 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 5 '3D HNCACB' yes 5 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 6 '2D 1H-13C HSQC' yes 6 . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 7 '4D 1H-13C NOESY' yes 7 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 8 '3D HBHA(CO)NH' yes 8 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 9 '3D HNHA' yes 9 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 10 '3D CBCA(CO)NH' yes 10 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 11 '3D HNCA' yes 11 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 12 '3D HN(CO)CA' yes 12 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 13 '3D HNCO' yes 13 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 14 '3D C(CO)NH' yes 14 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 15 '3D HCCH-COSY' yes 15 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 16 '3D HCCH-TOCSY' yes 16 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 17 '2D 1H-13C HSQC' yes 17 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 18 '2D 1H-15N HSQC (15 min)' yes 18 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 19 '3D edited filtered 1H-13C NOESY' yes 19 . . . . . . . . . 4 $NC50_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 20 '3D 1H-13C NOESY arom' yes 20 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 21 '2D 1H-13C HSQC (arom ct)' yes 21 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 22 '2D 1H-13C HSQC (arom no ct)' yes 22 . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 23 '2D 1H-15N HSQC (30 min)' yes 23 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 24 '2D 1H-15N HSQC (1 hr)' yes 24 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 25 '2D 1H-15N HSQC (6 days)' yes 25 . . . . . . . . . 3 $NC_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15317 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_nhsqc_long_600mhz_1_21_07.fid/' . . . . . . . 15317 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_nhsqc_long_600mhz_1_21_07.fid/' . . . . . . . 15317 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_nhsqc_long_600mhz_1_21_07.fid/' . . . . . . . 15317 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_aliph_2_20_07.fid/' . . . . . . . 15317 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_aliph_2_20_07.fid/' . . . . . . . 15317 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_aliph_2_20_07.fid/' . . . . . . . 15317 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_n15_noesy_2_24_07.fid/' . . . . . . . 15317 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_n15_noesy_2_24_07.fid/' . . . . . . . 15317 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_n15_noesy_2_24_07.fid/' . . . . . . . 15317 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-13C NOESY aliph' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_aliph_2_27_07.fid/' . . . . . . . 15317 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_aliph_2_27_07.fid/' . . . . . . . 15317 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_aliph_2_27_07.fid/' . . . . . . . 15317 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncacb_1_29_07.fid/' . . . . . . . 15317 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncacb_1_29_07.fid/' . . . . . . . 15317 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncacb_1_29_07.fid/' . . . . . . . 15317 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc5_chsqc_aliph_long_1_25_07.fid/' . . . . . . . 15317 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc5_chsqc_aliph_long_1_25_07.fid/' . . . . . . . 15317 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc5_chsqc_aliph_long_1_25_07.fid/' . . . . . . . 15317 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '4D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_4d_cc_noesy_3_27_07.fid/' . . . . . . . 15317 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_4d_cc_noesy_3_27_07.fid/' . . . . . . . 15317 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_4d_cc_noesy_3_27_07.fid/' . . . . . . . 15317 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hbha_conh_2_20_07.fid/' . . . . . . . 15317 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hbha_conh_2_20_07.fid/' . . . . . . . 15317 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hbha_conh_2_20_07.fid/' . . . . . . . 15317 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnha_3_17_07.fid/' . . . . . . . 15317 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnha_3_17_07.fid/' . . . . . . . 15317 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnha_3_17_07.fid/' . . . . . . . 15317 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_cbcaconh_2_5_07.fid/' . . . . . . . 15317 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_cbcaconh_2_5_07.fid/' . . . . . . . 15317 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_cbcaconh_2_5_07.fid/' . . . . . . . 15317 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnca_2_1_07.fid/' . . . . . . . 15317 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnca_2_1_07.fid/' . . . . . . . 15317 11 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnca_2_1_07.fid/' . . . . . . . 15317 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncoca_2_2_07.fid/' . . . . . . . 15317 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncoca_2_2_07.fid/' . . . . . . . 15317 12 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hncoca_2_2_07.fid/' . . . . . . . 15317 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnco_1_30_07.fid/' . . . . . . . 15317 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnco_1_30_07.fid/' . . . . . . . 15317 13 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hnco_1_30_07.fid/' . . . . . . . 15317 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_ccc_toc_conh_2_28_07.fid/' . . . . . . . 15317 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_ccc_toc_conh_2_28_07.fid/' . . . . . . . 15317 14 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_ccc_toc_conh_2_28_07.fid/' . . . . . . . 15317 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_cosy_3_20_07.fid/' . . . . . . . 15317 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_cosy_3_20_07.fid/' . . . . . . . 15317 15 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_cosy_3_20_07.fid/' . . . . . . . 15317 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_tocsy_3_12_07.fid/' . . . . . . . 15317 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_tocsy_3_12_07.fid/' . . . . . . . 15317 16 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_hcch_tocsy_3_12_07.fid/' . . . . . . . 15317 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_chsqc_aliph_3_21_07.fid/' . . . . . . . 15317 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_chsqc_aliph_3_21_07.fid/' . . . . . . . 15317 17 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_chsqc_aliph_3_21_07.fid/' . . . . . . . 15317 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '2D 1H-15N HSQC (15 min)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_15min_3_21_07.fid/' . . . . . . . 15317 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_15min_3_21_07.fid/' . . . . . . . 15317 18 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_15min_3_21_07.fid/' . . . . . . . 15317 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '3D edited filtered 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc50_c13_ed_filt_noesy_h2o_3_26_07.fid/' . . . . . . . 15317 19 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc50_c13_ed_filt_noesy_h2o_3_26_07.fid/' . . . . . . . 15317 19 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4nc50_c13_ed_filt_noesy_h2o_3_26_07.fid/' . . . . . . . 15317 19 stop_ save_ save_NMR_spectrometer_expt_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_20 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name '3D 1H-13C NOESY arom' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_arom_3_1_07.fid/' . . . . . . . 15317 20 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_arom_3_1_07.fid/' . . . . . . . 15317 20 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_c13_noesy_arom_3_1_07.fid/' . . . . . . . 15317 20 stop_ save_ save_NMR_spectrometer_expt_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_21 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name '2D 1H-13C HSQC (arom ct)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_ct_1_21_07.fid/' . . . . . . . 15317 21 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_ct_1_21_07.fid/' . . . . . . . 15317 21 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_ct_1_21_07.fid/' . . . . . . . 15317 21 stop_ save_ save_NMR_spectrometer_expt_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_22 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name '2D 1H-13C HSQC (arom no ct)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_noct_1_21_07.fid/' . . . . . . . 15317 22 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_noct_1_21_07.fid/' . . . . . . . 15317 22 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_chsqc_arom_noct_1_21_07.fid/' . . . . . . . 15317 22 stop_ save_ save_NMR_spectrometer_expt_23 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_23 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 23 _NMR_spec_expt.Name '2D 1H-15N HSQC (30 min)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_30min_3_21_07.fid/' . . . . . . . 15317 23 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_30min_3_21_07.fid/' . . . . . . . 15317 23 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_30min_3_21_07.fid/' . . . . . . . 15317 23 stop_ save_ save_NMR_spectrometer_expt_24 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_24 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 24 _NMR_spec_expt.Name '2D 1H-15N HSQC (1 hr)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_1hr_3_21_07.fid/' . . . . . . . 15317 24 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_1hr_3_21_07.fid/' . . . . . . . 15317 24 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_nhsqc_1hr_3_21_07.fid/' . . . . . . . 15317 24 stop_ save_ save_NMR_spectrometer_expt_25 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_25 _NMR_spec_expt.Entry_ID 15317 _NMR_spec_expt.ID 25 _NMR_spec_expt.Name '2D 1H-15N HSQC (6 days)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_6days_nhsqc_3_27_07.fid/' . . . . . . . 15317 25 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_6days_nhsqc_3_27_07.fid/' . . . . . . . 15317 25 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr15317/timedomain_data/nesgCsR4_bmrb15317/csr4_d2o_6days_nhsqc_3_27_07.fid/' . . . . . . . 15317 25 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 15317 _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 external indirect 0.251449530 . . . . . . . . . 15317 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15317 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15317 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 15317 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 15317 1 2 '2D 1H-13C HSQC (aliph)' . . . 15317 1 5 '3D HNCACB' . . . 15317 1 8 '3D HBHA(CO)NH' . . . 15317 1 10 '3D CBCA(CO)NH' . . . 15317 1 12 '3D HN(CO)CA' . . . 15317 1 13 '3D HNCO' . . . 15317 1 15 '3D HCCH-COSY' . . . 15317 1 16 '3D HCCH-TOCSY' . . . 15317 1 21 '2D 1H-13C HSQC (arom ct)' . . . 15317 1 22 '2D 1H-13C HSQC (arom no ct)' . . . 15317 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 8 $AutoAssign . . 15317 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 2 2 PRO HA H 1 4.40 0.02 . 1 . . . . 2 PRO HA . 15317 1 2 . 1 1 2 2 PRO HB2 H 1 1.97 0.02 . 2 . . . . 2 PRO HB2 . 15317 1 3 . 1 1 2 2 PRO HB3 H 1 2.42 0.02 . 2 . . . . 2 PRO HB3 . 15317 1 4 . 1 1 2 2 PRO HD2 H 1 3.37 0.02 . 2 . . . . 2 PRO HD2 . 15317 1 5 . 1 1 2 2 PRO HD3 H 1 3.37 0.02 . 2 . . . . 2 PRO HD3 . 15317 1 6 . 1 1 2 2 PRO HG2 H 1 1.97 0.02 . 2 . . . . 2 PRO HG2 . 15317 1 7 . 1 1 2 2 PRO HG3 H 1 2.03 0.02 . 2 . . . . 2 PRO HG3 . 15317 1 8 . 1 1 2 2 PRO C C 13 172.3 0.2 . 1 . . . . 2 PRO C . 15317 1 9 . 1 1 2 2 PRO CA C 13 62.2 0.2 . 1 . . . . 2 PRO CA . 15317 1 10 . 1 1 2 2 PRO CB C 13 32.6 0.2 . 1 . . . . 2 PRO CB . 15317 1 11 . 1 1 2 2 PRO CD C 13 49.3 0.2 . 1 . . . . 2 PRO CD . 15317 1 12 . 1 1 2 2 PRO CG C 13 26.3 0.2 . 1 . . . . 2 PRO CG . 15317 1 13 . 1 1 3 3 ILE H H 1 8.63 0.02 . 1 . . . . 3 ILE H . 15317 1 14 . 1 1 3 3 ILE HA H 1 4.19 0.02 . 1 . . . . 3 ILE HA . 15317 1 15 . 1 1 3 3 ILE HB H 1 1.80 0.02 . 1 . . . . 3 ILE HB . 15317 1 16 . 1 1 3 3 ILE HD11 H 1 0.83 0.02 . 1 . . . . 3 ILE HD1 . 15317 1 17 . 1 1 3 3 ILE HD12 H 1 0.83 0.02 . 1 . . . . 3 ILE HD1 . 15317 1 18 . 1 1 3 3 ILE HD13 H 1 0.83 0.02 . 1 . . . . 3 ILE HD1 . 15317 1 19 . 1 1 3 3 ILE HG12 H 1 1.16 0.02 . 2 . . . . 3 ILE HG12 . 15317 1 20 . 1 1 3 3 ILE HG13 H 1 1.46 0.02 . 2 . . . . 3 ILE HG13 . 15317 1 21 . 1 1 3 3 ILE HG21 H 1 0.87 0.02 . 1 . . . . 3 ILE HG2 . 15317 1 22 . 1 1 3 3 ILE HG22 H 1 0.87 0.02 . 1 . . . . 3 ILE HG2 . 15317 1 23 . 1 1 3 3 ILE HG23 H 1 0.87 0.02 . 1 . . . . 3 ILE HG2 . 15317 1 24 . 1 1 3 3 ILE C C 13 176.1 0.2 . 1 . . . . 3 ILE C . 15317 1 25 . 1 1 3 3 ILE CA C 13 61.5 0.2 . 1 . . . . 3 ILE CA . 15317 1 26 . 1 1 3 3 ILE CB C 13 38.6 0.2 . 1 . . . . 3 ILE CB . 15317 1 27 . 1 1 3 3 ILE CD1 C 13 12.8 0.2 . 1 . . . . 3 ILE CD1 . 15317 1 28 . 1 1 3 3 ILE CG1 C 13 27.2 0.2 . 1 . . . . 3 ILE CG1 . 15317 1 29 . 1 1 3 3 ILE CG2 C 13 17.4 0.2 . 1 . . . . 3 ILE CG2 . 15317 1 30 . 1 1 3 3 ILE N N 15 120.7 0.2 . 1 . . . . 3 ILE N . 15317 1 31 . 1 1 4 4 VAL H H 1 8.38 0.02 . 1 . . . . 4 VAL H . 15317 1 32 . 1 1 4 4 VAL HA H 1 4.14 0.02 . 1 . . . . 4 VAL HA . 15317 1 33 . 1 1 4 4 VAL HB H 1 2.01 0.02 . 1 . . . . 4 VAL HB . 15317 1 34 . 1 1 4 4 VAL HG11 H 1 0.93 0.02 . 1 . . . . 4 VAL HG1 . 15317 1 35 . 1 1 4 4 VAL HG12 H 1 0.93 0.02 . 1 . . . . 4 VAL HG1 . 15317 1 36 . 1 1 4 4 VAL HG13 H 1 0.93 0.02 . 1 . . . . 4 VAL HG1 . 15317 1 37 . 1 1 4 4 VAL HG21 H 1 0.91 0.02 . 1 . . . . 4 VAL HG2 . 15317 1 38 . 1 1 4 4 VAL HG22 H 1 0.91 0.02 . 1 . . . . 4 VAL HG2 . 15317 1 39 . 1 1 4 4 VAL HG23 H 1 0.91 0.02 . 1 . . . . 4 VAL HG2 . 15317 1 40 . 1 1 4 4 VAL C C 13 175.8 0.2 . 1 . . . . 4 VAL C . 15317 1 41 . 1 1 4 4 VAL CA C 13 62.1 0.2 . 1 . . . . 4 VAL CA . 15317 1 42 . 1 1 4 4 VAL CB C 13 32.8 0.2 . 1 . . . . 4 VAL CB . 15317 1 43 . 1 1 4 4 VAL CG1 C 13 22.6 0.02 . 1 . . . . 4 VAL CG1 . 15317 1 44 . 1 1 4 4 VAL CG2 C 13 20.5 0.02 . 1 . . . . 4 VAL CG2 . 15317 1 45 . 1 1 4 4 VAL N N 15 125.5 0.2 . 1 . . . . 4 VAL N . 15317 1 46 . 1 1 5 5 SER H H 1 8.45 0.02 . 1 . . . . 5 SER H . 15317 1 47 . 1 1 5 5 SER HA H 1 4.42 0.02 . 1 . . . . 5 SER HA . 15317 1 48 . 1 1 5 5 SER HB2 H 1 3.75 0.02 . 2 . . . . 5 SER HB2 . 15317 1 49 . 1 1 5 5 SER HB3 H 1 3.83 0.02 . 2 . . . . 5 SER HB3 . 15317 1 50 . 1 1 5 5 SER C C 13 174.3 0.2 . 1 . . . . 5 SER C . 15317 1 51 . 1 1 5 5 SER CA C 13 57.9 0.2 . 1 . . . . 5 SER CA . 15317 1 52 . 1 1 5 5 SER CB C 13 64.0 0.2 . 1 . . . . 5 SER CB . 15317 1 53 . 1 1 5 5 SER N N 15 120.5 0.2 . 1 . . . . 5 SER N . 15317 1 54 . 1 1 6 6 LYS H H 1 8.33 0.02 . 1 . . . . 6 LYS H . 15317 1 55 . 1 1 6 6 LYS HA H 1 4.15 0.02 . 1 . . . . 6 LYS HA . 15317 1 56 . 1 1 6 6 LYS HB2 H 1 1.58 0.02 . 2 . . . . 6 LYS HB2 . 15317 1 57 . 1 1 6 6 LYS HB3 H 1 1.58 0.02 . 2 . . . . 6 LYS HB3 . 15317 1 58 . 1 1 6 6 LYS HD2 H 1 1.57 0.02 . 2 . . . . 6 LYS HD2 . 15317 1 59 . 1 1 6 6 LYS HD3 H 1 1.57 0.02 . 2 . . . . 6 LYS HD3 . 15317 1 60 . 1 1 6 6 LYS HE2 H 1 2.74 0.02 . 2 . . . . 6 LYS HE2 . 15317 1 61 . 1 1 6 6 LYS HE3 H 1 2.93 0.02 . 2 . . . . 6 LYS HE3 . 15317 1 62 . 1 1 6 6 LYS HG2 H 1 1.14 0.02 . 2 . . . . 6 LYS HG2 . 15317 1 63 . 1 1 6 6 LYS HG3 H 1 1.14 0.02 . 2 . . . . 6 LYS HG3 . 15317 1 64 . 1 1 6 6 LYS C C 13 176.0 0.2 . 1 . . . . 6 LYS C . 15317 1 65 . 1 1 6 6 LYS CA C 13 56.8 0.2 . 1 . . . . 6 LYS CA . 15317 1 66 . 1 1 6 6 LYS CB C 13 33.0 0.2 . 1 . . . . 6 LYS CB . 15317 1 67 . 1 1 6 6 LYS CD C 13 28.9 0.2 . 1 . . . . 6 LYS CD . 15317 1 68 . 1 1 6 6 LYS CE C 13 39.2 0.2 . 1 . . . . 6 LYS CE . 15317 1 69 . 1 1 6 6 LYS CG C 13 24.5 0.2 . 1 . . . . 6 LYS CG . 15317 1 70 . 1 1 6 6 LYS N N 15 123.4 0.2 . 1 . . . . 6 LYS N . 15317 1 71 . 1 1 7 7 TYR H H 1 8.15 0.02 . 1 . . . . 7 TYR H . 15317 1 72 . 1 1 7 7 TYR HA H 1 4.64 0.02 . 1 . . . . 7 TYR HA . 15317 1 73 . 1 1 7 7 TYR HB2 H 1 2.73 0.02 . 2 . . . . 7 TYR HB2 . 15317 1 74 . 1 1 7 7 TYR HB3 H 1 2.93 0.02 . 2 . . . . 7 TYR HB3 . 15317 1 75 . 1 1 7 7 TYR HD1 H 1 7.02 0.02 . 3 . . . . 7 TYR HD1 . 15317 1 76 . 1 1 7 7 TYR HD2 H 1 7.02 0.02 . 3 . . . . 7 TYR HD2 . 15317 1 77 . 1 1 7 7 TYR HE1 H 1 6.77 0.02 . 3 . . . . 7 TYR HE1 . 15317 1 78 . 1 1 7 7 TYR HE2 H 1 6.77 0.02 . 3 . . . . 7 TYR HE2 . 15317 1 79 . 1 1 7 7 TYR C C 13 175.4 0.2 . 1 . . . . 7 TYR C . 15317 1 80 . 1 1 7 7 TYR CA C 13 56.7 0.2 . 1 . . . . 7 TYR CA . 15317 1 81 . 1 1 7 7 TYR CB C 13 39.3 0.2 . 1 . . . . 7 TYR CB . 15317 1 82 . 1 1 7 7 TYR CD1 C 13 133.1 0.02 . 3 . . . . 7 TYR CD1 . 15317 1 83 . 1 1 7 7 TYR CD2 C 13 133.1 0.02 . 3 . . . . 7 TYR CD2 . 15317 1 84 . 1 1 7 7 TYR CE1 C 13 118.0 0.02 . 3 . . . . 7 TYR CE1 . 15317 1 85 . 1 1 7 7 TYR CE2 C 13 118.0 0.02 . 3 . . . . 7 TYR CE2 . 15317 1 86 . 1 1 7 7 TYR N N 15 120.0 0.2 . 1 . . . . 7 TYR N . 15317 1 87 . 1 1 8 8 SER H H 1 8.36 0.02 . 1 . . . . 8 SER H . 15317 1 88 . 1 1 8 8 SER HA H 1 4.40 0.02 . 1 . . . . 8 SER HA . 15317 1 89 . 1 1 8 8 SER HB2 H 1 3.94 0.02 . 2 . . . . 8 SER HB2 . 15317 1 90 . 1 1 8 8 SER HB3 H 1 4.15 0.02 . 2 . . . . 8 SER HB3 . 15317 1 91 . 1 1 8 8 SER C C 13 174.7 0.2 . 1 . . . . 8 SER C . 15317 1 92 . 1 1 8 8 SER CA C 13 57.6 0.2 . 1 . . . . 8 SER CA . 15317 1 93 . 1 1 8 8 SER CB C 13 64.0 0.2 . 1 . . . . 8 SER CB . 15317 1 94 . 1 1 8 8 SER N N 15 118.1 0.2 . 1 . . . . 8 SER N . 15317 1 95 . 1 1 9 9 ASN H H 1 8.90 0.02 . 1 . . . . 9 ASN H . 15317 1 96 . 1 1 9 9 ASN HA H 1 4.40 0.02 . 1 . . . . 9 ASN HA . 15317 1 97 . 1 1 9 9 ASN HB2 H 1 2.79 0.02 . 2 . . . . 9 ASN HB2 . 15317 1 98 . 1 1 9 9 ASN HB3 H 1 2.79 0.02 . 2 . . . . 9 ASN HB3 . 15317 1 99 . 1 1 9 9 ASN HD21 H 1 7.73 0.02 . 1 . . . . 9 ASN HD21 . 15317 1 100 . 1 1 9 9 ASN HD22 H 1 6.95 0.02 . 1 . . . . 9 ASN HD22 . 15317 1 101 . 1 1 9 9 ASN C C 13 176.8 0.2 . 1 . . . . 9 ASN C . 15317 1 102 . 1 1 9 9 ASN CA C 13 55.9 0.2 . 1 . . . . 9 ASN CA . 15317 1 103 . 1 1 9 9 ASN CB C 13 38.3 0.2 . 1 . . . . 9 ASN CB . 15317 1 104 . 1 1 9 9 ASN CG C 13 176.3 0.2 . 1 . . . . 9 ASN CG . 15317 1 105 . 1 1 9 9 ASN N N 15 122.3 0.2 . 1 . . . . 9 ASN N . 15317 1 106 . 1 1 9 9 ASN ND2 N 15 113.4 0.2 . 1 . . . . 9 ASN ND2 . 15317 1 107 . 1 1 10 10 GLU H H 1 8.74 0.02 . 1 . . . . 10 GLU H . 15317 1 108 . 1 1 10 10 GLU HA H 1 4.00 0.02 . 1 . . . . 10 GLU HA . 15317 1 109 . 1 1 10 10 GLU HB2 H 1 1.95 0.02 . 2 . . . . 10 GLU HB2 . 15317 1 110 . 1 1 10 10 GLU HB3 H 1 2.00 0.02 . 2 . . . . 10 GLU HB3 . 15317 1 111 . 1 1 10 10 GLU HG2 H 1 2.31 0.02 . 2 . . . . 10 GLU HG2 . 15317 1 112 . 1 1 10 10 GLU HG3 H 1 2.31 0.02 . 2 . . . . 10 GLU HG3 . 15317 1 113 . 1 1 10 10 GLU C C 13 178.5 0.2 . 1 . . . . 10 GLU C . 15317 1 114 . 1 1 10 10 GLU CA C 13 59.9 0.2 . 1 . . . . 10 GLU CA . 15317 1 115 . 1 1 10 10 GLU CB C 13 29.0 0.2 . 1 . . . . 10 GLU CB . 15317 1 116 . 1 1 10 10 GLU CG C 13 36.6 0.2 . 1 . . . . 10 GLU CG . 15317 1 117 . 1 1 10 10 GLU N N 15 119.0 0.2 . 1 . . . . 10 GLU N . 15317 1 118 . 1 1 11 11 ARG H H 1 7.75 0.02 . 1 . . . . 11 ARG H . 15317 1 119 . 1 1 11 11 ARG HA H 1 4.07 0.02 . 1 . . . . 11 ARG HA . 15317 1 120 . 1 1 11 11 ARG HB2 H 1 1.95 0.02 . 2 . . . . 11 ARG HB2 . 15317 1 121 . 1 1 11 11 ARG HB3 H 1 1.95 0.02 . 2 . . . . 11 ARG HB3 . 15317 1 122 . 1 1 11 11 ARG HD2 H 1 3.08 0.02 . 2 . . . . 11 ARG HD2 . 15317 1 123 . 1 1 11 11 ARG HD3 H 1 3.23 0.02 . 2 . . . . 11 ARG HD3 . 15317 1 124 . 1 1 11 11 ARG HE H 1 7.45 0.02 . 1 . . . . 11 ARG HE . 15317 1 125 . 1 1 11 11 ARG HG2 H 1 1.52 0.02 . 2 . . . . 11 ARG HG2 . 15317 1 126 . 1 1 11 11 ARG HG3 H 1 1.72 0.02 . 2 . . . . 11 ARG HG3 . 15317 1 127 . 1 1 11 11 ARG C C 13 178.0 0.2 . 1 . . . . 11 ARG C . 15317 1 128 . 1 1 11 11 ARG CA C 13 58.8 0.2 . 1 . . . . 11 ARG CA . 15317 1 129 . 1 1 11 11 ARG CB C 13 30.1 0.2 . 1 . . . . 11 ARG CB . 15317 1 130 . 1 1 11 11 ARG CD C 13 43.5 0.2 . 1 . . . . 11 ARG CD . 15317 1 131 . 1 1 11 11 ARG CG C 13 27.0 0.2 . 1 . . . . 11 ARG CG . 15317 1 132 . 1 1 11 11 ARG N N 15 121.5 0.2 . 1 . . . . 11 ARG N . 15317 1 133 . 1 1 11 11 ARG NE N 15 84.6 0.2 . 1 . . . . 11 ARG NE . 15317 1 134 . 1 1 12 12 VAL H H 1 7.83 0.02 . 1 . . . . 12 VAL H . 15317 1 135 . 1 1 12 12 VAL HA H 1 3.42 0.02 . 1 . . . . 12 VAL HA . 15317 1 136 . 1 1 12 12 VAL HB H 1 2.09 0.02 . 1 . . . . 12 VAL HB . 15317 1 137 . 1 1 12 12 VAL HG11 H 1 0.90 0.02 . 1 . . . . 12 VAL HG1 . 15317 1 138 . 1 1 12 12 VAL HG12 H 1 0.90 0.02 . 1 . . . . 12 VAL HG1 . 15317 1 139 . 1 1 12 12 VAL HG13 H 1 0.90 0.02 . 1 . . . . 12 VAL HG1 . 15317 1 140 . 1 1 12 12 VAL HG21 H 1 0.96 0.02 . 1 . . . . 12 VAL HG2 . 15317 1 141 . 1 1 12 12 VAL HG22 H 1 0.96 0.02 . 1 . . . . 12 VAL HG2 . 15317 1 142 . 1 1 12 12 VAL HG23 H 1 0.96 0.02 . 1 . . . . 12 VAL HG2 . 15317 1 143 . 1 1 12 12 VAL C C 13 177.4 0.2 . 1 . . . . 12 VAL C . 15317 1 144 . 1 1 12 12 VAL CA C 13 67.0 0.2 . 1 . . . . 12 VAL CA . 15317 1 145 . 1 1 12 12 VAL CB C 13 32.1 0.2 . 1 . . . . 12 VAL CB . 15317 1 146 . 1 1 12 12 VAL CG1 C 13 21.6 0.02 . 1 . . . . 12 VAL CG1 . 15317 1 147 . 1 1 12 12 VAL CG2 C 13 23.5 0.02 . 1 . . . . 12 VAL CG2 . 15317 1 148 . 1 1 12 12 VAL N N 15 118.8 0.2 . 1 . . . . 12 VAL N . 15317 1 149 . 1 1 13 13 GLU H H 1 8.22 0.02 . 1 . . . . 13 GLU H . 15317 1 150 . 1 1 13 13 GLU HA H 1 3.89 0.02 . 1 . . . . 13 GLU HA . 15317 1 151 . 1 1 13 13 GLU HB2 H 1 2.00 0.02 . 2 . . . . 13 GLU HB2 . 15317 1 152 . 1 1 13 13 GLU HB3 H 1 2.00 0.02 . 2 . . . . 13 GLU HB3 . 15317 1 153 . 1 1 13 13 GLU HG2 H 1 2.25 0.02 . 2 . . . . 13 GLU HG2 . 15317 1 154 . 1 1 13 13 GLU HG3 H 1 2.39 0.02 . 2 . . . . 13 GLU HG3 . 15317 1 155 . 1 1 13 13 GLU C C 13 178.9 0.2 . 1 . . . . 13 GLU C . 15317 1 156 . 1 1 13 13 GLU CA C 13 59.5 0.2 . 1 . . . . 13 GLU CA . 15317 1 157 . 1 1 13 13 GLU CB C 13 29.0 0.2 . 1 . . . . 13 GLU CB . 15317 1 158 . 1 1 13 13 GLU CG C 13 36.2 0.2 . 1 . . . . 13 GLU CG . 15317 1 159 . 1 1 13 13 GLU N N 15 116.8 0.2 . 1 . . . . 13 GLU N . 15317 1 160 . 1 1 14 14 LYS H H 1 7.60 0.02 . 1 . . . . 14 LYS H . 15317 1 161 . 1 1 14 14 LYS HA H 1 4.03 0.02 . 1 . . . . 14 LYS HA . 15317 1 162 . 1 1 14 14 LYS HB2 H 1 1.90 0.02 . 2 . . . . 14 LYS HB2 . 15317 1 163 . 1 1 14 14 LYS HB3 H 1 2.03 0.02 . 2 . . . . 14 LYS HB3 . 15317 1 164 . 1 1 14 14 LYS HD2 H 1 1.57 0.02 . 2 . . . . 14 LYS HD2 . 15317 1 165 . 1 1 14 14 LYS HD3 H 1 1.70 0.02 . 2 . . . . 14 LYS HD3 . 15317 1 166 . 1 1 14 14 LYS HE2 H 1 2.93 0.02 . 2 . . . . 14 LYS HE2 . 15317 1 167 . 1 1 14 14 LYS HE3 H 1 2.93 0.02 . 2 . . . . 14 LYS HE3 . 15317 1 168 . 1 1 14 14 LYS HG2 H 1 1.44 0.02 . 2 . . . . 14 LYS HG2 . 15317 1 169 . 1 1 14 14 LYS HG3 H 1 1.44 0.02 . 2 . . . . 14 LYS HG3 . 15317 1 170 . 1 1 14 14 LYS C C 13 177.7 0.2 . 1 . . . . 14 LYS C . 15317 1 171 . 1 1 14 14 LYS CA C 13 59.1 0.2 . 1 . . . . 14 LYS CA . 15317 1 172 . 1 1 14 14 LYS CB C 13 32.1 0.2 . 1 . . . . 14 LYS CB . 15317 1 173 . 1 1 14 14 LYS CD C 13 28.9 0.2 . 1 . . . . 14 LYS CD . 15317 1 174 . 1 1 14 14 LYS CE C 13 41.9 0.2 . 1 . . . . 14 LYS CE . 15317 1 175 . 1 1 14 14 LYS CG C 13 24.8 0.2 . 1 . . . . 14 LYS CG . 15317 1 176 . 1 1 14 14 LYS N N 15 120.4 0.2 . 1 . . . . 14 LYS N . 15317 1 177 . 1 1 15 15 ILE H H 1 7.83 0.02 . 1 . . . . 15 ILE H . 15317 1 178 . 1 1 15 15 ILE HA H 1 3.63 0.02 . 1 . . . . 15 ILE HA . 15317 1 179 . 1 1 15 15 ILE HB H 1 2.10 0.02 . 1 . . . . 15 ILE HB . 15317 1 180 . 1 1 15 15 ILE HD11 H 1 0.74 0.02 . 1 . . . . 15 ILE HD1 . 15317 1 181 . 1 1 15 15 ILE HD12 H 1 0.74 0.02 . 1 . . . . 15 ILE HD1 . 15317 1 182 . 1 1 15 15 ILE HD13 H 1 0.74 0.02 . 1 . . . . 15 ILE HD1 . 15317 1 183 . 1 1 15 15 ILE HG12 H 1 0.82 0.02 . 2 . . . . 15 ILE HG12 . 15317 1 184 . 1 1 15 15 ILE HG13 H 1 1.97 0.02 . 2 . . . . 15 ILE HG13 . 15317 1 185 . 1 1 15 15 ILE HG21 H 1 0.77 0.02 . 1 . . . . 15 ILE HG2 . 15317 1 186 . 1 1 15 15 ILE HG22 H 1 0.77 0.02 . 1 . . . . 15 ILE HG2 . 15317 1 187 . 1 1 15 15 ILE HG23 H 1 0.77 0.02 . 1 . . . . 15 ILE HG2 . 15317 1 188 . 1 1 15 15 ILE C C 13 178.2 0.2 . 1 . . . . 15 ILE C . 15317 1 189 . 1 1 15 15 ILE CA C 13 65.7 0.2 . 1 . . . . 15 ILE CA . 15317 1 190 . 1 1 15 15 ILE CB C 13 37.5 0.2 . 1 . . . . 15 ILE CB . 15317 1 191 . 1 1 15 15 ILE CD1 C 13 14.3 0.2 . 1 . . . . 15 ILE CD1 . 15317 1 192 . 1 1 15 15 ILE CG1 C 13 29.2 0.2 . 1 . . . . 15 ILE CG1 . 15317 1 193 . 1 1 15 15 ILE CG2 C 13 18.4 0.2 . 1 . . . . 15 ILE CG2 . 15317 1 194 . 1 1 15 15 ILE N N 15 119.7 0.2 . 1 . . . . 15 ILE N . 15317 1 195 . 1 1 16 16 ILE H H 1 8.08 0.02 . 1 . . . . 16 ILE H . 15317 1 196 . 1 1 16 16 ILE HA H 1 3.36 0.02 . 1 . . . . 16 ILE HA . 15317 1 197 . 1 1 16 16 ILE HB H 1 1.79 0.02 . 1 . . . . 16 ILE HB . 15317 1 198 . 1 1 16 16 ILE HD11 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 15317 1 199 . 1 1 16 16 ILE HD12 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 15317 1 200 . 1 1 16 16 ILE HD13 H 1 0.83 0.02 . 1 . . . . 16 ILE HD1 . 15317 1 201 . 1 1 16 16 ILE HG12 H 1 1.14 0.02 . 2 . . . . 16 ILE HG12 . 15317 1 202 . 1 1 16 16 ILE HG13 H 1 1.88 0.02 . 2 . . . . 16 ILE HG13 . 15317 1 203 . 1 1 16 16 ILE HG21 H 1 0.76 0.02 . 1 . . . . 16 ILE HG2 . 15317 1 204 . 1 1 16 16 ILE HG22 H 1 0.76 0.02 . 1 . . . . 16 ILE HG2 . 15317 1 205 . 1 1 16 16 ILE HG23 H 1 0.76 0.02 . 1 . . . . 16 ILE HG2 . 15317 1 206 . 1 1 16 16 ILE C C 13 177.5 0.2 . 1 . . . . 16 ILE C . 15317 1 207 . 1 1 16 16 ILE CA C 13 66.6 0.2 . 1 . . . . 16 ILE CA . 15317 1 208 . 1 1 16 16 ILE CB C 13 38.3 0.2 . 1 . . . . 16 ILE CB . 15317 1 209 . 1 1 16 16 ILE CD1 C 13 15.8 0.2 . 1 . . . . 16 ILE CD1 . 15317 1 210 . 1 1 16 16 ILE CG1 C 13 29.6 0.2 . 1 . . . . 16 ILE CG1 . 15317 1 211 . 1 1 16 16 ILE CG2 C 13 17.0 0.2 . 1 . . . . 16 ILE CG2 . 15317 1 212 . 1 1 16 16 ILE N N 15 117.9 0.2 . 1 . . . . 16 ILE N . 15317 1 213 . 1 1 17 17 GLN H H 1 8.01 0.02 . 1 . . . . 17 GLN H . 15317 1 214 . 1 1 17 17 GLN HA H 1 3.83 0.02 . 1 . . . . 17 GLN HA . 15317 1 215 . 1 1 17 17 GLN HB2 H 1 2.17 0.02 . 2 . . . . 17 GLN HB2 . 15317 1 216 . 1 1 17 17 GLN HB3 H 1 2.17 0.02 . 2 . . . . 17 GLN HB3 . 15317 1 217 . 1 1 17 17 GLN HE21 H 1 7.81 0.02 . 1 . . . . 17 GLN HE21 . 15317 1 218 . 1 1 17 17 GLN HE22 H 1 6.84 0.02 . 1 . . . . 17 GLN HE22 . 15317 1 219 . 1 1 17 17 GLN HG2 H 1 2.39 0.02 . 2 . . . . 17 GLN HG2 . 15317 1 220 . 1 1 17 17 GLN HG3 H 1 2.45 0.02 . 2 . . . . 17 GLN HG3 . 15317 1 221 . 1 1 17 17 GLN C C 13 178.0 0.2 . 1 . . . . 17 GLN C . 15317 1 222 . 1 1 17 17 GLN CA C 13 58.4 0.2 . 1 . . . . 17 GLN CA . 15317 1 223 . 1 1 17 17 GLN CB C 13 28.1 0.2 . 1 . . . . 17 GLN CB . 15317 1 224 . 1 1 17 17 GLN CG C 13 33.9 0.2 . 1 . . . . 17 GLN CG . 15317 1 225 . 1 1 17 17 GLN N N 15 117.9 0.2 . 1 . . . . 17 GLN N . 15317 1 226 . 1 1 17 17 GLN NE2 N 15 115.5 0.2 . 1 . . . . 17 GLN NE2 . 15317 1 227 . 1 1 18 18 ASP H H 1 8.71 0.02 . 1 . . . . 18 ASP H . 15317 1 228 . 1 1 18 18 ASP HA H 1 4.40 0.02 . 1 . . . . 18 ASP HA . 15317 1 229 . 1 1 18 18 ASP HB2 H 1 2.53 0.02 . 2 . . . . 18 ASP HB2 . 15317 1 230 . 1 1 18 18 ASP HB3 H 1 3.05 0.02 . 2 . . . . 18 ASP HB3 . 15317 1 231 . 1 1 18 18 ASP C C 13 179.8 0.2 . 1 . . . . 18 ASP C . 15317 1 232 . 1 1 18 18 ASP CA C 13 57.4 0.2 . 1 . . . . 18 ASP CA . 15317 1 233 . 1 1 18 18 ASP CB C 13 39.9 0.2 . 1 . . . . 18 ASP CB . 15317 1 234 . 1 1 18 18 ASP N N 15 121.0 0.2 . 1 . . . . 18 ASP N . 15317 1 235 . 1 1 19 19 LEU H H 1 8.26 0.02 . 1 . . . . 19 LEU H . 15317 1 236 . 1 1 19 19 LEU HA H 1 4.01 0.02 . 1 . . . . 19 LEU HA . 15317 1 237 . 1 1 19 19 LEU HB2 H 1 1.00 0.02 . 2 . . . . 19 LEU HB2 . 15317 1 238 . 1 1 19 19 LEU HB3 H 1 2.33 0.02 . 2 . . . . 19 LEU HB3 . 15317 1 239 . 1 1 19 19 LEU HD11 H 1 0.69 0.02 . 1 . . . . 19 LEU HD1 . 15317 1 240 . 1 1 19 19 LEU HD12 H 1 0.69 0.02 . 1 . . . . 19 LEU HD1 . 15317 1 241 . 1 1 19 19 LEU HD13 H 1 0.69 0.02 . 1 . . . . 19 LEU HD1 . 15317 1 242 . 1 1 19 19 LEU HD21 H 1 0.83 0.02 . 1 . . . . 19 LEU HD2 . 15317 1 243 . 1 1 19 19 LEU HD22 H 1 0.83 0.02 . 1 . . . . 19 LEU HD2 . 15317 1 244 . 1 1 19 19 LEU HD23 H 1 0.83 0.02 . 1 . . . . 19 LEU HD2 . 15317 1 245 . 1 1 19 19 LEU HG H 1 2.10 0.02 . 1 . . . . 19 LEU HG . 15317 1 246 . 1 1 19 19 LEU C C 13 178.2 0.2 . 1 . . . . 19 LEU C . 15317 1 247 . 1 1 19 19 LEU CA C 13 58.1 0.2 . 1 . . . . 19 LEU CA . 15317 1 248 . 1 1 19 19 LEU CB C 13 42.4 0.2 . 1 . . . . 19 LEU CB . 15317 1 249 . 1 1 19 19 LEU CD1 C 13 26.8 0.02 . 1 . . . . 19 LEU CD1 . 15317 1 250 . 1 1 19 19 LEU CD2 C 13 24.1 0.02 . 1 . . . . 19 LEU CD2 . 15317 1 251 . 1 1 19 19 LEU CG C 13 26.1 0.2 . 1 . . . . 19 LEU CG . 15317 1 252 . 1 1 19 19 LEU N N 15 120.8 0.2 . 1 . . . . 19 LEU N . 15317 1 253 . 1 1 20 20 LEU H H 1 8.16 0.02 . 1 . . . . 20 LEU H . 15317 1 254 . 1 1 20 20 LEU HA H 1 3.94 0.02 . 1 . . . . 20 LEU HA . 15317 1 255 . 1 1 20 20 LEU HB2 H 1 1.40 0.02 . 2 . . . . 20 LEU HB2 . 15317 1 256 . 1 1 20 20 LEU HB3 H 1 1.92 0.02 . 2 . . . . 20 LEU HB3 . 15317 1 257 . 1 1 20 20 LEU HD11 H 1 0.77 0.02 . 1 . . . . 20 LEU HD1 . 15317 1 258 . 1 1 20 20 LEU HD12 H 1 0.77 0.02 . 1 . . . . 20 LEU HD1 . 15317 1 259 . 1 1 20 20 LEU HD13 H 1 0.77 0.02 . 1 . . . . 20 LEU HD1 . 15317 1 260 . 1 1 20 20 LEU HD21 H 1 0.85 0.02 . 1 . . . . 20 LEU HD2 . 15317 1 261 . 1 1 20 20 LEU HD22 H 1 0.85 0.02 . 1 . . . . 20 LEU HD2 . 15317 1 262 . 1 1 20 20 LEU HD23 H 1 0.85 0.02 . 1 . . . . 20 LEU HD2 . 15317 1 263 . 1 1 20 20 LEU HG H 1 1.84 0.02 . 1 . . . . 20 LEU HG . 15317 1 264 . 1 1 20 20 LEU C C 13 180.1 0.2 . 1 . . . . 20 LEU C . 15317 1 265 . 1 1 20 20 LEU CA C 13 57.9 0.2 . 1 . . . . 20 LEU CA . 15317 1 266 . 1 1 20 20 LEU CB C 13 40.8 0.2 . 1 . . . . 20 LEU CB . 15317 1 267 . 1 1 20 20 LEU CD1 C 13 26.0 0.02 . 1 . . . . 20 LEU CD1 . 15317 1 268 . 1 1 20 20 LEU CD2 C 13 22.0 0.02 . 1 . . . . 20 LEU CD2 . 15317 1 269 . 1 1 20 20 LEU CG C 13 26.8 0.2 . 1 . . . . 20 LEU CG . 15317 1 270 . 1 1 20 20 LEU N N 15 117.3 0.2 . 1 . . . . 20 LEU N . 15317 1 271 . 1 1 21 21 ASP H H 1 9.00 0.02 . 1 . . . . 21 ASP H . 15317 1 272 . 1 1 21 21 ASP HA H 1 4.42 0.02 . 1 . . . . 21 ASP HA . 15317 1 273 . 1 1 21 21 ASP HB2 H 1 2.92 0.02 . 2 . . . . 21 ASP HB2 . 15317 1 274 . 1 1 21 21 ASP HB3 H 1 2.60 0.02 . 2 . . . . 21 ASP HB3 . 15317 1 275 . 1 1 21 21 ASP C C 13 179.0 0.2 . 1 . . . . 21 ASP C . 15317 1 276 . 1 1 21 21 ASP CA C 13 57.3 0.2 . 1 . . . . 21 ASP CA . 15317 1 277 . 1 1 21 21 ASP CB C 13 40.5 0.2 . 1 . . . . 21 ASP CB . 15317 1 278 . 1 1 21 21 ASP N N 15 120.0 0.2 . 1 . . . . 21 ASP N . 15317 1 279 . 1 1 22 22 VAL H H 1 7.37 0.02 . 1 . . . . 22 VAL H . 15317 1 280 . 1 1 22 22 VAL HA H 1 3.60 0.02 . 1 . . . . 22 VAL HA . 15317 1 281 . 1 1 22 22 VAL HB H 1 2.42 0.02 . 1 . . . . 22 VAL HB . 15317 1 282 . 1 1 22 22 VAL HG11 H 1 0.94 0.02 . 1 . . . . 22 VAL HG1 . 15317 1 283 . 1 1 22 22 VAL HG12 H 1 0.94 0.02 . 1 . . . . 22 VAL HG1 . 15317 1 284 . 1 1 22 22 VAL HG13 H 1 0.94 0.02 . 1 . . . . 22 VAL HG1 . 15317 1 285 . 1 1 22 22 VAL HG21 H 1 1.09 0.02 . 1 . . . . 22 VAL HG2 . 15317 1 286 . 1 1 22 22 VAL HG22 H 1 1.09 0.02 . 1 . . . . 22 VAL HG2 . 15317 1 287 . 1 1 22 22 VAL HG23 H 1 1.09 0.02 . 1 . . . . 22 VAL HG2 . 15317 1 288 . 1 1 22 22 VAL C C 13 177.7 0.2 . 1 . . . . 22 VAL C . 15317 1 289 . 1 1 22 22 VAL CA C 13 66.3 0.2 . 1 . . . . 22 VAL CA . 15317 1 290 . 1 1 22 22 VAL CB C 13 32.0 0.2 . 1 . . . . 22 VAL CB . 15317 1 291 . 1 1 22 22 VAL CG1 C 13 22.0 0.02 . 1 . . . . 22 VAL CG1 . 15317 1 292 . 1 1 22 22 VAL CG2 C 13 22.4 0.02 . 1 . . . . 22 VAL CG2 . 15317 1 293 . 1 1 22 22 VAL N N 15 119.8 0.2 . 1 . . . . 22 VAL N . 15317 1 294 . 1 1 23 23 LEU H H 1 6.88 0.02 . 1 . . . . 23 LEU H . 15317 1 295 . 1 1 23 23 LEU HA H 1 3.88 0.02 . 1 . . . . 23 LEU HA . 15317 1 296 . 1 1 23 23 LEU HB2 H 1 1.39 0.02 . 2 . . . . 23 LEU HB2 . 15317 1 297 . 1 1 23 23 LEU HB3 H 1 2.17 0.02 . 2 . . . . 23 LEU HB3 . 15317 1 298 . 1 1 23 23 LEU HD11 H 1 0.77 0.02 . 1 . . . . 23 LEU HD1 . 15317 1 299 . 1 1 23 23 LEU HD12 H 1 0.77 0.02 . 1 . . . . 23 LEU HD1 . 15317 1 300 . 1 1 23 23 LEU HD13 H 1 0.77 0.02 . 1 . . . . 23 LEU HD1 . 15317 1 301 . 1 1 23 23 LEU HD21 H 1 0.87 0.02 . 1 . . . . 23 LEU HD2 . 15317 1 302 . 1 1 23 23 LEU HD22 H 1 0.87 0.02 . 1 . . . . 23 LEU HD2 . 15317 1 303 . 1 1 23 23 LEU HD23 H 1 0.87 0.02 . 1 . . . . 23 LEU HD2 . 15317 1 304 . 1 1 23 23 LEU HG H 1 1.97 0.02 . 1 . . . . 23 LEU HG . 15317 1 305 . 1 1 23 23 LEU C C 13 179.1 0.2 . 1 . . . . 23 LEU C . 15317 1 306 . 1 1 23 23 LEU CA C 13 57.1 0.2 . 1 . . . . 23 LEU CA . 15317 1 307 . 1 1 23 23 LEU CB C 13 40.6 0.2 . 1 . . . . 23 LEU CB . 15317 1 308 . 1 1 23 23 LEU CD1 C 13 22.6 0.02 . 1 . . . . 23 LEU CD1 . 15317 1 309 . 1 1 23 23 LEU CD2 C 13 26.1 0.02 . 1 . . . . 23 LEU CD2 . 15317 1 310 . 1 1 23 23 LEU CG C 13 26.1 0.2 . 1 . . . . 23 LEU CG . 15317 1 311 . 1 1 23 23 LEU N N 15 116.5 0.2 . 1 . . . . 23 LEU N . 15317 1 312 . 1 1 24 24 VAL H H 1 8.43 0.02 . 1 . . . . 24 VAL H . 15317 1 313 . 1 1 24 24 VAL HA H 1 3.78 0.02 . 1 . . . . 24 VAL HA . 15317 1 314 . 1 1 24 24 VAL HB H 1 2.11 0.02 . 1 . . . . 24 VAL HB . 15317 1 315 . 1 1 24 24 VAL HG11 H 1 0.93 0.02 . 1 . . . . 24 VAL HG1 . 15317 1 316 . 1 1 24 24 VAL HG12 H 1 0.93 0.02 . 1 . . . . 24 VAL HG1 . 15317 1 317 . 1 1 24 24 VAL HG13 H 1 0.93 0.02 . 1 . . . . 24 VAL HG1 . 15317 1 318 . 1 1 24 24 VAL HG21 H 1 1.05 0.02 . 1 . . . . 24 VAL HG2 . 15317 1 319 . 1 1 24 24 VAL HG22 H 1 1.05 0.02 . 1 . . . . 24 VAL HG2 . 15317 1 320 . 1 1 24 24 VAL HG23 H 1 1.05 0.02 . 1 . . . . 24 VAL HG2 . 15317 1 321 . 1 1 24 24 VAL C C 13 180.8 0.2 . 1 . . . . 24 VAL C . 15317 1 322 . 1 1 24 24 VAL CA C 13 65.9 0.2 . 1 . . . . 24 VAL CA . 15317 1 323 . 1 1 24 24 VAL CB C 13 32.2 0.2 . 1 . . . . 24 VAL CB . 15317 1 324 . 1 1 24 24 VAL CG1 C 13 21.1 0.02 . 1 . . . . 24 VAL CG1 . 15317 1 325 . 1 1 24 24 VAL CG2 C 13 22.7 0.02 . 1 . . . . 24 VAL CG2 . 15317 1 326 . 1 1 24 24 VAL N N 15 120.3 0.2 . 1 . . . . 24 VAL N . 15317 1 327 . 1 1 25 25 LYS H H 1 8.38 0.02 . 1 . . . . 25 LYS H . 15317 1 328 . 1 1 25 25 LYS HA H 1 4.03 0.02 . 1 . . . . 25 LYS HA . 15317 1 329 . 1 1 25 25 LYS HB2 H 1 1.92 0.02 . 2 . . . . 25 LYS HB2 . 15317 1 330 . 1 1 25 25 LYS HB3 H 1 1.92 0.02 . 2 . . . . 25 LYS HB3 . 15317 1 331 . 1 1 25 25 LYS HD2 H 1 1.65 0.02 . 2 . . . . 25 LYS HD2 . 15317 1 332 . 1 1 25 25 LYS HD3 H 1 1.65 0.02 . 2 . . . . 25 LYS HD3 . 15317 1 333 . 1 1 25 25 LYS HE2 H 1 2.91 0.02 . 2 . . . . 25 LYS HE2 . 15317 1 334 . 1 1 25 25 LYS HE3 H 1 2.91 0.02 . 2 . . . . 25 LYS HE3 . 15317 1 335 . 1 1 25 25 LYS HG2 H 1 1.47 0.02 . 2 . . . . 25 LYS HG2 . 15317 1 336 . 1 1 25 25 LYS HG3 H 1 1.55 0.02 . 2 . . . . 25 LYS HG3 . 15317 1 337 . 1 1 25 25 LYS C C 13 178.5 0.2 . 1 . . . . 25 LYS C . 15317 1 338 . 1 1 25 25 LYS CA C 13 59.4 0.2 . 1 . . . . 25 LYS CA . 15317 1 339 . 1 1 25 25 LYS CB C 13 32.3 0.2 . 1 . . . . 25 LYS CB . 15317 1 340 . 1 1 25 25 LYS CD C 13 29.2 0.2 . 1 . . . . 25 LYS CD . 15317 1 341 . 1 1 25 25 LYS CE C 13 42.0 0.2 . 1 . . . . 25 LYS CE . 15317 1 342 . 1 1 25 25 LYS CG C 13 25.3 0.2 . 1 . . . . 25 LYS CG . 15317 1 343 . 1 1 25 25 LYS N N 15 121.9 0.2 . 1 . . . . 25 LYS N . 15317 1 344 . 1 1 26 26 GLU H H 1 7.36 0.02 . 1 . . . . 26 GLU H . 15317 1 345 . 1 1 26 26 GLU HA H 1 4.33 0.02 . 1 . . . . 26 GLU HA . 15317 1 346 . 1 1 26 26 GLU HB2 H 1 1.79 0.02 . 2 . . . . 26 GLU HB2 . 15317 1 347 . 1 1 26 26 GLU HB3 H 1 2.30 0.02 . 2 . . . . 26 GLU HB3 . 15317 1 348 . 1 1 26 26 GLU HG2 H 1 2.30 0.02 . 2 . . . . 26 GLU HG2 . 15317 1 349 . 1 1 26 26 GLU HG3 H 1 2.45 0.02 . 2 . . . . 26 GLU HG3 . 15317 1 350 . 1 1 26 26 GLU C C 13 175.0 0.2 . 1 . . . . 26 GLU C . 15317 1 351 . 1 1 26 26 GLU CA C 13 56.0 0.2 . 1 . . . . 26 GLU CA . 15317 1 352 . 1 1 26 26 GLU CB C 13 29.8 0.2 . 1 . . . . 26 GLU CB . 15317 1 353 . 1 1 26 26 GLU CG C 13 35.4 0.2 . 1 . . . . 26 GLU CG . 15317 1 354 . 1 1 26 26 GLU N N 15 115.0 0.2 . 1 . . . . 26 GLU N . 15317 1 355 . 1 1 27 27 GLU H H 1 7.98 0.02 . 1 . . . . 27 GLU H . 15317 1 356 . 1 1 27 27 GLU HA H 1 3.95 0.02 . 1 . . . . 27 GLU HA . 15317 1 357 . 1 1 27 27 GLU HB2 H 1 2.15 0.02 . 2 . . . . 27 GLU HB2 . 15317 1 358 . 1 1 27 27 GLU HB3 H 1 2.15 0.02 . 2 . . . . 27 GLU HB3 . 15317 1 359 . 1 1 27 27 GLU HG2 H 1 2.19 0.02 . 2 . . . . 27 GLU HG2 . 15317 1 360 . 1 1 27 27 GLU HG3 H 1 2.19 0.02 . 2 . . . . 27 GLU HG3 . 15317 1 361 . 1 1 27 27 GLU C C 13 175.9 0.2 . 1 . . . . 27 GLU C . 15317 1 362 . 1 1 27 27 GLU CA C 13 56.9 0.2 . 1 . . . . 27 GLU CA . 15317 1 363 . 1 1 27 27 GLU CB C 13 27.1 0.2 . 1 . . . . 27 GLU CB . 15317 1 364 . 1 1 27 27 GLU CG C 13 36.6 0.2 . 1 . . . . 27 GLU CG . 15317 1 365 . 1 1 27 27 GLU N N 15 116.3 0.2 . 1 . . . . 27 GLU N . 15317 1 366 . 1 1 28 28 VAL H H 1 7.37 0.02 . 1 . . . . 28 VAL H . 15317 1 367 . 1 1 28 28 VAL HA H 1 4.20 0.02 . 1 . . . . 28 VAL HA . 15317 1 368 . 1 1 28 28 VAL HB H 1 2.13 0.02 . 1 . . . . 28 VAL HB . 15317 1 369 . 1 1 28 28 VAL HG11 H 1 0.93 0.02 . 1 . . . . 28 VAL HG1 . 15317 1 370 . 1 1 28 28 VAL HG12 H 1 0.93 0.02 . 1 . . . . 28 VAL HG1 . 15317 1 371 . 1 1 28 28 VAL HG13 H 1 0.93 0.02 . 1 . . . . 28 VAL HG1 . 15317 1 372 . 1 1 28 28 VAL HG21 H 1 0.61 0.02 . 1 . . . . 28 VAL HG2 . 15317 1 373 . 1 1 28 28 VAL HG22 H 1 0.61 0.02 . 1 . . . . 28 VAL HG2 . 15317 1 374 . 1 1 28 28 VAL HG23 H 1 0.61 0.02 . 1 . . . . 28 VAL HG2 . 15317 1 375 . 1 1 28 28 VAL C C 13 176.7 0.2 . 1 . . . . 28 VAL C . 15317 1 376 . 1 1 28 28 VAL CA C 13 61.6 0.2 . 1 . . . . 28 VAL CA . 15317 1 377 . 1 1 28 28 VAL CB C 13 32.6 0.2 . 1 . . . . 28 VAL CB . 15317 1 378 . 1 1 28 28 VAL CG1 C 13 22.6 0.02 . 1 . . . . 28 VAL CG1 . 15317 1 379 . 1 1 28 28 VAL CG2 C 13 25.4 0.02 . 1 . . . . 28 VAL CG2 . 15317 1 380 . 1 1 28 28 VAL N N 15 112.2 0.2 . 1 . . . . 28 VAL N . 15317 1 381 . 1 1 29 29 THR H H 1 7.40 0.02 . 1 . . . . 29 THR H . 15317 1 382 . 1 1 29 29 THR HA H 1 4.64 0.02 . 1 . . . . 29 THR HA . 15317 1 383 . 1 1 29 29 THR HB H 1 4.66 0.02 . 1 . . . . 29 THR HB . 15317 1 384 . 1 1 29 29 THR HG21 H 1 1.44 0.02 . 1 . . . . 29 THR HG2 . 15317 1 385 . 1 1 29 29 THR HG22 H 1 1.44 0.02 . 1 . . . . 29 THR HG2 . 15317 1 386 . 1 1 29 29 THR HG23 H 1 1.44 0.02 . 1 . . . . 29 THR HG2 . 15317 1 387 . 1 1 29 29 THR CA C 13 59.9 0.2 . 1 . . . . 29 THR CA . 15317 1 388 . 1 1 29 29 THR CB C 13 67.9 0.2 . 1 . . . . 29 THR CB . 15317 1 389 . 1 1 29 29 THR CG2 C 13 22.7 0.2 . 1 . . . . 29 THR CG2 . 15317 1 390 . 1 1 29 29 THR N N 15 113.9 0.2 . 1 . . . . 29 THR N . 15317 1 391 . 1 1 30 30 PRO HA H 1 4.13 0.02 . 1 . . . . 30 PRO HA . 15317 1 392 . 1 1 30 30 PRO HB2 H 1 1.84 0.02 . 2 . . . . 30 PRO HB2 . 15317 1 393 . 1 1 30 30 PRO HB3 H 1 2.10 0.02 . 2 . . . . 30 PRO HB3 . 15317 1 394 . 1 1 30 30 PRO HD2 H 1 3.84 0.02 . 2 . . . . 30 PRO HD2 . 15317 1 395 . 1 1 30 30 PRO HD3 H 1 3.92 0.02 . 2 . . . . 30 PRO HD3 . 15317 1 396 . 1 1 30 30 PRO HG2 H 1 2.03 0.02 . 2 . . . . 30 PRO HG2 . 15317 1 397 . 1 1 30 30 PRO HG3 H 1 2.12 0.02 . 2 . . . . 30 PRO HG3 . 15317 1 398 . 1 1 30 30 PRO C C 13 177.6 0.2 . 1 . . . . 30 PRO C . 15317 1 399 . 1 1 30 30 PRO CA C 13 66.3 0.2 . 1 . . . . 30 PRO CA . 15317 1 400 . 1 1 30 30 PRO CB C 13 31.5 0.2 . 1 . . . . 30 PRO CB . 15317 1 401 . 1 1 30 30 PRO CD C 13 50.2 0.2 . 1 . . . . 30 PRO CD . 15317 1 402 . 1 1 30 30 PRO CG C 13 27.9 0.2 . 1 . . . . 30 PRO CG . 15317 1 403 . 1 1 31 31 ASP H H 1 8.39 0.02 . 1 . . . . 31 ASP H . 15317 1 404 . 1 1 31 31 ASP HA H 1 4.24 0.02 . 1 . . . . 31 ASP HA . 15317 1 405 . 1 1 31 31 ASP HB2 H 1 2.55 0.02 . 2 . . . . 31 ASP HB2 . 15317 1 406 . 1 1 31 31 ASP HB3 H 1 2.67 0.02 . 2 . . . . 31 ASP HB3 . 15317 1 407 . 1 1 31 31 ASP C C 13 178.9 0.2 . 1 . . . . 31 ASP C . 15317 1 408 . 1 1 31 31 ASP CA C 13 57.0 0.2 . 1 . . . . 31 ASP CA . 15317 1 409 . 1 1 31 31 ASP CB C 13 40.0 0.2 . 1 . . . . 31 ASP CB . 15317 1 410 . 1 1 31 31 ASP N N 15 113.2 0.2 . 1 . . . . 31 ASP N . 15317 1 411 . 1 1 32 32 LEU H H 1 7.46 0.02 . 1 . . . . 32 LEU H . 15317 1 412 . 1 1 32 32 LEU HA H 1 4.19 0.02 . 1 . . . . 32 LEU HA . 15317 1 413 . 1 1 32 32 LEU HB2 H 1 1.62 0.02 . 2 . . . . 32 LEU HB2 . 15317 1 414 . 1 1 32 32 LEU HB3 H 1 1.31 0.02 . 2 . . . . 32 LEU HB3 . 15317 1 415 . 1 1 32 32 LEU HD11 H 1 0.71 0.02 . 1 . . . . 32 LEU HD1 . 15317 1 416 . 1 1 32 32 LEU HD12 H 1 0.71 0.02 . 1 . . . . 32 LEU HD1 . 15317 1 417 . 1 1 32 32 LEU HD13 H 1 0.71 0.02 . 1 . . . . 32 LEU HD1 . 15317 1 418 . 1 1 32 32 LEU HD21 H 1 0.62 0.02 . 1 . . . . 32 LEU HD2 . 15317 1 419 . 1 1 32 32 LEU HD22 H 1 0.62 0.02 . 1 . . . . 32 LEU HD2 . 15317 1 420 . 1 1 32 32 LEU HD23 H 1 0.62 0.02 . 1 . . . . 32 LEU HD2 . 15317 1 421 . 1 1 32 32 LEU HG H 1 1.34 0.02 . 1 . . . . 32 LEU HG . 15317 1 422 . 1 1 32 32 LEU C C 13 178.9 0.2 . 1 . . . . 32 LEU C . 15317 1 423 . 1 1 32 32 LEU CA C 13 57.0 0.2 . 1 . . . . 32 LEU CA . 15317 1 424 . 1 1 32 32 LEU CB C 13 41.3 0.2 . 1 . . . . 32 LEU CB . 15317 1 425 . 1 1 32 32 LEU CD1 C 13 24.0 0.02 . 1 . . . . 32 LEU CD1 . 15317 1 426 . 1 1 32 32 LEU CD2 C 13 25.4 0.02 . 1 . . . . 32 LEU CD2 . 15317 1 427 . 1 1 32 32 LEU CG C 13 27.0 0.2 . 1 . . . . 32 LEU CG . 15317 1 428 . 1 1 32 32 LEU N N 15 123.0 0.2 . 1 . . . . 32 LEU N . 15317 1 429 . 1 1 33 33 ALA H H 1 8.93 0.02 . 1 . . . . 33 ALA H . 15317 1 430 . 1 1 33 33 ALA HA H 1 3.73 0.02 . 1 . . . . 33 ALA HA . 15317 1 431 . 1 1 33 33 ALA HB1 H 1 1.48 0.02 . 1 . . . . 33 ALA HB . 15317 1 432 . 1 1 33 33 ALA HB2 H 1 1.48 0.02 . 1 . . . . 33 ALA HB . 15317 1 433 . 1 1 33 33 ALA HB3 H 1 1.48 0.02 . 1 . . . . 33 ALA HB . 15317 1 434 . 1 1 33 33 ALA C C 13 179.8 0.2 . 1 . . . . 33 ALA C . 15317 1 435 . 1 1 33 33 ALA CA C 13 55.9 0.2 . 1 . . . . 33 ALA CA . 15317 1 436 . 1 1 33 33 ALA CB C 13 19.1 0.2 . 1 . . . . 33 ALA CB . 15317 1 437 . 1 1 33 33 ALA N N 15 122.7 0.2 . 1 . . . . 33 ALA N . 15317 1 438 . 1 1 34 34 LEU H H 1 8.42 0.02 . 1 . . . . 34 LEU H . 15317 1 439 . 1 1 34 34 LEU HA H 1 4.01 0.02 . 1 . . . . 34 LEU HA . 15317 1 440 . 1 1 34 34 LEU HB2 H 1 1.57 0.02 . 2 . . . . 34 LEU HB2 . 15317 1 441 . 1 1 34 34 LEU HB3 H 1 1.98 0.02 . 2 . . . . 34 LEU HB3 . 15317 1 442 . 1 1 34 34 LEU HD11 H 1 0.66 0.02 . 1 . . . . 34 LEU HD1 . 15317 1 443 . 1 1 34 34 LEU HD12 H 1 0.66 0.02 . 1 . . . . 34 LEU HD1 . 15317 1 444 . 1 1 34 34 LEU HD13 H 1 0.66 0.02 . 1 . . . . 34 LEU HD1 . 15317 1 445 . 1 1 34 34 LEU HD21 H 1 0.53 0.02 . 1 . . . . 34 LEU HD2 . 15317 1 446 . 1 1 34 34 LEU HD22 H 1 0.53 0.02 . 1 . . . . 34 LEU HD2 . 15317 1 447 . 1 1 34 34 LEU HD23 H 1 0.53 0.02 . 1 . . . . 34 LEU HD2 . 15317 1 448 . 1 1 34 34 LEU HG H 1 1.83 0.02 . 1 . . . . 34 LEU HG . 15317 1 449 . 1 1 34 34 LEU C C 13 179.7 0.2 . 1 . . . . 34 LEU C . 15317 1 450 . 1 1 34 34 LEU CA C 13 58.2 0.2 . 1 . . . . 34 LEU CA . 15317 1 451 . 1 1 34 34 LEU CB C 13 41.2 0.2 . 1 . . . . 34 LEU CB . 15317 1 452 . 1 1 34 34 LEU CD1 C 13 25.6 0.02 . 1 . . . . 34 LEU CD1 . 15317 1 453 . 1 1 34 34 LEU CD2 C 13 23.6 0.02 . 1 . . . . 34 LEU CD2 . 15317 1 454 . 1 1 34 34 LEU CG C 13 26.9 0.2 . 1 . . . . 34 LEU CG . 15317 1 455 . 1 1 34 34 LEU N N 15 115.8 0.2 . 1 . . . . 34 LEU N . 15317 1 456 . 1 1 35 35 MET H H 1 7.73 0.02 . 1 . . . . 35 MET H . 15317 1 457 . 1 1 35 35 MET HA H 1 4.24 0.02 . 1 . . . . 35 MET HA . 15317 1 458 . 1 1 35 35 MET HB2 H 1 2.31 0.02 . 2 . . . . 35 MET HB2 . 15317 1 459 . 1 1 35 35 MET HB3 H 1 2.31 0.02 . 2 . . . . 35 MET HB3 . 15317 1 460 . 1 1 35 35 MET HE1 H 1 2.06 0.02 . 1 . . . . 35 MET HE . 15317 1 461 . 1 1 35 35 MET HE2 H 1 2.06 0.02 . 1 . . . . 35 MET HE . 15317 1 462 . 1 1 35 35 MET HE3 H 1 2.06 0.02 . 1 . . . . 35 MET HE . 15317 1 463 . 1 1 35 35 MET HG2 H 1 2.42 0.02 . 2 . . . . 35 MET HG2 . 15317 1 464 . 1 1 35 35 MET HG3 H 1 2.70 0.02 . 2 . . . . 35 MET HG3 . 15317 1 465 . 1 1 35 35 MET C C 13 179.5 0.2 . 1 . . . . 35 MET C . 15317 1 466 . 1 1 35 35 MET CA C 13 59.3 0.2 . 1 . . . . 35 MET CA . 15317 1 467 . 1 1 35 35 MET CB C 13 32.9 0.2 . 1 . . . . 35 MET CB . 15317 1 468 . 1 1 35 35 MET CE C 13 17.3 0.2 . 1 . . . . 35 MET CE . 15317 1 469 . 1 1 35 35 MET CG C 13 31.6 0.2 . 1 . . . . 35 MET CG . 15317 1 470 . 1 1 35 35 MET N N 15 121.4 0.2 . 1 . . . . 35 MET N . 15317 1 471 . 1 1 36 36 CYS H H 1 8.42 0.02 . 1 . . . . 36 CYS H . 15317 1 472 . 1 1 36 36 CYS HA H 1 3.95 0.02 . 1 . . . . 36 CYS HA . 15317 1 473 . 1 1 36 36 CYS HB2 H 1 2.42 0.02 . 2 . . . . 36 CYS HB2 . 15317 1 474 . 1 1 36 36 CYS HB3 H 1 2.96 0.02 . 2 . . . . 36 CYS HB3 . 15317 1 475 . 1 1 36 36 CYS C C 13 177.0 0.2 . 1 . . . . 36 CYS C . 15317 1 476 . 1 1 36 36 CYS CA C 13 64.2 0.2 . 1 . . . . 36 CYS CA . 15317 1 477 . 1 1 36 36 CYS CB C 13 27.2 0.2 . 1 . . . . 36 CYS CB . 15317 1 478 . 1 1 36 36 CYS N N 15 118.6 0.2 . 1 . . . . 36 CYS N . 15317 1 479 . 1 1 37 37 LEU H H 1 9.02 0.02 . 1 . . . . 37 LEU H . 15317 1 480 . 1 1 37 37 LEU HA H 1 3.94 0.02 . 1 . . . . 37 LEU HA . 15317 1 481 . 1 1 37 37 LEU HB2 H 1 1.31 0.02 . 2 . . . . 37 LEU HB2 . 15317 1 482 . 1 1 37 37 LEU HB3 H 1 2.03 0.02 . 2 . . . . 37 LEU HB3 . 15317 1 483 . 1 1 37 37 LEU HD11 H 1 0.67 0.02 . 1 . . . . 37 LEU HD1 . 15317 1 484 . 1 1 37 37 LEU HD12 H 1 0.67 0.02 . 1 . . . . 37 LEU HD1 . 15317 1 485 . 1 1 37 37 LEU HD13 H 1 0.67 0.02 . 1 . . . . 37 LEU HD1 . 15317 1 486 . 1 1 37 37 LEU HD21 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15317 1 487 . 1 1 37 37 LEU HD22 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15317 1 488 . 1 1 37 37 LEU HD23 H 1 0.87 0.02 . 1 . . . . 37 LEU HD2 . 15317 1 489 . 1 1 37 37 LEU HG H 1 1.73 0.02 . 1 . . . . 37 LEU HG . 15317 1 490 . 1 1 37 37 LEU C C 13 179.1 0.2 . 1 . . . . 37 LEU C . 15317 1 491 . 1 1 37 37 LEU CA C 13 58.3 0.2 . 1 . . . . 37 LEU CA . 15317 1 492 . 1 1 37 37 LEU CB C 13 42.2 0.2 . 1 . . . . 37 LEU CB . 15317 1 493 . 1 1 37 37 LEU CD1 C 13 26.0 0.02 . 1 . . . . 37 LEU CD1 . 15317 1 494 . 1 1 37 37 LEU CD2 C 13 24.2 0.02 . 1 . . . . 37 LEU CD2 . 15317 1 495 . 1 1 37 37 LEU CG C 13 27.7 0.2 . 1 . . . . 37 LEU CG . 15317 1 496 . 1 1 37 37 LEU N N 15 119.6 0.2 . 1 . . . . 37 LEU N . 15317 1 497 . 1 1 38 38 GLY H H 1 8.94 0.02 . 1 . . . . 38 GLY H . 15317 1 498 . 1 1 38 38 GLY HA2 H 1 3.61 0.02 . 2 . . . . 38 GLY HA2 . 15317 1 499 . 1 1 38 38 GLY HA3 H 1 3.97 0.02 . 2 . . . . 38 GLY HA3 . 15317 1 500 . 1 1 38 38 GLY C C 13 179.8 0.2 . 1 . . . . 38 GLY C . 15317 1 501 . 1 1 38 38 GLY CA C 13 47.9 0.2 . 1 . . . . 38 GLY CA . 15317 1 502 . 1 1 38 38 GLY N N 15 106.6 0.2 . 1 . . . . 38 GLY N . 15317 1 503 . 1 1 39 39 ASN H H 1 7.79 0.02 . 1 . . . . 39 ASN H . 15317 1 504 . 1 1 39 39 ASN HA H 1 4.44 0.02 . 1 . . . . 39 ASN HA . 15317 1 505 . 1 1 39 39 ASN HB2 H 1 2.62 0.02 . 2 . . . . 39 ASN HB2 . 15317 1 506 . 1 1 39 39 ASN HB3 H 1 2.77 0.02 . 2 . . . . 39 ASN HB3 . 15317 1 507 . 1 1 39 39 ASN HD21 H 1 7.15 0.02 . 2 . . . . 39 ASN HD21 . 15317 1 508 . 1 1 39 39 ASN HD22 H 1 7.15 0.02 . 2 . . . . 39 ASN HD22 . 15317 1 509 . 1 1 39 39 ASN C C 13 178.0 0.2 . 1 . . . . 39 ASN C . 15317 1 510 . 1 1 39 39 ASN CA C 13 56.3 0.2 . 1 . . . . 39 ASN CA . 15317 1 511 . 1 1 39 39 ASN CB C 13 39.5 0.2 . 1 . . . . 39 ASN CB . 15317 1 512 . 1 1 39 39 ASN CG C 13 175.8 0.2 . 1 . . . . 39 ASN CG . 15317 1 513 . 1 1 39 39 ASN N N 15 120.9 0.2 . 1 . . . . 39 ASN N . 15317 1 514 . 1 1 39 39 ASN ND2 N 15 111.8 0.2 . 1 . . . . 39 ASN ND2 . 15317 1 515 . 1 1 40 40 ALA H H 1 8.26 0.02 . 1 . . . . 40 ALA H . 15317 1 516 . 1 1 40 40 ALA HA H 1 3.97 0.02 . 1 . . . . 40 ALA HA . 15317 1 517 . 1 1 40 40 ALA HB1 H 1 1.47 0.02 . 1 . . . . 40 ALA HB . 15317 1 518 . 1 1 40 40 ALA HB2 H 1 1.47 0.02 . 1 . . . . 40 ALA HB . 15317 1 519 . 1 1 40 40 ALA HB3 H 1 1.47 0.02 . 1 . . . . 40 ALA HB . 15317 1 520 . 1 1 40 40 ALA C C 13 178.2 0.2 . 1 . . . . 40 ALA C . 15317 1 521 . 1 1 40 40 ALA CA C 13 55.9 0.2 . 1 . . . . 40 ALA CA . 15317 1 522 . 1 1 40 40 ALA CB C 13 17.2 0.2 . 1 . . . . 40 ALA CB . 15317 1 523 . 1 1 40 40 ALA N N 15 123.9 0.2 . 1 . . . . 40 ALA N . 15317 1 524 . 1 1 41 41 VAL H H 1 8.41 0.02 . 1 . . . . 41 VAL H . 15317 1 525 . 1 1 41 41 VAL HA H 1 3.18 0.02 . 1 . . . . 41 VAL HA . 15317 1 526 . 1 1 41 41 VAL HB H 1 2.23 0.02 . 1 . . . . 41 VAL HB . 15317 1 527 . 1 1 41 41 VAL HG11 H 1 0.29 0.02 . 1 . . . . 41 VAL HG1 . 15317 1 528 . 1 1 41 41 VAL HG12 H 1 0.29 0.02 . 1 . . . . 41 VAL HG1 . 15317 1 529 . 1 1 41 41 VAL HG13 H 1 0.29 0.02 . 1 . . . . 41 VAL HG1 . 15317 1 530 . 1 1 41 41 VAL HG21 H 1 0.97 0.02 . 1 . . . . 41 VAL HG2 . 15317 1 531 . 1 1 41 41 VAL HG22 H 1 0.97 0.02 . 1 . . . . 41 VAL HG2 . 15317 1 532 . 1 1 41 41 VAL HG23 H 1 0.97 0.02 . 1 . . . . 41 VAL HG2 . 15317 1 533 . 1 1 41 41 VAL C C 13 177.8 0.2 . 1 . . . . 41 VAL C . 15317 1 534 . 1 1 41 41 VAL CA C 13 67.0 0.2 . 1 . . . . 41 VAL CA . 15317 1 535 . 1 1 41 41 VAL CB C 13 30.9 0.2 . 1 . . . . 41 VAL CB . 15317 1 536 . 1 1 41 41 VAL CG1 C 13 22.3 0.02 . 1 . . . . 41 VAL CG1 . 15317 1 537 . 1 1 41 41 VAL CG2 C 13 24.6 0.02 . 1 . . . . 41 VAL CG2 . 15317 1 538 . 1 1 41 41 VAL N N 15 116.9 0.2 . 1 . . . . 41 VAL N . 15317 1 539 . 1 1 42 42 THR H H 1 8.21 0.02 . 1 . . . . 42 THR H . 15317 1 540 . 1 1 42 42 THR HA H 1 3.43 0.02 . 1 . . . . 42 THR HA . 15317 1 541 . 1 1 42 42 THR HB H 1 4.20 0.02 . 1 . . . . 42 THR HB . 15317 1 542 . 1 1 42 42 THR HG21 H 1 1.05 0.02 . 1 . . . . 42 THR HG2 . 15317 1 543 . 1 1 42 42 THR HG22 H 1 1.05 0.02 . 1 . . . . 42 THR HG2 . 15317 1 544 . 1 1 42 42 THR HG23 H 1 1.05 0.02 . 1 . . . . 42 THR HG2 . 15317 1 545 . 1 1 42 42 THR C C 13 175.9 0.2 . 1 . . . . 42 THR C . 15317 1 546 . 1 1 42 42 THR CA C 13 67.5 0.2 . 1 . . . . 42 THR CA . 15317 1 547 . 1 1 42 42 THR CB C 13 68.0 0.2 . 1 . . . . 42 THR CB . 15317 1 548 . 1 1 42 42 THR CG2 C 13 21.6 0.2 . 1 . . . . 42 THR CG2 . 15317 1 549 . 1 1 42 42 THR N N 15 114.8 0.2 . 1 . . . . 42 THR N . 15317 1 550 . 1 1 43 43 ASN H H 1 7.60 0.02 . 1 . . . . 43 ASN H . 15317 1 551 . 1 1 43 43 ASN HA H 1 4.17 0.02 . 1 . . . . 43 ASN HA . 15317 1 552 . 1 1 43 43 ASN HB2 H 1 2.76 0.02 . 2 . . . . 43 ASN HB2 . 15317 1 553 . 1 1 43 43 ASN HB3 H 1 2.81 0.02 . 2 . . . . 43 ASN HB3 . 15317 1 554 . 1 1 43 43 ASN HD21 H 1 7.04 0.02 . 1 . . . . 43 ASN HD21 . 15317 1 555 . 1 1 43 43 ASN HD22 H 1 6.95 0.02 . 1 . . . . 43 ASN HD22 . 15317 1 556 . 1 1 43 43 ASN C C 13 177.3 0.2 . 1 . . . . 43 ASN C . 15317 1 557 . 1 1 43 43 ASN CA C 13 57.0 0.2 . 1 . . . . 43 ASN CA . 15317 1 558 . 1 1 43 43 ASN CB C 13 39.4 0.2 . 1 . . . . 43 ASN CB . 15317 1 559 . 1 1 43 43 ASN CG C 13 175.5 0.2 . 1 . . . . 43 ASN CG . 15317 1 560 . 1 1 43 43 ASN N N 15 120.3 0.2 . 1 . . . . 43 ASN N . 15317 1 561 . 1 1 43 43 ASN ND2 N 15 112.1 0.2 . 1 . . . . 43 ASN ND2 . 15317 1 562 . 1 1 44 44 ILE H H 1 7.63 0.02 . 1 . . . . 44 ILE H . 15317 1 563 . 1 1 44 44 ILE HA H 1 3.77 0.02 . 1 . . . . 44 ILE HA . 15317 1 564 . 1 1 44 44 ILE HB H 1 2.03 0.02 . 1 . . . . 44 ILE HB . 15317 1 565 . 1 1 44 44 ILE HD11 H 1 0.57 0.02 . 1 . . . . 44 ILE HD1 . 15317 1 566 . 1 1 44 44 ILE HD12 H 1 0.57 0.02 . 1 . . . . 44 ILE HD1 . 15317 1 567 . 1 1 44 44 ILE HD13 H 1 0.57 0.02 . 1 . . . . 44 ILE HD1 . 15317 1 568 . 1 1 44 44 ILE HG12 H 1 1.01 0.02 . 2 . . . . 44 ILE HG12 . 15317 1 569 . 1 1 44 44 ILE HG13 H 1 1.66 0.02 . 2 . . . . 44 ILE HG13 . 15317 1 570 . 1 1 44 44 ILE HG21 H 1 0.77 0.02 . 1 . . . . 44 ILE HG2 . 15317 1 571 . 1 1 44 44 ILE HG22 H 1 0.77 0.02 . 1 . . . . 44 ILE HG2 . 15317 1 572 . 1 1 44 44 ILE HG23 H 1 0.77 0.02 . 1 . . . . 44 ILE HG2 . 15317 1 573 . 1 1 44 44 ILE C C 13 179.2 0.2 . 1 . . . . 44 ILE C . 15317 1 574 . 1 1 44 44 ILE CA C 13 62.1 0.2 . 1 . . . . 44 ILE CA . 15317 1 575 . 1 1 44 44 ILE CB C 13 35.7 0.2 . 1 . . . . 44 ILE CB . 15317 1 576 . 1 1 44 44 ILE CD1 C 13 9.1 0.2 . 1 . . . . 44 ILE CD1 . 15317 1 577 . 1 1 44 44 ILE CG1 C 13 27.0 0.2 . 1 . . . . 44 ILE CG1 . 15317 1 578 . 1 1 44 44 ILE CG2 C 13 18.2 0.2 . 1 . . . . 44 ILE CG2 . 15317 1 579 . 1 1 44 44 ILE N N 15 119.7 0.2 . 1 . . . . 44 ILE N . 15317 1 580 . 1 1 45 45 ILE H H 1 8.46 0.02 . 1 . . . . 45 ILE H . 15317 1 581 . 1 1 45 45 ILE HA H 1 3.55 0.02 . 1 . . . . 45 ILE HA . 15317 1 582 . 1 1 45 45 ILE HB H 1 1.72 0.02 . 1 . . . . 45 ILE HB . 15317 1 583 . 1 1 45 45 ILE HD11 H 1 0.48 0.02 . 1 . . . . 45 ILE HD1 . 15317 1 584 . 1 1 45 45 ILE HD12 H 1 0.48 0.02 . 1 . . . . 45 ILE HD1 . 15317 1 585 . 1 1 45 45 ILE HD13 H 1 0.48 0.02 . 1 . . . . 45 ILE HD1 . 15317 1 586 . 1 1 45 45 ILE HG12 H 1 0.85 0.02 . 2 . . . . 45 ILE HG12 . 15317 1 587 . 1 1 45 45 ILE HG13 H 1 1.70 0.02 . 2 . . . . 45 ILE HG13 . 15317 1 588 . 1 1 45 45 ILE HG21 H 1 0.79 0.02 . 1 . . . . 45 ILE HG2 . 15317 1 589 . 1 1 45 45 ILE HG22 H 1 0.79 0.02 . 1 . . . . 45 ILE HG2 . 15317 1 590 . 1 1 45 45 ILE HG23 H 1 0.79 0.02 . 1 . . . . 45 ILE HG2 . 15317 1 591 . 1 1 45 45 ILE C C 13 177.1 0.2 . 1 . . . . 45 ILE C . 15317 1 592 . 1 1 45 45 ILE CA C 13 65.1 0.2 . 1 . . . . 45 ILE CA . 15317 1 593 . 1 1 45 45 ILE CB C 13 36.6 0.2 . 1 . . . . 45 ILE CB . 15317 1 594 . 1 1 45 45 ILE CD1 C 13 13.4 0.2 . 1 . . . . 45 ILE CD1 . 15317 1 595 . 1 1 45 45 ILE CG1 C 13 29.9 0.2 . 1 . . . . 45 ILE CG1 . 15317 1 596 . 1 1 45 45 ILE CG2 C 13 18.0 0.2 . 1 . . . . 45 ILE CG2 . 15317 1 597 . 1 1 45 45 ILE N N 15 120.3 0.2 . 1 . . . . 45 ILE N . 15317 1 598 . 1 1 46 46 ALA H H 1 7.75 0.02 . 1 . . . . 46 ALA H . 15317 1 599 . 1 1 46 46 ALA HA H 1 3.95 0.02 . 1 . . . . 46 ALA HA . 15317 1 600 . 1 1 46 46 ALA HB1 H 1 1.34 0.02 . 1 . . . . 46 ALA HB . 15317 1 601 . 1 1 46 46 ALA HB2 H 1 1.34 0.02 . 1 . . . . 46 ALA HB . 15317 1 602 . 1 1 46 46 ALA HB3 H 1 1.34 0.02 . 1 . . . . 46 ALA HB . 15317 1 603 . 1 1 46 46 ALA C C 13 178.0 0.2 . 1 . . . . 46 ALA C . 15317 1 604 . 1 1 46 46 ALA CA C 13 54.0 0.2 . 1 . . . . 46 ALA CA . 15317 1 605 . 1 1 46 46 ALA CB C 13 17.9 0.2 . 1 . . . . 46 ALA CB . 15317 1 606 . 1 1 46 46 ALA N N 15 120.0 0.2 . 1 . . . . 46 ALA N . 15317 1 607 . 1 1 47 47 GLN H H 1 7.61 0.02 . 1 . . . . 47 GLN H . 15317 1 608 . 1 1 47 47 GLN HA H 1 4.19 0.02 . 1 . . . . 47 GLN HA . 15317 1 609 . 1 1 47 47 GLN HB2 H 1 2.16 0.02 . 2 . . . . 47 GLN HB2 . 15317 1 610 . 1 1 47 47 GLN HB3 H 1 2.30 0.02 . 2 . . . . 47 GLN HB3 . 15317 1 611 . 1 1 47 47 GLN HE21 H 1 7.15 0.02 . 1 . . . . 47 GLN HE21 . 15317 1 612 . 1 1 47 47 GLN HE22 H 1 6.82 0.02 . 1 . . . . 47 GLN HE22 . 15317 1 613 . 1 1 47 47 GLN HG2 H 1 2.35 0.02 . 2 . . . . 47 GLN HG2 . 15317 1 614 . 1 1 47 47 GLN HG3 H 1 2.60 0.02 . 2 . . . . 47 GLN HG3 . 15317 1 615 . 1 1 47 47 GLN C C 13 177.1 0.2 . 1 . . . . 47 GLN C . 15317 1 616 . 1 1 47 47 GLN CA C 13 56.0 0.2 . 1 . . . . 47 GLN CA . 15317 1 617 . 1 1 47 47 GLN CB C 13 29.0 0.2 . 1 . . . . 47 GLN CB . 15317 1 618 . 1 1 47 47 GLN CD C 13 180.3 0.2 . 1 . . . . 47 GLN CD . 15317 1 619 . 1 1 47 47 GLN CG C 13 33.9 0.2 . 1 . . . . 47 GLN CG . 15317 1 620 . 1 1 47 47 GLN N N 15 114.0 0.2 . 1 . . . . 47 GLN N . 15317 1 621 . 1 1 47 47 GLN NE2 N 15 111.6 0.2 . 1 . . . . 47 GLN NE2 . 15317 1 622 . 1 1 48 48 VAL H H 1 7.74 0.02 . 1 . . . . 48 VAL H . 15317 1 623 . 1 1 48 48 VAL HA H 1 4.39 0.02 . 1 . . . . 48 VAL HA . 15317 1 624 . 1 1 48 48 VAL HB H 1 2.52 0.02 . 1 . . . . 48 VAL HB . 15317 1 625 . 1 1 48 48 VAL HG11 H 1 1.05 0.02 . 1 . . . . 48 VAL HG1 . 15317 1 626 . 1 1 48 48 VAL HG12 H 1 1.05 0.02 . 1 . . . . 48 VAL HG1 . 15317 1 627 . 1 1 48 48 VAL HG13 H 1 1.05 0.02 . 1 . . . . 48 VAL HG1 . 15317 1 628 . 1 1 48 48 VAL HG21 H 1 1.07 0.02 . 1 . . . . 48 VAL HG2 . 15317 1 629 . 1 1 48 48 VAL HG22 H 1 1.07 0.02 . 1 . . . . 48 VAL HG2 . 15317 1 630 . 1 1 48 48 VAL HG23 H 1 1.07 0.02 . 1 . . . . 48 VAL HG2 . 15317 1 631 . 1 1 48 48 VAL CA C 13 59.9 0.2 . 1 . . . . 48 VAL CA . 15317 1 632 . 1 1 48 48 VAL CB C 13 31.9 0.2 . 1 . . . . 48 VAL CB . 15317 1 633 . 1 1 48 48 VAL CG1 C 13 20.4 0.02 . 1 . . . . 48 VAL CG1 . 15317 1 634 . 1 1 48 48 VAL CG2 C 13 21.0 0.02 . 1 . . . . 48 VAL CG2 . 15317 1 635 . 1 1 48 48 VAL N N 15 122.4 0.2 . 1 . . . . 48 VAL N . 15317 1 636 . 1 1 49 49 PRO HA H 1 4.34 0.02 . 1 . . . . 49 PRO HA . 15317 1 637 . 1 1 49 49 PRO HB2 H 1 1.72 0.02 . 2 . . . . 49 PRO HB2 . 15317 1 638 . 1 1 49 49 PRO HB3 H 1 2.44 0.02 . 2 . . . . 49 PRO HB3 . 15317 1 639 . 1 1 49 49 PRO HD2 H 1 3.56 0.02 . 2 . . . . 49 PRO HD2 . 15317 1 640 . 1 1 49 49 PRO HD3 H 1 3.94 0.02 . 2 . . . . 49 PRO HD3 . 15317 1 641 . 1 1 49 49 PRO HG2 H 1 2.07 0.02 . 2 . . . . 49 PRO HG2 . 15317 1 642 . 1 1 49 49 PRO HG3 H 1 2.07 0.02 . 2 . . . . 49 PRO HG3 . 15317 1 643 . 1 1 49 49 PRO C C 13 177.7 0.2 . 1 . . . . 49 PRO C . 15317 1 644 . 1 1 49 49 PRO CA C 13 63.7 0.2 . 1 . . . . 49 PRO CA . 15317 1 645 . 1 1 49 49 PRO CB C 13 32.3 0.2 . 1 . . . . 49 PRO CB . 15317 1 646 . 1 1 49 49 PRO CD C 13 50.9 0.2 . 1 . . . . 49 PRO CD . 15317 1 647 . 1 1 49 49 PRO CG C 13 27.9 0.2 . 1 . . . . 49 PRO CG . 15317 1 648 . 1 1 50 50 GLU H H 1 8.96 0.02 . 1 . . . . 50 GLU H . 15317 1 649 . 1 1 50 50 GLU HA H 1 3.58 0.02 . 1 . . . . 50 GLU HA . 15317 1 650 . 1 1 50 50 GLU HB2 H 1 2.06 0.02 . 2 . . . . 50 GLU HB2 . 15317 1 651 . 1 1 50 50 GLU HB3 H 1 2.06 0.02 . 2 . . . . 50 GLU HB3 . 15317 1 652 . 1 1 50 50 GLU HG2 H 1 2.32 0.02 . 2 . . . . 50 GLU HG2 . 15317 1 653 . 1 1 50 50 GLU HG3 H 1 2.32 0.02 . 2 . . . . 50 GLU HG3 . 15317 1 654 . 1 1 50 50 GLU C C 13 178.3 0.2 . 1 . . . . 50 GLU C . 15317 1 655 . 1 1 50 50 GLU CA C 13 60.8 0.2 . 1 . . . . 50 GLU CA . 15317 1 656 . 1 1 50 50 GLU CB C 13 29.9 0.2 . 1 . . . . 50 GLU CB . 15317 1 657 . 1 1 50 50 GLU CG C 13 36.1 0.2 . 1 . . . . 50 GLU CG . 15317 1 658 . 1 1 50 50 GLU N N 15 124.4 0.2 . 1 . . . . 50 GLU N . 15317 1 659 . 1 1 51 51 SER H H 1 8.64 0.02 . 1 . . . . 51 SER H . 15317 1 660 . 1 1 51 51 SER HA H 1 4.24 0.02 . 1 . . . . 51 SER HA . 15317 1 661 . 1 1 51 51 SER HB2 H 1 3.95 0.02 . 2 . . . . 51 SER HB2 . 15317 1 662 . 1 1 51 51 SER HB3 H 1 4.00 0.02 . 2 . . . . 51 SER HB3 . 15317 1 663 . 1 1 51 51 SER C C 13 175.2 0.2 . 1 . . . . 51 SER C . 15317 1 664 . 1 1 51 51 SER CA C 13 60.6 0.2 . 1 . . . . 51 SER CA . 15317 1 665 . 1 1 51 51 SER CB C 13 62.6 0.2 . 1 . . . . 51 SER CB . 15317 1 666 . 1 1 51 51 SER N N 15 112.0 0.2 . 1 . . . . 51 SER N . 15317 1 667 . 1 1 52 52 LYS H H 1 7.95 0.02 . 1 . . . . 52 LYS H . 15317 1 668 . 1 1 52 52 LYS HA H 1 4.65 0.02 . 1 . . . . 52 LYS HA . 15317 1 669 . 1 1 52 52 LYS HB2 H 1 1.64 0.02 . 2 . . . . 52 LYS HB2 . 15317 1 670 . 1 1 52 52 LYS HB3 H 1 1.98 0.02 . 2 . . . . 52 LYS HB3 . 15317 1 671 . 1 1 52 52 LYS HD2 H 1 1.57 0.02 . 2 . . . . 52 LYS HD2 . 15317 1 672 . 1 1 52 52 LYS HD3 H 1 1.64 0.02 . 2 . . . . 52 LYS HD3 . 15317 1 673 . 1 1 52 52 LYS HE2 H 1 2.92 0.02 . 2 . . . . 52 LYS HE2 . 15317 1 674 . 1 1 52 52 LYS HE3 H 1 2.92 0.02 . 2 . . . . 52 LYS HE3 . 15317 1 675 . 1 1 52 52 LYS HG2 H 1 1.42 0.02 . 2 . . . . 52 LYS HG2 . 15317 1 676 . 1 1 52 52 LYS HG3 H 1 1.42 0.02 . 2 . . . . 52 LYS HG3 . 15317 1 677 . 1 1 52 52 LYS C C 13 176.7 0.2 . 1 . . . . 52 LYS C . 15317 1 678 . 1 1 52 52 LYS CA C 13 55.5 0.2 . 1 . . . . 52 LYS CA . 15317 1 679 . 1 1 52 52 LYS CB C 13 34.0 0.2 . 1 . . . . 52 LYS CB . 15317 1 680 . 1 1 52 52 LYS CD C 13 28.8 0.2 . 1 . . . . 52 LYS CD . 15317 1 681 . 1 1 52 52 LYS CE C 13 42.0 0.2 . 1 . . . . 52 LYS CE . 15317 1 682 . 1 1 52 52 LYS CG C 13 25.1 0.2 . 1 . . . . 52 LYS CG . 15317 1 683 . 1 1 52 52 LYS N N 15 119.6 0.2 . 1 . . . . 52 LYS N . 15317 1 684 . 1 1 53 53 ARG H H 1 7.29 0.02 . 1 . . . . 53 ARG H . 15317 1 685 . 1 1 53 53 ARG HA H 1 3.53 0.02 . 1 . . . . 53 ARG HA . 15317 1 686 . 1 1 53 53 ARG HB2 H 1 1.54 0.02 . 2 . . . . 53 ARG HB2 . 15317 1 687 . 1 1 53 53 ARG HB3 H 1 1.80 0.02 . 2 . . . . 53 ARG HB3 . 15317 1 688 . 1 1 53 53 ARG HD2 H 1 3.05 0.02 . 2 . . . . 53 ARG HD2 . 15317 1 689 . 1 1 53 53 ARG HD3 H 1 3.14 0.02 . 2 . . . . 53 ARG HD3 . 15317 1 690 . 1 1 53 53 ARG HE H 1 6.84 0.02 . 1 . . . . 53 ARG HE . 15317 1 691 . 1 1 53 53 ARG HG2 H 1 1.53 0.02 . 2 . . . . 53 ARG HG2 . 15317 1 692 . 1 1 53 53 ARG HG3 H 1 1.87 0.02 . 2 . . . . 53 ARG HG3 . 15317 1 693 . 1 1 53 53 ARG HH21 H 1 6.50 0.02 . 2 . . . . 53 ARG HH21 . 15317 1 694 . 1 1 53 53 ARG HH22 H 1 7.22 0.02 . 2 . . . . 53 ARG HH22 . 15317 1 695 . 1 1 53 53 ARG C C 13 177.3 0.2 . 1 . . . . 53 ARG C . 15317 1 696 . 1 1 53 53 ARG CA C 13 61.7 0.2 . 1 . . . . 53 ARG CA . 15317 1 697 . 1 1 53 53 ARG CB C 13 30.8 0.2 . 1 . . . . 53 ARG CB . 15317 1 698 . 1 1 53 53 ARG CD C 13 44.2 0.2 . 1 . . . . 53 ARG CD . 15317 1 699 . 1 1 53 53 ARG CG C 13 28.5 0.2 . 1 . . . . 53 ARG CG . 15317 1 700 . 1 1 53 53 ARG N N 15 119.0 0.2 . 1 . . . . 53 ARG N . 15317 1 701 . 1 1 53 53 ARG NE N 15 84.9 0.2 . 1 . . . . 53 ARG NE . 15317 1 702 . 1 1 54 54 VAL H H 1 8.44 0.02 . 1 . . . . 54 VAL H . 15317 1 703 . 1 1 54 54 VAL HA H 1 3.46 0.02 . 1 . . . . 54 VAL HA . 15317 1 704 . 1 1 54 54 VAL HB H 1 1.95 0.02 . 1 . . . . 54 VAL HB . 15317 1 705 . 1 1 54 54 VAL HG11 H 1 0.86 0.02 . 1 . . . . 54 VAL HG1 . 15317 1 706 . 1 1 54 54 VAL HG12 H 1 0.86 0.02 . 1 . . . . 54 VAL HG1 . 15317 1 707 . 1 1 54 54 VAL HG13 H 1 0.86 0.02 . 1 . . . . 54 VAL HG1 . 15317 1 708 . 1 1 54 54 VAL HG21 H 1 0.96 0.02 . 1 . . . . 54 VAL HG2 . 15317 1 709 . 1 1 54 54 VAL HG22 H 1 0.96 0.02 . 1 . . . . 54 VAL HG2 . 15317 1 710 . 1 1 54 54 VAL HG23 H 1 0.96 0.02 . 1 . . . . 54 VAL HG2 . 15317 1 711 . 1 1 54 54 VAL C C 13 177.4 0.2 . 1 . . . . 54 VAL C . 15317 1 712 . 1 1 54 54 VAL CA C 13 67.2 0.2 . 1 . . . . 54 VAL CA . 15317 1 713 . 1 1 54 54 VAL CB C 13 31.0 0.2 . 1 . . . . 54 VAL CB . 15317 1 714 . 1 1 54 54 VAL CG1 C 13 21.2 0.02 . 1 . . . . 54 VAL CG1 . 15317 1 715 . 1 1 54 54 VAL CG2 C 13 23.5 0.02 . 1 . . . . 54 VAL CG2 . 15317 1 716 . 1 1 54 54 VAL N N 15 118.4 0.2 . 1 . . . . 54 VAL N . 15317 1 717 . 1 1 55 55 ALA H H 1 8.12 0.02 . 1 . . . . 55 ALA H . 15317 1 718 . 1 1 55 55 ALA HA H 1 4.18 0.02 . 1 . . . . 55 ALA HA . 15317 1 719 . 1 1 55 55 ALA HB1 H 1 1.44 0.02 . 1 . . . . 55 ALA HB . 15317 1 720 . 1 1 55 55 ALA HB2 H 1 1.44 0.02 . 1 . . . . 55 ALA HB . 15317 1 721 . 1 1 55 55 ALA HB3 H 1 1.44 0.02 . 1 . . . . 55 ALA HB . 15317 1 722 . 1 1 55 55 ALA C C 13 180.7 0.2 . 1 . . . . 55 ALA C . 15317 1 723 . 1 1 55 55 ALA CA C 13 55.0 0.2 . 1 . . . . 55 ALA CA . 15317 1 724 . 1 1 55 55 ALA CB C 13 17.9 0.2 . 1 . . . . 55 ALA CB . 15317 1 725 . 1 1 55 55 ALA N N 15 122.3 0.2 . 1 . . . . 55 ALA N . 15317 1 726 . 1 1 56 56 VAL H H 1 8.04 0.02 . 1 . . . . 56 VAL H . 15317 1 727 . 1 1 56 56 VAL HA H 1 3.78 0.02 . 1 . . . . 56 VAL HA . 15317 1 728 . 1 1 56 56 VAL HB H 1 2.12 0.02 . 1 . . . . 56 VAL HB . 15317 1 729 . 1 1 56 56 VAL HG11 H 1 0.89 0.02 . 1 . . . . 56 VAL HG1 . 15317 1 730 . 1 1 56 56 VAL HG12 H 1 0.89 0.02 . 1 . . . . 56 VAL HG1 . 15317 1 731 . 1 1 56 56 VAL HG13 H 1 0.89 0.02 . 1 . . . . 56 VAL HG1 . 15317 1 732 . 1 1 56 56 VAL HG21 H 1 1.12 0.02 . 1 . . . . 56 VAL HG2 . 15317 1 733 . 1 1 56 56 VAL HG22 H 1 1.12 0.02 . 1 . . . . 56 VAL HG2 . 15317 1 734 . 1 1 56 56 VAL HG23 H 1 1.12 0.02 . 1 . . . . 56 VAL HG2 . 15317 1 735 . 1 1 56 56 VAL C C 13 179.4 0.2 . 1 . . . . 56 VAL C . 15317 1 736 . 1 1 56 56 VAL CA C 13 66.7 0.2 . 1 . . . . 56 VAL CA . 15317 1 737 . 1 1 56 56 VAL CB C 13 31.4 0.2 . 1 . . . . 56 VAL CB . 15317 1 738 . 1 1 56 56 VAL CG1 C 13 21.9 0.02 . 1 . . . . 56 VAL CG1 . 15317 1 739 . 1 1 56 56 VAL CG2 C 13 23.6 0.02 . 1 . . . . 56 VAL CG2 . 15317 1 740 . 1 1 56 56 VAL N N 15 117.9 0.2 . 1 . . . . 56 VAL N . 15317 1 741 . 1 1 57 57 VAL H H 1 8.51 0.02 . 1 . . . . 57 VAL H . 15317 1 742 . 1 1 57 57 VAL HA H 1 3.76 0.02 . 1 . . . . 57 VAL HA . 15317 1 743 . 1 1 57 57 VAL HB H 1 2.21 0.02 . 1 . . . . 57 VAL HB . 15317 1 744 . 1 1 57 57 VAL HG11 H 1 1.05 0.02 . 1 . . . . 57 VAL HG1 . 15317 1 745 . 1 1 57 57 VAL HG12 H 1 1.05 0.02 . 1 . . . . 57 VAL HG1 . 15317 1 746 . 1 1 57 57 VAL HG13 H 1 1.05 0.02 . 1 . . . . 57 VAL HG1 . 15317 1 747 . 1 1 57 57 VAL HG21 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 15317 1 748 . 1 1 57 57 VAL HG22 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 15317 1 749 . 1 1 57 57 VAL HG23 H 1 0.98 0.02 . 1 . . . . 57 VAL HG2 . 15317 1 750 . 1 1 57 57 VAL C C 13 177.9 0.2 . 1 . . . . 57 VAL C . 15317 1 751 . 1 1 57 57 VAL CA C 13 66.7 0.2 . 1 . . . . 57 VAL CA . 15317 1 752 . 1 1 57 57 VAL CB C 13 31.4 0.2 . 1 . . . . 57 VAL CB . 15317 1 753 . 1 1 57 57 VAL CG1 C 13 21.5 0.02 . 1 . . . . 57 VAL CG1 . 15317 1 754 . 1 1 57 57 VAL CG2 C 13 24.7 0.02 . 1 . . . . 57 VAL CG2 . 15317 1 755 . 1 1 57 57 VAL N N 15 121.6 0.2 . 1 . . . . 57 VAL N . 15317 1 756 . 1 1 58 58 ASP H H 1 8.80 0.02 . 1 . . . . 58 ASP H . 15317 1 757 . 1 1 58 58 ASP HA H 1 4.42 0.02 . 1 . . . . 58 ASP HA . 15317 1 758 . 1 1 58 58 ASP HB2 H 1 2.83 0.02 . 2 . . . . 58 ASP HB2 . 15317 1 759 . 1 1 58 58 ASP HB3 H 1 2.64 0.02 . 2 . . . . 58 ASP HB3 . 15317 1 760 . 1 1 58 58 ASP C C 13 178.5 0.2 . 1 . . . . 58 ASP C . 15317 1 761 . 1 1 58 58 ASP CA C 13 57.8 0.2 . 1 . . . . 58 ASP CA . 15317 1 762 . 1 1 58 58 ASP CB C 13 40.0 0.2 . 1 . . . . 58 ASP CB . 15317 1 763 . 1 1 58 58 ASP N N 15 124.8 0.2 . 1 . . . . 58 ASP N . 15317 1 764 . 1 1 59 59 ASN H H 1 8.50 0.02 . 1 . . . . 59 ASN H . 15317 1 765 . 1 1 59 59 ASN HA H 1 4.46 0.02 . 1 . . . . 59 ASN HA . 15317 1 766 . 1 1 59 59 ASN HB2 H 1 2.86 0.02 . 2 . . . . 59 ASN HB2 . 15317 1 767 . 1 1 59 59 ASN HB3 H 1 2.96 0.02 . 2 . . . . 59 ASN HB3 . 15317 1 768 . 1 1 59 59 ASN HD21 H 1 7.73 0.02 . 1 . . . . 59 ASN HD21 . 15317 1 769 . 1 1 59 59 ASN HD22 H 1 7.02 0.02 . 1 . . . . 59 ASN HD22 . 15317 1 770 . 1 1 59 59 ASN C C 13 177.7 0.2 . 1 . . . . 59 ASN C . 15317 1 771 . 1 1 59 59 ASN CA C 13 56.5 0.2 . 1 . . . . 59 ASN CA . 15317 1 772 . 1 1 59 59 ASN CB C 13 38.3 0.2 . 1 . . . . 59 ASN CB . 15317 1 773 . 1 1 59 59 ASN CG C 13 176.0 0.2 . 1 . . . . 59 ASN CG . 15317 1 774 . 1 1 59 59 ASN N N 15 118.8 0.2 . 1 . . . . 59 ASN N . 15317 1 775 . 1 1 59 59 ASN ND2 N 15 113.0 0.2 . 1 . . . . 59 ASN ND2 . 15317 1 776 . 1 1 60 60 PHE H H 1 8.54 0.02 . 1 . . . . 60 PHE H . 15317 1 777 . 1 1 60 60 PHE HA H 1 4.21 0.02 . 1 . . . . 60 PHE HA . 15317 1 778 . 1 1 60 60 PHE HB2 H 1 3.28 0.02 . 2 . . . . 60 PHE HB2 . 15317 1 779 . 1 1 60 60 PHE HB3 H 1 3.29 0.02 . 2 . . . . 60 PHE HB3 . 15317 1 780 . 1 1 60 60 PHE HD1 H 1 7.16 0.02 . 3 . . . . 60 PHE HD1 . 15317 1 781 . 1 1 60 60 PHE HD2 H 1 7.16 0.02 . 3 . . . . 60 PHE HD2 . 15317 1 782 . 1 1 60 60 PHE HE1 H 1 7.38 0.02 . 3 . . . . 60 PHE HE1 . 15317 1 783 . 1 1 60 60 PHE HE2 H 1 7.38 0.02 . 3 . . . . 60 PHE HE2 . 15317 1 784 . 1 1 60 60 PHE HZ H 1 6.90 0.02 . 1 . . . . 60 PHE HZ . 15317 1 785 . 1 1 60 60 PHE C C 13 177.7 0.2 . 1 . . . . 60 PHE C . 15317 1 786 . 1 1 60 60 PHE CA C 13 61.6 0.2 . 1 . . . . 60 PHE CA . 15317 1 787 . 1 1 60 60 PHE CB C 13 39.8 0.2 . 1 . . . . 60 PHE CB . 15317 1 788 . 1 1 60 60 PHE CD1 C 13 132.1 0.02 . 3 . . . . 60 PHE CD1 . 15317 1 789 . 1 1 60 60 PHE CD2 C 13 132.1 0.02 . 3 . . . . 60 PHE CD2 . 15317 1 790 . 1 1 60 60 PHE CE1 C 13 131.0 0.02 . 3 . . . . 60 PHE CE1 . 15317 1 791 . 1 1 60 60 PHE CE2 C 13 131.0 0.02 . 3 . . . . 60 PHE CE2 . 15317 1 792 . 1 1 60 60 PHE CZ C 13 128.6 0.2 . 1 . . . . 60 PHE CZ . 15317 1 793 . 1 1 60 60 PHE N N 15 121.8 0.2 . 1 . . . . 60 PHE N . 15317 1 794 . 1 1 61 61 THR H H 1 8.82 0.02 . 1 . . . . 61 THR H . 15317 1 795 . 1 1 61 61 THR HA H 1 3.82 0.02 . 1 . . . . 61 THR HA . 15317 1 796 . 1 1 61 61 THR HB H 1 4.45 0.02 . 1 . . . . 61 THR HB . 15317 1 797 . 1 1 61 61 THR HG1 H 1 5.11 0.02 . 1 . . . . 61 THR HG1 . 15317 1 798 . 1 1 61 61 THR HG21 H 1 1.51 0.02 . 1 . . . . 61 THR HG2 . 15317 1 799 . 1 1 61 61 THR HG22 H 1 1.51 0.02 . 1 . . . . 61 THR HG2 . 15317 1 800 . 1 1 61 61 THR HG23 H 1 1.51 0.02 . 1 . . . . 61 THR HG2 . 15317 1 801 . 1 1 61 61 THR C C 13 176.7 0.2 . 1 . . . . 61 THR C . 15317 1 802 . 1 1 61 61 THR CA C 13 66.2 0.2 . 1 . . . . 61 THR CA . 15317 1 803 . 1 1 61 61 THR CB C 13 68.4 0.2 . 1 . . . . 61 THR CB . 15317 1 804 . 1 1 61 61 THR CG2 C 13 23.0 0.2 . 1 . . . . 61 THR CG2 . 15317 1 805 . 1 1 61 61 THR N N 15 112.2 0.2 . 1 . . . . 61 THR N . 15317 1 806 . 1 1 62 62 LYS H H 1 8.19 0.02 . 1 . . . . 62 LYS H . 15317 1 807 . 1 1 62 62 LYS HA H 1 4.01 0.02 . 1 . . . . 62 LYS HA . 15317 1 808 . 1 1 62 62 LYS HB2 H 1 1.88 0.02 . 2 . . . . 62 LYS HB2 . 15317 1 809 . 1 1 62 62 LYS HB3 H 1 1.95 0.02 . 2 . . . . 62 LYS HB3 . 15317 1 810 . 1 1 62 62 LYS HD2 H 1 1.65 0.02 . 2 . . . . 62 LYS HD2 . 15317 1 811 . 1 1 62 62 LYS HD3 H 1 1.65 0.02 . 2 . . . . 62 LYS HD3 . 15317 1 812 . 1 1 62 62 LYS HE2 H 1 2.93 0.02 . 2 . . . . 62 LYS HE2 . 15317 1 813 . 1 1 62 62 LYS HE3 H 1 2.93 0.02 . 2 . . . . 62 LYS HE3 . 15317 1 814 . 1 1 62 62 LYS HG2 H 1 1.37 0.02 . 2 . . . . 62 LYS HG2 . 15317 1 815 . 1 1 62 62 LYS HG3 H 1 1.59 0.02 . 2 . . . . 62 LYS HG3 . 15317 1 816 . 1 1 62 62 LYS C C 13 179.1 0.2 . 1 . . . . 62 LYS C . 15317 1 817 . 1 1 62 62 LYS CA C 13 60.1 0.2 . 1 . . . . 62 LYS CA . 15317 1 818 . 1 1 62 62 LYS CB C 13 32.5 0.2 . 1 . . . . 62 LYS CB . 15317 1 819 . 1 1 62 62 LYS CD C 13 29.5 0.2 . 1 . . . . 62 LYS CD . 15317 1 820 . 1 1 62 62 LYS CE C 13 42.0 0.2 . 1 . . . . 62 LYS CE . 15317 1 821 . 1 1 62 62 LYS CG C 13 25.3 0.2 . 1 . . . . 62 LYS CG . 15317 1 822 . 1 1 62 62 LYS N N 15 124.0 0.2 . 1 . . . . 62 LYS N . 15317 1 823 . 1 1 63 63 ALA H H 1 7.80 0.02 . 1 . . . . 63 ALA H . 15317 1 824 . 1 1 63 63 ALA HA H 1 4.07 0.02 . 1 . . . . 63 ALA HA . 15317 1 825 . 1 1 63 63 ALA HB1 H 1 1.37 0.02 . 1 . . . . 63 ALA HB . 15317 1 826 . 1 1 63 63 ALA HB2 H 1 1.37 0.02 . 1 . . . . 63 ALA HB . 15317 1 827 . 1 1 63 63 ALA HB3 H 1 1.37 0.02 . 1 . . . . 63 ALA HB . 15317 1 828 . 1 1 63 63 ALA C C 13 180.4 0.2 . 1 . . . . 63 ALA C . 15317 1 829 . 1 1 63 63 ALA CA C 13 54.7 0.2 . 1 . . . . 63 ALA CA . 15317 1 830 . 1 1 63 63 ALA CB C 13 17.8 0.2 . 1 . . . . 63 ALA CB . 15317 1 831 . 1 1 63 63 ALA N N 15 121.5 0.2 . 1 . . . . 63 ALA N . 15317 1 832 . 1 1 64 64 LEU H H 1 7.85 0.02 . 1 . . . . 64 LEU H . 15317 1 833 . 1 1 64 64 LEU HA H 1 3.90 0.02 . 1 . . . . 64 LEU HA . 15317 1 834 . 1 1 64 64 LEU HB2 H 1 1.23 0.02 . 2 . . . . 64 LEU HB2 . 15317 1 835 . 1 1 64 64 LEU HB3 H 1 1.46 0.02 . 2 . . . . 64 LEU HB3 . 15317 1 836 . 1 1 64 64 LEU HD11 H 1 0.63 0.02 . 1 . . . . 64 LEU HD1 . 15317 1 837 . 1 1 64 64 LEU HD12 H 1 0.63 0.02 . 1 . . . . 64 LEU HD1 . 15317 1 838 . 1 1 64 64 LEU HD13 H 1 0.63 0.02 . 1 . . . . 64 LEU HD1 . 15317 1 839 . 1 1 64 64 LEU HD21 H 1 0.67 0.02 . 1 . . . . 64 LEU HD2 . 15317 1 840 . 1 1 64 64 LEU HD22 H 1 0.67 0.02 . 1 . . . . 64 LEU HD2 . 15317 1 841 . 1 1 64 64 LEU HD23 H 1 0.67 0.02 . 1 . . . . 64 LEU HD2 . 15317 1 842 . 1 1 64 64 LEU HG H 1 1.30 0.02 . 1 . . . . 64 LEU HG . 15317 1 843 . 1 1 64 64 LEU C C 13 178.6 0.2 . 1 . . . . 64 LEU C . 15317 1 844 . 1 1 64 64 LEU CA C 13 57.3 0.2 . 1 . . . . 64 LEU CA . 15317 1 845 . 1 1 64 64 LEU CB C 13 41.9 0.2 . 1 . . . . 64 LEU CB . 15317 1 846 . 1 1 64 64 LEU CD1 C 13 24.8 0.02 . 1 . . . . 64 LEU CD1 . 15317 1 847 . 1 1 64 64 LEU CD2 C 13 26.3 0.02 . 1 . . . . 64 LEU CD2 . 15317 1 848 . 1 1 64 64 LEU CG C 13 26.4 0.2 . 1 . . . . 64 LEU CG . 15317 1 849 . 1 1 64 64 LEU N N 15 120.1 0.2 . 1 . . . . 64 LEU N . 15317 1 850 . 1 1 65 65 LYS H H 1 7.97 0.02 . 1 . . . . 65 LYS H . 15317 1 851 . 1 1 65 65 LYS HA H 1 3.73 0.02 . 1 . . . . 65 LYS HA . 15317 1 852 . 1 1 65 65 LYS HB2 H 1 1.90 0.02 . 2 . . . . 65 LYS HB2 . 15317 1 853 . 1 1 65 65 LYS HB3 H 1 1.90 0.02 . 2 . . . . 65 LYS HB3 . 15317 1 854 . 1 1 65 65 LYS HD2 H 1 1.70 0.02 . 2 . . . . 65 LYS HD2 . 15317 1 855 . 1 1 65 65 LYS HD3 H 1 1.70 0.02 . 2 . . . . 65 LYS HD3 . 15317 1 856 . 1 1 65 65 LYS HE2 H 1 2.89 0.02 . 2 . . . . 65 LYS HE2 . 15317 1 857 . 1 1 65 65 LYS HE3 H 1 2.89 0.02 . 2 . . . . 65 LYS HE3 . 15317 1 858 . 1 1 65 65 LYS HG2 H 1 1.43 0.02 . 2 . . . . 65 LYS HG2 . 15317 1 859 . 1 1 65 65 LYS HG3 H 1 1.43 0.02 . 2 . . . . 65 LYS HG3 . 15317 1 860 . 1 1 65 65 LYS C C 13 178.3 0.2 . 1 . . . . 65 LYS C . 15317 1 861 . 1 1 65 65 LYS CA C 13 60.4 0.2 . 1 . . . . 65 LYS CA . 15317 1 862 . 1 1 65 65 LYS CB C 13 31.9 0.2 . 1 . . . . 65 LYS CB . 15317 1 863 . 1 1 65 65 LYS CD C 13 29.3 0.2 . 1 . . . . 65 LYS CD . 15317 1 864 . 1 1 65 65 LYS CE C 13 41.9 0.2 . 1 . . . . 65 LYS CE . 15317 1 865 . 1 1 65 65 LYS CG C 13 26.4 0.2 . 1 . . . . 65 LYS CG . 15317 1 866 . 1 1 65 65 LYS N N 15 118.1 0.2 . 1 . . . . 65 LYS N . 15317 1 867 . 1 1 66 66 GLN H H 1 7.82 0.02 . 1 . . . . 66 GLN H . 15317 1 868 . 1 1 66 66 GLN HA H 1 3.95 0.02 . 1 . . . . 66 GLN HA . 15317 1 869 . 1 1 66 66 GLN HB2 H 1 2.04 0.02 . 2 . . . . 66 GLN HB2 . 15317 1 870 . 1 1 66 66 GLN HB3 H 1 2.10 0.02 . 2 . . . . 66 GLN HB3 . 15317 1 871 . 1 1 66 66 GLN HE21 H 1 7.63 0.02 . 1 . . . . 66 GLN HE21 . 15317 1 872 . 1 1 66 66 GLN HE22 H 1 6.80 0.02 . 1 . . . . 66 GLN HE22 . 15317 1 873 . 1 1 66 66 GLN HG2 H 1 2.33 0.02 . 2 . . . . 66 GLN HG2 . 15317 1 874 . 1 1 66 66 GLN HG3 H 1 2.40 0.02 . 2 . . . . 66 GLN HG3 . 15317 1 875 . 1 1 66 66 GLN C C 13 178.0 0.2 . 1 . . . . 66 GLN C . 15317 1 876 . 1 1 66 66 GLN CA C 13 58.7 0.2 . 1 . . . . 66 GLN CA . 15317 1 877 . 1 1 66 66 GLN CB C 13 28.2 0.2 . 1 . . . . 66 GLN CB . 15317 1 878 . 1 1 66 66 GLN CD C 13 180.0 0.2 . 1 . . . . 66 GLN CD . 15317 1 879 . 1 1 66 66 GLN CG C 13 33.6 0.2 . 1 . . . . 66 GLN CG . 15317 1 880 . 1 1 66 66 GLN N N 15 116.8 0.2 . 1 . . . . 66 GLN N . 15317 1 881 . 1 1 66 66 GLN NE2 N 15 112.0 0.2 . 1 . . . . 66 GLN NE2 . 15317 1 882 . 1 1 67 67 SER H H 1 8.06 0.02 . 1 . . . . 67 SER H . 15317 1 883 . 1 1 67 67 SER HA H 1 4.15 0.02 . 1 . . . . 67 SER HA . 15317 1 884 . 1 1 67 67 SER HB2 H 1 3.94 0.02 . 2 . . . . 67 SER HB2 . 15317 1 885 . 1 1 67 67 SER HB3 H 1 3.94 0.02 . 2 . . . . 67 SER HB3 . 15317 1 886 . 1 1 67 67 SER C C 13 176.9 0.2 . 1 . . . . 67 SER C . 15317 1 887 . 1 1 67 67 SER CA C 13 61.5 0.2 . 1 . . . . 67 SER CA . 15317 1 888 . 1 1 67 67 SER CB C 13 63.0 0.2 . 1 . . . . 67 SER CB . 15317 1 889 . 1 1 67 67 SER N N 15 114.2 0.2 . 1 . . . . 67 SER N . 15317 1 890 . 1 1 68 68 VAL H H 1 7.86 0.02 . 1 . . . . 68 VAL H . 15317 1 891 . 1 1 68 68 VAL HA H 1 3.85 0.02 . 1 . . . . 68 VAL HA . 15317 1 892 . 1 1 68 68 VAL HB H 1 2.09 0.02 . 1 . . . . 68 VAL HB . 15317 1 893 . 1 1 68 68 VAL HG11 H 1 0.81 0.02 . 1 . . . . 68 VAL HG1 . 15317 1 894 . 1 1 68 68 VAL HG12 H 1 0.81 0.02 . 1 . . . . 68 VAL HG1 . 15317 1 895 . 1 1 68 68 VAL HG13 H 1 0.81 0.02 . 1 . . . . 68 VAL HG1 . 15317 1 896 . 1 1 68 68 VAL HG21 H 1 0.96 0.02 . 1 . . . . 68 VAL HG2 . 15317 1 897 . 1 1 68 68 VAL HG22 H 1 0.96 0.02 . 1 . . . . 68 VAL HG2 . 15317 1 898 . 1 1 68 68 VAL HG23 H 1 0.96 0.02 . 1 . . . . 68 VAL HG2 . 15317 1 899 . 1 1 68 68 VAL C C 13 177.6 0.2 . 1 . . . . 68 VAL C . 15317 1 900 . 1 1 68 68 VAL CA C 13 64.9 0.2 . 1 . . . . 68 VAL CA . 15317 1 901 . 1 1 68 68 VAL CB C 13 32.0 0.2 . 1 . . . . 68 VAL CB . 15317 1 902 . 1 1 68 68 VAL CG1 C 13 21.6 0.02 . 1 . . . . 68 VAL CG1 . 15317 1 903 . 1 1 68 68 VAL CG2 C 13 22.9 0.02 . 1 . . . . 68 VAL CG2 . 15317 1 904 . 1 1 68 68 VAL N N 15 119.3 0.2 . 1 . . . . 68 VAL N . 15317 1 905 . 1 1 69 69 LEU H H 1 7.88 0.02 . 1 . . . . 69 LEU H . 15317 1 906 . 1 1 69 69 LEU HA H 1 4.15 0.02 . 1 . . . . 69 LEU HA . 15317 1 907 . 1 1 69 69 LEU HB2 H 1 1.52 0.02 . 2 . . . . 69 LEU HB2 . 15317 1 908 . 1 1 69 69 LEU HB3 H 1 1.81 0.02 . 2 . . . . 69 LEU HB3 . 15317 1 909 . 1 1 69 69 LEU HD11 H 1 0.86 0.02 . 1 . . . . 69 LEU HD1 . 15317 1 910 . 1 1 69 69 LEU HD12 H 1 0.86 0.02 . 1 . . . . 69 LEU HD1 . 15317 1 911 . 1 1 69 69 LEU HD13 H 1 0.86 0.02 . 1 . . . . 69 LEU HD1 . 15317 1 912 . 1 1 69 69 LEU HD21 H 1 0.79 0.02 . 1 . . . . 69 LEU HD2 . 15317 1 913 . 1 1 69 69 LEU HD22 H 1 0.79 0.02 . 1 . . . . 69 LEU HD2 . 15317 1 914 . 1 1 69 69 LEU HD23 H 1 0.79 0.02 . 1 . . . . 69 LEU HD2 . 15317 1 915 . 1 1 69 69 LEU HG H 1 1.70 0.02 . 1 . . . . 69 LEU HG . 15317 1 916 . 1 1 69 69 LEU C C 13 178.4 0.2 . 1 . . . . 69 LEU C . 15317 1 917 . 1 1 69 69 LEU CA C 13 56.5 0.2 . 1 . . . . 69 LEU CA . 15317 1 918 . 1 1 69 69 LEU CB C 13 41.8 0.2 . 1 . . . . 69 LEU CB . 15317 1 919 . 1 1 69 69 LEU CD1 C 13 25.2 0.02 . 1 . . . . 69 LEU CD1 . 15317 1 920 . 1 1 69 69 LEU CD2 C 13 23.0 0.02 . 1 . . . . 69 LEU CD2 . 15317 1 921 . 1 1 69 69 LEU CG C 13 27.0 0.2 . 1 . . . . 69 LEU CG . 15317 1 922 . 1 1 69 69 LEU N N 15 119.8 0.2 . 1 . . . . 69 LEU N . 15317 1 923 . 1 1 70 70 GLU H H 1 7.82 0.02 . 1 . . . . 70 GLU H . 15317 1 924 . 1 1 70 70 GLU HA H 1 4.13 0.02 . 1 . . . . 70 GLU HA . 15317 1 925 . 1 1 70 70 GLU HB2 H 1 1.94 0.02 . 2 . . . . 70 GLU HB2 . 15317 1 926 . 1 1 70 70 GLU HB3 H 1 1.94 0.02 . 2 . . . . 70 GLU HB3 . 15317 1 927 . 1 1 70 70 GLU HG2 H 1 2.16 0.02 . 2 . . . . 70 GLU HG2 . 15317 1 928 . 1 1 70 70 GLU HG3 H 1 2.30 0.02 . 2 . . . . 70 GLU HG3 . 15317 1 929 . 1 1 70 70 GLU C C 13 176.7 0.2 . 1 . . . . 70 GLU C . 15317 1 930 . 1 1 70 70 GLU CA C 13 56.9 0.2 . 1 . . . . 70 GLU CA . 15317 1 931 . 1 1 70 70 GLU CB C 13 29.8 0.2 . 1 . . . . 70 GLU CB . 15317 1 932 . 1 1 70 70 GLU CG C 13 36.1 0.2 . 1 . . . . 70 GLU CG . 15317 1 933 . 1 1 70 70 GLU N N 15 118.0 0.2 . 1 . . . . 70 GLU N . 15317 1 934 . 1 1 71 71 HIS H H 1 7.95 0.02 . 1 . . . . 71 HIS H . 15317 1 935 . 1 1 71 71 HIS HA H 1 4.46 0.02 . 1 . . . . 71 HIS HA . 15317 1 936 . 1 1 71 71 HIS HB2 H 1 3.14 0.02 . 2 . . . . 71 HIS HB2 . 15317 1 937 . 1 1 71 71 HIS HB3 H 1 3.14 0.02 . 2 . . . . 71 HIS HB3 . 15317 1 938 . 1 1 71 71 HIS C C 13 174.7 0.2 . 1 . . . . 71 HIS C . 15317 1 939 . 1 1 71 71 HIS CA C 13 56.3 0.2 . 1 . . . . 71 HIS CA . 15317 1 940 . 1 1 71 71 HIS CB C 13 28.8 0.2 . 1 . . . . 71 HIS CB . 15317 1 941 . 1 1 71 71 HIS N N 15 117.8 0.2 . 1 . . . . 71 HIS N . 15317 1 942 . 1 1 72 72 HIS H H 1 8.26 0.02 . 1 . . . . 72 HIS H . 15317 1 943 . 1 1 72 72 HIS HA H 1 4.59 0.02 . 1 . . . . 72 HIS HA . 15317 1 944 . 1 1 72 72 HIS HB2 H 1 3.04 0.02 . 2 . . . . 72 HIS HB2 . 15317 1 945 . 1 1 72 72 HIS HB3 H 1 3.12 0.02 . 2 . . . . 72 HIS HB3 . 15317 1 946 . 1 1 72 72 HIS C C 13 174.5 0.2 . 1 . . . . 72 HIS C . 15317 1 947 . 1 1 72 72 HIS CA C 13 55.7 0.2 . 1 . . . . 72 HIS CA . 15317 1 948 . 1 1 72 72 HIS CB C 13 29.6 0.2 . 1 . . . . 72 HIS CB . 15317 1 949 . 1 1 72 72 HIS N N 15 119.1 0.2 . 1 . . . . 72 HIS N . 15317 1 950 . 1 1 73 73 HIS H H 1 8.42 0.02 . 1 . . . . 73 HIS H . 15317 1 951 . 1 1 73 73 HIS HA H 1 4.58 0.02 . 1 . . . . 73 HIS HA . 15317 1 952 . 1 1 73 73 HIS HB2 H 1 3.07 0.02 . 2 . . . . 73 HIS HB2 . 15317 1 953 . 1 1 73 73 HIS HB3 H 1 3.07 0.02 . 2 . . . . 73 HIS HB3 . 15317 1 954 . 1 1 73 73 HIS C C 13 174.4 0.2 . 1 . . . . 73 HIS C . 15317 1 955 . 1 1 73 73 HIS CA C 13 55.5 0.2 . 1 . . . . 73 HIS CA . 15317 1 956 . 1 1 73 73 HIS CB C 13 29.6 0.2 . 1 . . . . 73 HIS CB . 15317 1 957 . 1 1 73 73 HIS N N 15 119.7 0.2 . 1 . . . . 73 HIS N . 15317 1 958 . 1 1 74 74 HIS H H 1 8.47 0.02 . 1 . . . . 74 HIS H . 15317 1 959 . 1 1 74 74 HIS HA H 1 4.57 0.02 . 1 . . . . 74 HIS HA . 15317 1 960 . 1 1 74 74 HIS HB2 H 1 3.13 0.02 . 2 . . . . 74 HIS HB2 . 15317 1 961 . 1 1 74 74 HIS HB3 H 1 3.13 0.02 . 2 . . . . 74 HIS HB3 . 15317 1 962 . 1 1 74 74 HIS C C 13 173.6 0.2 . 1 . . . . 74 HIS C . 15317 1 963 . 1 1 74 74 HIS CA C 13 55.6 0.2 . 1 . . . . 74 HIS CA . 15317 1 964 . 1 1 74 74 HIS CB C 13 29.5 0.2 . 1 . . . . 74 HIS CB . 15317 1 965 . 1 1 74 74 HIS N N 15 120.5 0.2 . 1 . . . . 74 HIS N . 15317 1 966 . 1 1 75 75 HIS H H 1 8.29 0.02 . 1 . . . . 75 HIS H . 15317 1 967 . 1 1 75 75 HIS HA H 1 4.40 0.02 . 1 . . . . 75 HIS HA . 15317 1 968 . 1 1 75 75 HIS HB2 H 1 3.07 0.02 . 2 . . . . 75 HIS HB2 . 15317 1 969 . 1 1 75 75 HIS HB3 H 1 3.19 0.02 . 2 . . . . 75 HIS HB3 . 15317 1 970 . 1 1 75 75 HIS CA C 13 57.1 0.2 . 1 . . . . 75 HIS CA . 15317 1 971 . 1 1 75 75 HIS CB C 13 29.7 0.2 . 1 . . . . 75 HIS CB . 15317 1 972 . 1 1 75 75 HIS N N 15 125.4 0.2 . 1 . . . . 75 HIS N . 15317 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 15317 _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 122.944 2.068 7.462 281149 122.888 1.927 7.464 214221 122.933 3.875 7.456 155359 114.754 0.642 8.211 903230 114.720 1.314 8.210 191391 114.744 3.427 8.211 1386224 120.400 3.619 7.600 245448 120.390 7.163 7.593 519392 119.999 6.844 8.151 569707 120.030 7.701 8.139 565743 118.901 7.378 7.839 188727 118.010 1.018 7.971 897951 121.010 1.531 8.710 185137 120.803 8.155 8.624 170147 120.764 8.271 8.635 173444 120.859 7.795 8.256 272010 119.758 2.134 7.367 459329 119.919 8.139 7.824 503613 122.511 1.950 7.736 292860 120.289 3.440 8.471 776543 124.362 6.506 8.961 315336 124.307 7.238 8.964 335019 118.965 2.484 7.287 195208 122.297 7.642 8.107 360242 124.730 1.697 8.798 164581 124.782 1.988 8.801 200716 112.109 2.954 8.820 271452 112.127 2.879 8.819 268918 123.979 0.960 8.176 246223 116.813 0.843 7.821 240976 116.822 8.020 7.819 2845189 114.199 1.450 8.065 331072 119.132 4.540 8.259 544924 113.170 7.923 8.379 282218 120.732 1.762 7.795 192135 124.599 0.619 7.456 645751 124.570 2.221 7.463 263533 124.591 4.328 7.463 167096 124.874 6.501 6.847 1300801 124.878 7.217 6.845 904254 119.540 1.929 8.418 230529 122.416 1.665 7.742 268800 117.849 2.629 8.051 235133 120.957 1.909 8.702 343734 119.740 1.965 7.369 550134 112.044 3.967 7.042 411394 112.048 3.964 6.954 286181 118.968 0.817 7.293 655206 112.056 1.616 7.624 229016 120.395 2.352 7.604 495396 118.797 2.767 7.827 383146 120.385 3.422 7.602 734292 117.887 7.605 8.017 472921 120.032 2.420 8.997 597282 120.009 2.132 8.998 502703 122.986 0.904 7.461 476508 106.563 7.378 8.945 694036 121.070 1.875 7.802 306248 120.837 2.421 7.802 299717 120.759 2.026 7.798 253620 114.742 7.791 8.210 292683 114.723 0.810 8.213 484291 119.986 1.030 7.753 688064 111.713 4.196 7.143 302367 122.273 2.827 8.117 233046 113.040 1.432 7.722 390948 113.045 1.424 7.020 484249 121.756 0.659 8.536 397649 123.927 0.686 8.192 241024 106.590 7.208 8.942 365142 118.212 0.950 8.366 462905 118.818 8.728 7.835 321508 118.771 8.357 7.828 287904 118.076 3.057 8.366 407335 118.148 3.220 8.364 181046 122.288 8.742 8.893 1991577 119.014 8.884 8.734 1744296 116.782 8.733 8.235 165272 118.771 7.590 7.829 529248 119.605 7.604 7.835 1509344 120.402 8.063 7.606 567289 119.525 8.198 7.833 219750 121.007 7.835 8.703 321941 119.636 8.688 7.838 130041 120.848 8.019 8.261 582181 121.128 8.965 8.722 129555 120.016 8.702 9.000 257464 117.349 8.701 8.153 182489 115.024 6.871 7.359 163129 122.776 7.721 8.929 203112 121.353 9.003 7.735 266123 116.937 8.968 8.414 154934 123.919 7.620 8.274 286481 119.731 8.201 7.626 231463 113.962 8.461 7.610 320585 122.416 7.244 7.741 304293 121.633 8.793 8.512 2450352 114.053 3.748 8.065 585789 114.053 1.903 8.061 640407 114.187 1.205 8.063 199520 116.829 4.072 7.822 1143136 116.829 1.241 7.822 336628 116.829 1.910 7.818 2914310 118.070 3.903 7.974 1339340 118.070 4.018 7.974 1308097 120.261 3.897 7.859 2036096 120.261 3.809 7.859 1427450 120.261 1.876 7.855 334285 120.181 7.374 7.851 324399 120.261 4.214 7.859 265920 121.476 4.201 7.798 877792 121.476 3.816 7.795 495766 121.511 3.246 7.770 265547 121.460 2.946 7.801 358726 121.476 3.268 7.798 199677 121.775 2.634 8.546 219591 118.785 3.292 8.503 437044 118.751 1.450 8.503 386669 124.734 3.256 8.794 196678 124.776 0.849 8.798 758477 121.633 0.842 8.514 1706703 121.633 3.538 8.514 578708 121.633 3.775 8.514 1912123 118.975 2.052 7.284 496169 124.306 3.133 8.965 232590 119.960 3.761 7.751 427978 116.889 2.025 8.409 332093 116.878 2.761 8.413 152988 120.849 1.117 7.802 264407 120.847 4.236 7.796 412477 106.618 2.754 8.946 314296 115.770 2.318 8.418 301505 115.782 0.788 8.420 580981 122.709 1.819 8.927 281469 122.721 0.612 8.926 505192 122.979 2.667 7.460 590987 113.191 2.687 8.386 2198395 113.191 1.302 8.386 388500 113.754 1.342 7.392 924045 113.754 3.843 7.389 256861 112.025 3.789 7.365 463097 114.995 3.876 7.362 367504 115.011 3.606 7.368 134767 114.995 0.768 7.365 236331 115.040 1.430 7.354 237992 121.892 2.571 8.383 183770 121.883 2.924 8.384 192075 121.841 2.454 8.382 264354 116.513 0.943 6.886 758742 116.513 1.085 6.886 505534 116.504 4.412 6.887 145195 119.775 1.397 7.370 280696 120.000 3.822 8.994 484038 120.000 0.849 8.997 757511 120.000 0.761 9.001 628226 117.277 1.004 8.153 900235 116.774 0.748 8.227 444740 118.771 0.714 7.832 530865 118.923 2.936 7.848 126874 115.519 8.999 6.842 151131 115.525 8.995 7.812 150791 120.681 1.969 8.627 248683 120.701 8.617 8.628 10958872 120.707 4.181 8.630 423400 120.697 1.809 8.628 790622 120.701 1.157 8.630 397582 120.685 1.469 8.629 347497 120.698 0.886 8.630 393209 125.446 4.183 8.379 11689868 125.431 1.814 8.383 1374682 125.445 2.015 8.380 3584976 125.441 0.891 8.380 4320259 120.463 4.133 8.447 11576359 120.375 2.024 8.451 2480361 120.426 4.427 8.447 2807110 120.449 8.439 8.447 108603824 123.427 4.417 8.330 7515024 123.406 3.813 8.330 1454908 123.411 4.153 8.331 2534582 123.419 1.564 8.328 5456120 123.415 1.125 8.328 1609526 120.021 4.412 8.152 511222 119.975 3.771 8.153 600593 120.009 8.313 8.149 2966094 119.973 4.153 8.154 5413507 119.970 1.563 8.153 1928732 119.981 1.129 8.152 618597 119.973 8.145 8.154 57863392 119.974 4.639 8.152 2062911 119.974 2.732 8.152 3554280 119.987 2.921 8.152 1960271 119.964 7.009 8.154 1553110 120.021 0.933 8.152 493490 118.064 4.638 8.363 5535176 118.069 2.736 8.363 994750 118.056 2.925 8.363 1460135 118.059 7.000 8.371 505703 118.066 8.351 8.363 27136958 118.061 4.402 8.364 2194328 118.063 3.947 8.361 2579396 118.059 4.159 8.364 1794449 118.067 8.881 8.364 595220 118.157 1.533 8.364 303218 118.138 1.950 8.365 790734 118.049 7.801 8.361 539114 122.308 8.352 8.894 431733 122.288 3.957 8.892 740085 122.276 4.160 8.895 1428156 122.270 8.883 8.893 14931980 122.276 2.784 8.895 3098729 122.282 2.001 8.892 224901 122.282 4.401 8.893 6119136 122.249 7.747 8.895 369031 113.426 4.392 7.732 299405 113.421 7.726 6.956 21496560 113.410 6.942 7.735 24597948 113.413 2.785 7.735 1837097 113.424 2.788 6.957 1017875 113.356 0.919 7.732 230884 113.466 0.937 6.951 136092 119.017 4.151 8.739 933523 119.022 4.402 8.738 1865275 119.017 2.784 8.739 2171318 119.016 3.993 8.740 2478569 119.022 1.986 8.738 3831826 119.028 2.301 8.737 1570893 119.016 7.747 8.739 2341404 119.049 8.244 8.737 372659 121.515 8.731 7.756 1937272 121.465 7.744 7.759 25954432 121.442 1.529 7.749 1094664 121.482 0.947 7.751 544113 121.459 8.907 7.740 382616 121.353 4.011 7.734 879394 121.494 1.963 7.754 4872938 124.597 6.740 7.455 3241196 124.608 4.089 7.456 372554 124.599 3.085 7.455 1958941 124.600 3.225 7.455 2320985 124.599 7.444 7.455 33424442 124.604 1.519 7.455 1759256 124.600 1.711 7.454 1982875 124.608 1.937 7.457 739658 124.598 0.730 7.454 986820 124.591 0.902 7.458 460031 118.773 4.403 7.829 710985 118.794 4.057 7.831 585518 118.784 1.500 7.826 359382 118.972 1.708 7.849 348263 118.733 7.802 7.827 11706500 118.783 3.418 7.833 1286696 118.791 2.093 7.828 3017640 118.784 0.956 7.832 3581416 118.785 8.220 7.832 1909442 116.780 4.407 8.224 486143 116.800 4.018 8.227 1030428 116.800 3.405 8.227 539968 116.786 0.920 8.227 1473733 116.778 8.216 8.227 16269654 116.778 3.891 8.227 1832628 116.780 2.249 8.225 1583733 116.791 2.375 8.226 1555945 116.779 2.011 8.226 4892949 116.781 7.597 8.228 2034938 116.786 7.813 8.224 2375692 120.406 1.443 7.605 1182653 120.421 2.013 7.606 5325624 120.400 4.027 7.606 3030381 120.438 7.812 7.604 2082300 120.384 8.214 7.605 3379733 119.599 3.401 7.835 554408 119.570 2.045 7.837 3304195 119.602 3.615 7.834 1116850 119.600 8.081 7.837 1265995 119.551 4.046 7.841 610973 119.604 0.771 7.836 2471616 119.370 2.079 7.853 3147174 117.858 7.589 8.060 437788 117.826 3.369 8.071 965187 117.832 1.821 8.072 2575408 117.848 0.848 8.055 2509837 117.867 1.801 8.011 2672258 117.858 0.779 8.018 2260830 117.876 3.822 8.015 2325246 117.871 2.397 8.010 1380164 117.867 8.698 8.011 2049723 115.514 3.842 7.809 386331 115.522 3.819 6.836 439502 115.509 7.799 6.840 22095664 115.511 6.825 7.810 22060388 115.517 2.436 7.812 2375342 115.506 2.433 6.841 1547417 115.497 2.192 7.813 409057 115.519 2.142 6.840 364409 115.519 4.424 7.809 240606 115.509 1.392 7.808 281447 115.521 1.393 6.838 297534 115.496 1.932 7.813 302207 115.506 1.921 6.842 389316 115.509 0.784 7.811 463911 115.507 0.769 6.838 505012 121.005 4.020 8.705 572734 121.006 1.422 8.713 342182 121.002 3.613 8.705 889436 120.990 1.783 8.699 393652 120.996 0.774 8.705 827714 120.999 7.999 8.707 2066926 121.006 2.168 8.706 1984544 120.995 4.403 8.707 1789222 121.004 2.517 8.706 1705978 121.005 3.039 8.706 2226902 121.006 8.244 8.705 1971313 121.013 0.949 8.707 717334 120.838 3.608 8.260 329743 120.843 3.353 8.259 474306 120.847 8.700 8.262 1609858 120.810 4.400 8.261 449645 120.843 2.511 8.261 799350 120.837 3.043 8.261 803530 120.812 8.248 8.263 9028963 120.843 4.005 8.260 1334475 120.838 2.315 8.261 1549629 120.837 0.806 8.260 1967325 120.840 2.094 8.261 2210192 120.831 1.869 8.261 579702 120.854 8.982 8.260 272936 120.834 7.377 8.259 171909 120.838 0.965 8.260 1825747 117.254 3.355 8.153 233341 117.318 6.836 8.160 168143 117.235 4.424 8.153 268558 117.267 2.318 8.155 965729 117.258 8.147 8.155 8843884 117.265 3.922 8.156 1329190 117.270 1.398 8.156 1169821 117.261 1.860 8.155 2554423 117.268 8.988 8.156 1330418 117.264 2.939 8.143 217672 117.266 7.355 8.160 213840 117.261 0.804 8.156 2091998 119.986 7.806 8.996 238223 119.997 8.146 8.999 1735458 120.000 3.918 8.996 592954 120.004 1.903 8.998 1149161 119.989 8.986 8.998 13720686 119.994 2.919 8.999 2668769 119.985 2.590 8.999 1665001 119.988 7.357 9.000 1491074 119.982 1.066 9.000 522142 119.996 4.411 8.998 2381994 119.971 6.853 8.994 315864 119.747 4.000 7.371 541988 119.799 8.161 7.374 194174 119.758 8.988 7.368 1260273 119.747 2.924 7.366 848976 119.770 2.591 7.368 828693 119.742 3.600 7.370 1366444 119.752 2.416 7.368 2593330 119.770 0.962 7.365 1620467 119.753 1.078 7.368 3235266 119.758 6.868 7.368 1752878 119.770 0.839 7.365 1131706 119.739 8.404 7.372 401382 119.771 4.414 7.368 615880 116.484 9.005 6.885 174947 116.497 7.363 6.883 1004221 116.519 3.612 6.878 255833 116.501 2.414 6.886 723572 116.498 6.870 6.882 4082423 116.498 3.887 6.883 769809 116.496 1.391 6.883 589598 116.501 2.143 6.883 900463 116.486 0.852 6.883 1259254 116.496 1.965 6.883 1241226 116.499 8.420 6.879 874893 120.259 6.872 8.435 1268765 120.265 1.396 8.446 725008 120.270 1.040 8.438 2744323 120.414 3.785 8.446 4205832 120.249 7.364 8.437 513344 121.843 4.425 8.382 575289 121.885 3.614 8.380 507283 121.885 6.863 8.383 319724 121.885 3.774 8.383 866069 121.901 2.121 8.382 2151519 121.898 0.930 8.383 1528930 121.895 1.029 8.381 1049820 121.892 4.033 8.382 2084103 121.890 1.543 8.381 1250283 121.899 1.932 8.382 4596422 121.898 7.355 8.382 1921868 121.898 7.954 8.373 442950 115.032 0.913 7.364 586709 115.023 8.375 7.364 1122391 115.033 4.008 7.361 528054 115.020 1.924 7.363 1042625 115.018 7.353 7.364 7357896 115.024 4.326 7.362 885733 115.021 1.774 7.362 1249297 115.030 7.970 7.362 1307158 115.025 2.298 7.362 1406919 115.021 2.438 7.364 830417 116.308 0.901 7.983 949960 116.298 8.378 7.982 432567 116.312 1.920 7.983 568902 116.306 4.329 7.983 1030397 116.295 1.779 7.983 545687 116.310 7.970 7.981 17857306 116.304 3.950 7.983 5774193 116.306 7.355 7.984 4582861 116.306 2.170 7.983 4094936 112.152 0.892 7.367 4021355 112.207 1.770 7.373 303068 112.164 7.973 7.365 1458255 112.152 3.948 7.367 1876952 112.144 7.358 7.368 16613963 112.143 4.207 7.369 1231582 112.127 1.431 7.365 301044 112.145 2.145 7.367 1729738 113.874 4.207 7.393 3409834 113.855 2.133 7.390 1295417 113.861 0.910 7.391 1094262 113.877 1.434 7.392 1793361 113.934 3.915 7.394 337741 113.848 1.615 7.393 772689 113.836 0.715 7.396 488077 113.915 8.898 7.388 135696 113.870 7.381 7.391 9494922 113.888 0.615 7.391 679011 113.901 4.646 7.394 786718 113.193 1.436 8.386 729579 113.185 1.846 8.387 1784417 113.194 2.090 8.386 1610940 113.186 3.831 8.385 1082476 113.184 8.376 8.387 24185596 113.190 4.233 8.386 2499358 113.186 2.567 8.386 2815872 113.191 7.446 8.386 2674280 113.177 1.616 8.385 431909 113.163 0.734 8.386 368643 113.192 8.915 8.388 522143 113.188 4.661 8.386 1313714 122.994 1.855 7.456 203427 122.984 2.118 7.464 329640 123.006 3.952 7.464 161352 122.968 8.381 7.459 1744054 122.969 2.565 7.463 738952 122.961 4.189 7.460 1456702 122.967 1.607 7.460 1593767 122.973 1.309 7.459 2086093 122.995 0.676 7.458 673731 122.982 8.911 7.457 1868816 123.034 3.744 7.473 239751 122.982 1.479 7.458 845978 123.009 2.314 7.452 190882 122.920 4.645 7.459 230393 122.736 0.768 8.925 833666 122.742 0.894 8.925 1189783 122.743 4.145 8.922 767526 122.755 2.123 8.927 415391 122.735 7.445 8.926 2068320 122.721 1.609 8.923 1055932 122.721 1.300 8.923 1120616 122.725 8.914 8.928 9182826 122.726 3.725 8.925 1145721 122.730 1.475 8.926 2902218 122.733 8.408 8.927 1596794 115.766 4.223 8.419 655091 115.795 7.449 8.421 367397 115.772 8.915 8.420 1059345 115.774 3.733 8.416 334336 115.796 1.486 8.418 1961702 115.760 8.416 8.422 9225444 115.778 4.010 8.421 1055786 115.794 1.972 8.420 1890222 115.791 0.658 8.420 1176287 115.788 0.535 8.420 958261 115.779 1.820 8.420 1944258 115.793 7.722 8.420 1483365 121.324 3.740 7.737 290299 121.389 2.693 7.735 788350 121.358 2.316 7.736 4367057 121.350 8.411 7.735 3553779 121.361 0.683 7.736 678068 121.358 4.227 7.735 2458776 118.618 0.717 8.419 971822 118.643 3.732 8.424 496899 118.656 7.723 8.419 1693635 118.654 2.673 8.420 2096798 118.656 2.333 8.419 2250854 118.657 3.938 8.419 1115220 118.666 2.950 8.423 1548405 118.648 8.998 8.418 1458303 118.636 4.218 8.421 698531 119.566 3.734 9.016 271742 119.568 7.747 9.016 295996 119.537 8.409 9.015 1187936 119.614 2.401 9.012 547530 119.547 3.947 9.014 1363601 119.547 1.300 9.016 835227 119.553 2.015 9.016 1209426 119.536 0.680 9.017 1197332 119.566 0.848 9.014 1195699 119.553 1.732 9.016 1321053 119.547 3.947 9.014 1363601 106.585 4.230 8.945 477687 106.549 8.416 8.945 454991 106.556 1.302 8.947 561824 106.583 2.020 8.946 829412 106.597 0.871 8.944 545124 106.530 1.740 8.949 313705 106.568 8.935 8.946 10149562 106.581 3.598 8.945 1513328 106.553 7.782 8.945 1314053 106.547 8.235 8.947 277345 106.545 0.980 8.947 448270 106.595 6.900 8.945 301353 106.561 3.965 8.946 2702961 106.543 0.662 8.947 591566 120.857 0.823 7.803 1013570 120.845 8.937 7.798 1871518 120.839 3.605 7.796 790560 120.837 4.433 7.798 1704772 120.841 2.632 7.799 1989408 120.845 2.762 7.799 2992726 120.834 7.132 7.800 1213680 120.837 8.248 7.799 2380984 120.902 1.458 7.803 444326 120.848 8.381 7.795 487359 120.845 3.951 7.801 2208389 111.809 0.818 7.147 1022795 111.796 3.950 7.147 386477 111.843 4.426 7.145 370776 111.819 2.749 7.147 1021810 111.842 7.780 7.142 649931 111.648 2.600 7.151 1405185 123.910 0.826 8.262 1133847 123.951 8.932 8.257 288699 123.931 7.788 8.258 2195387 123.939 4.440 8.252 603063 123.924 2.622 8.262 735337 123.906 2.760 8.259 1002967 123.893 7.144 8.269 194133 123.924 1.468 8.260 3198174 123.937 2.221 8.259 320986 123.924 3.961 8.260 2271014 116.911 0.661 8.410 1190176 116.885 3.605 8.415 431610 116.872 7.810 8.416 325252 116.861 4.425 8.411 170100 116.913 1.471 8.410 1744998 116.889 3.173 8.412 1208505 116.891 2.228 8.411 2170880 116.905 0.284 8.414 1009802 116.895 0.985 8.413 3120454 116.957 4.197 8.405 210584 116.902 7.599 8.414 350933 116.892 8.230 8.413 3015932 116.882 3.967 8.412 881714 114.740 3.967 8.216 429209 114.731 1.455 8.212 269882 114.773 8.389 8.208 1882558 114.743 3.166 8.210 482312 114.754 2.230 8.212 1512092 114.748 0.282 8.212 882178 114.750 8.199 8.211 13284620 114.743 4.429 8.212 833675 114.746 4.197 8.213 2139247 114.747 1.026 8.212 1684045 114.743 7.595 8.212 1860000 114.764 2.795 8.217 342547 114.747 1.713 8.205 264979 120.325 3.180 7.604 232660 120.347 1.024 7.601 1026058 120.348 2.783 7.601 4138967 120.345 7.026 7.601 736182 120.376 0.801 7.599 1158399 120.350 8.447 7.600 526229 120.361 4.176 7.600 3500535 112.066 7.586 7.038 685364 112.050 4.186 7.045 466216 112.065 4.174 6.951 311461 112.036 2.780 7.043 1066056 112.050 2.786 6.951 691088 112.050 0.778 7.042 1179453 112.044 0.777 6.955 1008350 112.060 7.599 6.945 555340 119.709 3.176 7.631 616121 119.780 4.182 7.627 624549 119.724 2.768 7.628 1331452 119.720 3.766 7.628 1249539 119.731 2.024 7.628 2564362 119.721 0.570 7.629 1181468 119.732 1.017 7.627 1521112 119.726 1.655 7.629 1942227 119.722 0.774 7.629 1528004 119.727 8.460 7.629 1934124 119.736 7.614 7.628 11878444 120.344 0.256 8.459 377526 120.302 7.611 8.471 1964634 120.337 3.540 8.469 1373570 120.310 0.504 8.473 1043896 120.374 0.883 8.451 3423861 120.317 7.736 8.471 1673450 120.312 1.709 8.473 3765464 119.947 4.172 7.750 1069031 119.950 8.463 7.749 2285208 119.971 3.540 7.751 757968 119.953 1.716 7.749 1577459 119.962 0.500 7.742 418424 119.937 0.808 7.750 1374237 119.956 7.740 7.751 21533680 119.987 3.945 7.750 1953210 119.957 1.349 7.750 5539564 119.952 6.818 7.748 277983 119.804 2.376 7.745 360623 113.960 3.765 7.607 632251 113.933 3.552 7.612 606364 113.960 1.707 7.606 346867 113.956 3.952 7.608 782494 113.953 1.347 7.609 1284123 113.953 7.599 7.609 18079420 113.952 4.186 7.609 1772340 113.956 2.172 7.608 2453408 113.954 2.313 7.607 2461334 113.949 7.148 7.605 421386 113.954 2.590 7.608 1935214 113.960 1.056 7.608 899313 113.958 0.799 7.609 574196 113.965 7.733 7.605 5210280 111.602 3.765 7.151 745983 111.608 3.760 6.820 593299 111.614 0.572 7.154 759165 111.596 0.571 6.822 895837 111.620 0.777 6.821 339763 111.589 4.170 6.820 302472 111.603 7.138 6.819 23257140 111.598 6.809 7.152 23228366 111.631 2.343 7.151 969601 111.594 2.590 6.820 812101 111.619 2.327 6.821 647408 122.406 3.546 7.746 1211212 122.387 0.809 7.748 681616 122.433 3.945 7.748 888661 122.411 1.356 7.754 407120 122.425 7.604 7.740 3772898 122.409 4.195 7.746 1035997 122.406 2.160 7.746 733728 122.441 2.330 7.741 717669 122.412 7.733 7.746 19776240 122.416 4.368 7.744 1524210 122.410 2.520 7.747 3018581 122.413 1.054 7.745 4545896 122.398 1.505 7.748 408203 122.414 1.860 7.745 321214 122.416 6.832 7.745 696700 124.347 4.334 8.964 5894924 124.344 1.735 8.963 803443 124.343 2.439 8.965 1078088 124.341 8.955 8.965 15928383 124.350 3.576 8.965 1970302 124.342 2.078 8.965 4238624 124.351 2.304 8.964 1451034 124.360 8.624 8.963 1032644 124.364 3.936 8.965 324955 124.405 7.957 8.965 320919 124.308 6.841 8.962 253043 112.017 1.712 8.643 684649 111.994 2.428 8.644 433664 111.990 8.961 8.645 1090742 112.009 3.576 8.645 699668 111.997 2.065 8.644 2207812 112.001 2.305 8.643 737385 112.009 8.633 8.643 16724105 112.012 4.238 8.645 2067367 112.004 3.966 8.644 2710770 112.002 7.949 8.645 1994530 111.983 1.422 8.645 332607 112.003 7.280 8.643 489812 119.557 1.038 7.951 842940 119.581 2.444 7.953 406232 119.575 8.946 7.957 265425 119.560 3.560 7.956 758221 119.562 8.629 7.955 1452582 119.556 4.228 7.954 661368 119.555 3.971 7.956 590566 119.555 4.644 7.955 1404868 119.558 1.646 7.954 2472576 119.568 1.995 7.954 1590589 119.554 1.424 7.957 1857289 119.559 7.282 7.957 4483142 119.584 8.430 7.962 309845 118.983 1.036 7.292 1159466 118.927 2.325 7.283 148609 118.998 8.627 7.293 392573 118.975 4.235 7.294 314152 118.976 7.948 7.293 4328742 118.996 4.639 7.292 722236 118.978 7.282 7.293 13627975 118.982 3.540 7.293 2095827 118.983 1.827 7.292 3295092 118.977 3.084 7.293 480321 118.980 6.826 7.291 418232 118.989 8.431 7.292 1435871 118.976 1.531 7.293 2410529 124.868 0.801 6.844 645373 124.875 3.951 6.844 730480 124.867 7.740 6.847 540721 124.883 2.511 6.842 497277 124.867 1.044 6.845 781994 124.903 4.360 6.848 206221 124.889 8.961 6.850 149917 124.862 3.566 6.846 923105 124.855 2.293 6.844 213843 124.867 3.071 6.847 1446925 124.872 6.829 6.845 10526686 124.866 1.853 6.846 1426494 124.875 1.517 6.846 1544237 118.309 4.639 8.435 367884 118.382 7.280 8.441 1598683 118.388 1.507 8.440 1302502 118.387 3.459 8.440 2349271 118.393 1.942 8.440 4955342 118.392 0.956 8.441 4932789 118.385 8.101 8.442 3215733 122.276 4.645 8.115 524030 122.282 7.279 8.111 328292 122.267 8.436 8.116 3389364 122.280 3.465 8.115 936853 122.272 1.949 8.117 3229026 122.267 0.878 8.117 1903302 122.270 4.172 8.117 2813957 122.269 1.436 8.117 7003162 117.840 3.522 8.049 985163 117.862 4.167 8.046 849672 117.863 1.436 8.048 2733546 117.858 3.778 8.045 2459148 117.862 2.129 8.037 4992076 117.850 1.110 8.051 4485928 117.855 8.499 8.049 2816024 121.620 0.490 8.513 507914 121.639 3.462 8.515 1020987 121.616 8.039 8.512 2627322 121.612 2.189 8.512 3488771 121.608 0.990 8.513 3181170 121.732 3.745 8.535 1782777 124.790 3.441 8.795 355844 124.782 4.175 8.797 1021769 124.762 1.444 8.800 508538 124.754 8.066 8.796 448839 124.771 3.745 8.796 887395 124.768 2.206 8.798 1689844 124.770 1.042 8.798 2163716 124.773 8.788 8.797 19719940 124.769 4.438 8.798 2324760 124.770 2.824 8.799 3791983 124.768 2.637 8.799 2385775 124.768 8.499 8.798 5155151 118.740 4.184 8.499 658245 118.756 3.767 8.499 1030445 118.755 2.636 8.500 1709815 118.765 2.944 8.499 3962001 118.757 8.198 8.505 308086 118.777 8.787 8.498 2469932 118.766 4.447 8.499 2988502 118.763 2.857 8.499 4005156 113.021 3.773 7.023 308768 113.031 1.107 7.720 181418 113.044 8.504 7.726 428296 113.024 8.496 7.016 328131 113.087 4.450 7.723 276825 113.039 4.441 7.014 288087 113.034 2.950 7.725 1409862 113.035 2.950 7.018 1188512 113.030 7.715 7.019 25799390 113.023 4.198 7.728 171163 113.012 4.185 7.019 129505 121.803 4.444 8.545 924933 121.801 2.871 8.545 1488313 121.806 2.949 8.547 1455280 121.794 4.203 8.547 1887205 121.803 3.279 8.547 4009270 121.795 7.148 8.544 542347 121.751 1.510 8.543 514275 121.746 8.797 8.541 2362394 112.107 1.001 8.812 315564 112.129 4.203 8.816 567026 112.129 3.280 8.816 1537678 112.122 8.807 8.817 9520804 112.118 3.802 8.817 1277715 112.134 5.114 8.815 607290 112.125 1.512 8.816 2077912 112.121 8.175 8.819 1558792 112.124 1.918 8.823 295671 112.173 7.795 8.816 290912 112.090 1.233 8.809 187877 112.168 0.669 8.818 276961 112.115 8.534 8.816 1670049 112.128 4.442 8.816 1729031 123.972 8.514 8.187 387152 123.974 3.299 8.181 253372 123.975 8.806 8.183 2146492 123.975 3.828 8.185 853410 123.993 5.104 8.179 344933 123.974 1.545 8.184 1886155 123.966 8.177 8.186 20681292 123.965 3.993 8.185 2534404 123.970 1.921 8.183 4212972 123.972 7.793 8.185 3279326 123.976 2.892 8.185 299722 123.962 1.392 8.185 1438573 123.969 4.444 8.183 2428748 121.499 4.448 7.800 659353 121.465 8.174 7.802 2715961 121.486 4.058 7.798 3597694 121.473 1.381 7.802 6729017 120.151 4.034 7.858 848393 120.172 1.401 7.857 3698868 120.169 1.235 7.858 3257084 120.138 0.649 7.856 1005273 120.081 7.841 7.861 19770672 118.038 1.238 7.971 1405742 118.028 3.743 7.973 2204832 118.024 1.894 7.971 4414332 118.038 1.452 7.972 3420586 116.804 3.730 7.820 915361 116.827 1.705 7.820 611467 116.808 1.408 7.821 970184 116.833 7.814 7.819 20244920 116.815 3.948 7.820 3177362 116.810 2.060 7.820 4708212 116.798 2.367 7.818 1659000 116.872 0.981 7.821 276621 112.038 3.964 7.632 265740 112.069 2.128 7.626 415261 112.053 7.615 6.802 31652456 112.052 6.788 7.628 35719920 112.050 2.364 7.629 1234902 112.080 2.392 6.802 628118 112.085 0.802 7.621 207635 112.067 0.813 6.789 195609 114.216 0.651 8.065 276542 114.197 2.060 8.062 2206757 114.186 2.343 8.064 524742 114.191 8.055 8.064 21189082 114.193 4.152 8.063 2382871 114.219 0.803 8.056 256438 114.176 0.967 8.063 563932 114.191 7.834 8.064 5248648 114.195 3.933 8.063 5694998 119.330 8.042 7.856 2037824 119.303 4.152 7.862 692990 119.270 0.960 7.859 3431462 119.286 3.870 7.859 2388174 119.897 3.921 7.882 1271604 119.802 0.815 7.886 2143819 119.853 0.948 7.888 1388269 119.830 7.869 7.887 22629128 119.828 4.145 7.889 2072798 119.811 1.537 7.891 1844159 119.801 1.813 7.890 3173887 119.797 1.709 7.891 2743616 118.019 3.945 7.820 993847 118.167 0.956 7.822 472082 118.028 1.529 7.822 1327363 118.025 0.818 7.819 850784 118.042 7.812 7.818 42967360 118.038 2.163 7.820 1658670 118.036 2.288 7.821 2173498 118.030 1.946 7.820 6381643 118.034 3.107 7.821 312751 118.031 4.133 7.820 5800934 117.847 4.126 7.949 3270330 117.837 4.464 7.950 2862033 117.839 3.119 7.949 3638662 117.822 8.247 7.960 376162 119.163 7.938 8.267 211060 119.120 4.480 8.260 639671 119.125 3.042 8.249 388295 119.125 3.119 8.249 512024 119.633 4.583 8.424 322620 119.606 3.036 8.421 138722 120.337 3.154 8.470 359382 120.405 4.579 8.454 261646 125.342 4.584 8.285 4467931 125.349 3.116 8.282 2178472 125.352 4.406 8.279 1419216 ; 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 N 1 1215.800 . . . 15317 1 2 H 1 H 2 5998.466 . . . 15317 1 3 H 1 HN 1 10787.487 . . . 15317 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 2 $VNMR . . 15317 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 15317 _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 aliph' _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 41.696 1.877 1.387 365473 39.001 1.041 3.941 875389 45.600 7.847 1.052 443717 45.801 3.923 1.051 1269597 34.014 2.372 4.021 584599 50.393 1.634 2.010 246723 31.555 1.052 1.859 439291 36.193 2.007 2.287 7065676 31.940 0.770 4.342 222219 53.732 0.752 2.313 374486 36.085 7.628 2.168 138335 35.122 0.812 4.013 252322 32.493 8.181 1.879 1225781 36.452 0.997 3.736 1520158 50.282 1.043 1.440 967044 50.208 1.151 1.457 1031788 40.997 7.017 0.762 186246 36.832 8.685 0.836 131193 33.045 8.941 0.575 140842 37.344 8.810 0.493 143973 45.629 3.084 0.819 397308 45.365 7.368 0.882 2682168 40.716 3.888 1.928 259030 49.977 7.022 0.776 317461 46.006 7.611 0.846 437163 47.556 7.635 0.530 180923 47.539 3.184 0.531 453544 41.942 1.014 1.234 399951 48.854 8.422 0.643 249359 48.813 3.433 0.634 201105 49.188 8.423 0.858 120300 50.246 1.736 0.866 666940 32.638 8.807 1.961 164300 47.619 1.480 0.970 347959 46.388 2.969 1.093 284397 45.079 4.143 0.884 978754 46.315 3.430 0.289 163241 48.660 8.975 0.988 377470 48.480 7.838 0.968 317594 45.221 7.331 1.032 82423 40.983 3.116 3.845 239943 45.852 7.835 0.951 349312 52.761 1.003 3.115 113612 44.541 7.796 0.902 138995 43.745 3.427 4.207 681786 42.331 8.932 0.767 149393 31.935 2.151 3.946 224301 31.979 7.972 3.946 172325 54.742 3.090 1.552 181157 54.785 3.101 1.800 221591 42.391 2.293 2.306 666161 49.984 2.780 0.776 535664 46.009 2.780 0.848 1014458 46.623 8.927 0.931 446861 31.578 0.863 2.707 189065 31.949 7.047 3.978 131083 49.246 2.899 0.867 293615 40.977 3.879 0.763 603978 41.139 2.053 0.762 456317 53.054 2.311 0.829 172672 33.938 8.330 4.428 3026586 43.662 1.915 3.092 557800 32.212 4.037 1.918 1802852 53.743 8.261 1.141 119679 40.993 7.807 0.761 169059 40.958 2.628 0.764 576670 40.977 2.768 0.764 479372 40.973 3.949 0.761 681889 33.785 7.806 2.394 1650016 33.932 1.985 3.949 846382 46.128 1.975 0.956 627108 46.738 2.926 0.769 111211 32.484 8.954 2.154 157570 43.056 0.546 3.179 744539 44.045 2.796 4.213 108333 33.065 1.481 0.573 2053556 42.198 1.490 0.781 2225044 52.992 2.027 2.303 817000 45.321 8.930 0.886 513108 41.874 7.016 1.440 270269 42.644 0.664 3.755 384852 48.824 8.212 0.640 390619 32.430 7.802 1.880 774634 45.969 6.845 0.839 136099 46.002 7.026 0.847 163305 42.491 2.403 0.774 684219 44.063 0.654 4.211 99500 43.934 0.794 4.199 147222 41.885 3.102 1.356 152915 46.988 7.958 1.515 171033 47.050 7.837 1.515 268499 46.896 8.034 0.962 387782 45.418 7.938 1.055 365501 42.241 4.134 0.771 629145 45.095 8.007 0.930 178699 45.095 7.366 0.930 470877 36.055 7.960 4.000 380536 42.619 7.726 3.776 203698 38.173 4.398 4.400 40979444 38.174 2.422 4.400 1484992 38.250 3.362 4.400 199031 38.142 8.628 4.399 246435 38.169 1.992 4.400 503227 32.606 4.407 1.974 161055 32.546 4.382 2.431 471362 32.592 2.419 1.977 7056507 32.616 1.982 2.424 7762034 49.338 1.986 3.361 1386070 50.319 2.415 1.966 664582 50.352 2.414 2.030 873488 50.281 3.384 1.966 532878 50.336 3.378 2.029 794026 50.348 1.989 2.023 57123396 50.345 2.002 1.979 63482792 37.421 1.816 4.192 676487 37.407 1.159 4.191 504534 37.415 8.377 4.194 4563520 37.524 0.903 4.210 2342498 38.556 4.190 1.801 221628 38.573 1.470 1.812 909424 38.600 8.379 1.811 325628 38.480 0.829 1.802 1581948 38.518 1.164 1.804 429429 36.883 4.192 0.827 132944 36.823 1.454 0.819 130156 36.851 8.364 0.836 173025 51.262 4.188 1.167 259328 51.256 4.192 1.471 206437 51.265 1.159 1.463 10629602 51.273 1.460 1.160 8897368 51.265 0.848 1.162 2583906 41.411 8.643 0.872 171604 41.375 4.188 0.870 803204 41.369 1.812 0.900 560974 41.391 8.379 0.874 612410 38.069 2.022 4.141 1046090 38.051 0.893 4.139 2318478 38.064 8.436 4.140 3722046 32.770 8.381 2.021 909081 32.678 4.137 2.018 366233 32.774 0.896 2.023 2068712 44.556 8.377 0.907 1260566 44.558 4.137 0.905 905844 44.586 2.020 0.907 1220671 33.924 8.443 4.429 1019236 33.945 3.807 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31.574 1.634 4.650 1133810 31.568 1.991 4.648 952534 31.529 7.289 4.653 349792 31.595 8.094 4.647 234285 31.555 1.419 4.651 1373837 34.025 1.057 1.658 756387 34.001 1.073 1.996 799011 34.036 7.956 1.656 513419 34.022 7.956 1.994 428451 34.024 1.995 1.656 1932698 33.998 7.287 1.659 131841 34.017 7.283 2.001 134604 34.026 1.650 1.997 2471327 34.019 1.419 1.657 992560 34.025 1.426 1.996 1162892 52.833 7.960 1.570 189482 52.840 7.952 1.636 185637 49.023 7.955 1.422 520676 37.716 0.822 3.535 737652 37.704 1.067 3.537 1383311 37.714 7.289 3.539 654434 37.713 1.829 3.538 863841 37.694 8.461 3.538 310137 37.709 8.046 3.537 390527 37.712 2.118 3.538 837105 37.709 1.530 3.537 1242014 54.789 0.807 1.539 688736 54.788 0.815 1.805 513867 54.823 1.062 1.814 220657 54.787 7.290 1.543 372483 54.792 7.288 1.812 490104 54.776 1.817 1.545 1526432 54.782 8.453 1.544 192059 54.757 8.431 1.812 298520 54.779 0.966 1.546 276368 54.766 3.545 1.808 367278 54.777 1.543 1.809 1768572 44.128 0.804 3.058 592584 44.132 0.807 3.130 519842 44.155 3.571 3.077 230129 44.128 3.578 3.125 257375 44.123 6.842 3.043 241359 44.146 6.830 3.139 216819 44.187 1.848 3.064 393246 44.128 1.842 3.143 426558 44.072 1.532 3.068 579126 52.658 0.821 1.552 569859 52.615 0.810 1.872 479386 52.583 1.053 1.870 373491 52.556 7.294 1.526 272584 52.529 7.289 1.869 392341 52.533 3.551 1.526 397885 52.556 3.560 1.875 358907 52.612 3.050 1.526 346803 52.612 3.050 1.871 152607 52.612 3.140 1.523 180709 52.612 3.147 1.875 185009 52.539 6.833 1.512 259423 52.497 6.838 1.872 250056 52.556 1.515 1.872 1235935 43.400 1.717 3.437 631272 43.159 8.451 3.457 1178269 43.132 8.107 3.457 420452 43.159 8.791 3.460 155186 43.076 1.957 3.447 888184 45.218 8.436 0.874 1559615 45.257 3.457 0.865 1887965 45.229 1.960 0.869 4429148 45.236 8.104 0.866 1080689 45.381 1.470 0.879 2112732 47.506 1.528 0.965 299653 47.502 8.434 0.964 3378766 47.492 8.114 0.962 928120 47.490 1.951 0.963 4337392 41.880 8.470 1.442 695443 41.870 8.101 1.442 5620108 41.858 4.173 1.440 3018834 42.658 8.049 3.780 936787 42.626 1.099 3.778 2636094 42.629 3.769 3.774 9711010 42.612 0.889 3.771 1898141 42.639 8.516 3.756 1610676 31.482 0.504 2.128 223480 31.394 8.045 2.122 1082179 31.445 0.888 2.119 1664575 31.384 1.102 2.121 1630756 31.393 8.504 2.127 660426 31.410 3.536 2.122 491224 45.937 8.048 0.883 687594 45.942 8.503 0.886 966777 45.938 3.778 0.883 1451796 47.580 2.925 1.119 196326 47.630 3.532 1.120 647459 47.639 8.045 1.119 2831266 47.640 3.779 1.120 2259560 47.639 2.120 1.121 2813708 47.618 0.887 1.120 6520408 47.648 8.502 1.120 773735 47.603 7.731 1.117 188607 47.637 1.434 1.119 1194524 42.635 0.488 3.745 763114 42.642 2.199 3.745 932522 42.632 1.015 3.747 2137792 42.632 3.291 3.746 738295 42.629 8.803 3.749 471342 31.560 0.483 2.210 645100 31.557 3.466 2.211 423642 31.547 0.844 2.209 1072868 31.557 8.509 2.210 1709999 31.558 3.742 2.212 658640 31.558 1.001 2.211 2395702 31.567 8.797 2.212 674426 31.352 1.503 2.217 159507 45.392 1.689 1.055 1007855 45.567 3.445 1.053 1549927 45.424 8.502 1.054 1634816 45.430 3.739 1.055 1878346 45.414 2.209 1.056 2236405 45.427 8.799 1.058 1465351 48.607 0.492 0.982 4244740 48.541 3.456 0.969 307352 48.441 1.950 0.961 379820 48.507 8.034 0.978 230846 48.602 8.484 0.981 2274484 48.595 3.738 0.981 2299839 48.594 8.799 0.981 540033 48.596 1.487 0.983 1865983 33.724 2.825 4.440 1016887 33.847 8.167 4.427 341006 39.994 4.172 2.821 543054 40.013 1.441 2.816 226028 39.957 1.045 2.827 178466 40.032 1.043 2.633 212521 39.981 0.953 2.640 214592 40.012 8.795 2.826 1514617 40.015 8.794 2.640 1204999 39.969 4.449 2.825 254586 40.004 2.823 2.640 4936416 40.003 2.636 2.826 5144806 40.014 8.499 2.823 893571 32.459 2.880 4.461 1572592 32.459 1.912 4.463 845816 32.497 1.649 4.462 465677 32.505 1.378 4.458 265694 32.486 8.505 4.459 1358482 38.214 3.781 2.871 360715 38.219 3.777 2.972 345740 38.210 4.476 2.976 264830 38.240 2.889 2.968 7719434 38.233 2.939 2.969 7632304 38.228 7.724 2.974 617158 38.195 7.008 2.861 297357 38.225 7.011 2.962 253663 38.219 8.506 2.868 1750880 38.224 8.505 2.971 1614132 37.634 8.540 4.212 941706 37.632 3.288 4.213 1058255 37.620 7.157 4.214 698103 37.642 8.812 4.214 237741 37.597 1.398 4.213 1184248 39.727 3.749 3.288 251755 39.839 0.987 3.290 134091 39.813 8.541 3.293 852692 39.747 4.212 3.284 239370 39.805 7.156 3.290 555160 39.791 8.810 3.290 334222 39.793 1.515 3.291 131334 39.816 0.657 3.273 182060 42.202 7.158 3.819 231015 42.244 8.812 3.821 461269 42.227 4.445 3.817 232735 42.207 1.507 3.821 2404694 42.195 8.180 3.829 214337 42.200 7.847 3.820 437953 42.221 0.655 3.820 528939 42.048 7.982 3.786 417057 44.433 8.813 4.453 364177 44.468 3.816 4.450 563619 44.452 1.512 4.450 1763795 44.427 8.182 4.454 303985 47.054 8.535 1.514 218514 46.949 3.289 1.513 178749 47.014 7.153 1.514 771215 46.944 7.385 1.509 304738 47.020 8.812 1.516 1098616 47.008 3.815 1.515 1490916 46.990 4.443 1.514 629185 47.002 1.509 1.514 33667736 47.023 8.178 1.516 371131 47.009 0.660 1.515 1674727 47.045 2.879 1.516 349899 36.027 8.180 4.002 1135177 36.063 1.382 4.003 994040 36.053 1.596 4.000 1054940 35.992 1.913 4.002 2727390 36.071 2.916 4.002 174872 35.923 7.796 4.002 656796 32.503 8.181 1.949 1244806 32.324 1.612 1.940 2612627 32.487 7.802 1.953 772348 32.598 8.511 1.953 117930 53.470 8.180 1.656 322659 53.459 7.808 1.667 299861 49.297 8.175 1.371 237189 49.305 8.177 1.581 414424 49.290 4.002 1.371 410919 49.234 1.607 1.375 7680692 49.288 1.897 1.371 1191793 49.189 2.931 1.377 860616 49.347 7.804 1.369 231672 49.356 7.800 1.581 184098 54.745 7.808 4.074 1775204 54.742 1.384 4.076 3521046 54.742 1.384 4.076 3521046 54.718 2.058 4.075 897623 54.793 8.064 4.086 213477 54.745 7.808 4.074 1775204 41.728 4.071 1.384 3143083 41.754 0.666 1.374 751205 33.335 1.237 3.900 1225852 33.372 1.447 3.908 971323 33.332 7.848 3.903 1024484 33.327 0.649 3.901 1931536 41.886 7.850 1.222 915860 41.882 3.902 1.229 539398 41.876 3.900 1.468 540425 41.899 1.247 1.227 3304944 41.876 8.800 1.442 282999 41.919 0.654 1.224 1193552 48.814 2.234 0.640 529396 48.806 0.290 0.637 2952824 48.770 0.988 0.638 2154702 48.769 6.900 0.639 247237 48.806 7.155 0.644 366070 48.824 7.377 0.636 732036 48.814 7.846 0.639 513194 48.803 3.902 0.636 1528900 48.816 1.253 0.636 1245472 48.795 1.482 0.638 946241 50.213 6.895 0.674 273839 50.271 7.155 0.676 883621 50.266 7.379 0.674 1051072 50.298 7.847 0.675 537964 50.171 1.477 0.674 3303334 50.645 3.943 0.688 461995 50.502 0.984 1.297 649262 50.517 7.851 1.299 307524 50.500 3.890 1.295 194115 50.346 0.675 1.297 3988132 36.464 7.955 3.733 928333 36.457 1.898 3.735 1664083 36.457 1.700 3.736 690187 36.454 1.440 3.735 1305545 36.458 2.092 3.735 695201 36.455 7.850 3.735 833339 31.914 7.966 1.908 1189998 31.903 3.733 1.908 720075 53.341 7.962 1.688 310394 53.351 3.735 1.694 297192 50.268 7.964 1.439 571022 50.233 3.737 1.442 572184 50.260 1.899 1.449 1581463 50.256 1.690 1.440 3375306 50.250 2.893 1.437 625414 50.285 7.836 1.430 297331 50.271 0.857 1.440 662613 34.719 7.827 3.954 1683174 34.701 2.077 3.955 1964330 34.726 2.340 3.958 1117169 34.671 8.053 3.956 400497 34.597 1.830 3.951 806813 52.075 4.068 2.039 467463 52.161 7.819 2.037 1441830 52.166 7.820 2.115 1423332 52.162 2.338 2.038 2426743 52.110 2.365 2.127 2902143 52.167 8.050 2.040 588620 33.608 7.819 2.341 905048 33.572 3.959 2.335 691709 33.592 3.952 2.405 702698 33.613 8.040 2.344 258994 33.771 7.610 2.353 760175 37.408 8.057 4.158 775336 37.383 3.940 4.166 1364873 37.398 1.965 4.167 464939 37.481 7.837 4.166 609166 39.015 8.060 3.944 1291575 38.717 4.146 3.945 1195739 39.015 4.132 3.933 855474 38.999 7.851 3.941 713434 39.070 0.816 3.943 247397 39.031 0.648 3.945 271711 40.993 2.095 3.848 889779 40.985 0.819 3.847 1847347 40.993 0.964 3.850 2195538 40.986 7.865 3.850 1270816 45.637 7.866 0.817 1296675 45.682 3.847 0.819 1297701 45.702 0.817 0.819 58217468 46.829 1.714 0.956 987248 46.881 3.845 0.964 1873757 46.944 7.851 0.961 2759700 32.544 0.795 4.153 2918039 32.578 1.711 4.152 772466 32.833 7.818 4.136 1651173 41.750 3.952 1.830 190543 41.800 7.864 1.522 954304 41.762 7.872 1.824 961415 41.819 4.149 1.821 351929 41.750 1.535 1.823 3106832 41.762 1.819 1.826 3346785 41.716 0.833 1.533 1163346 41.637 0.867 1.823 1616049 41.637 0.784 1.823 507849 49.173 3.937 0.858 377773 49.241 7.856 0.864 375813 49.236 4.152 0.867 197028 49.221 1.515 0.864 1667333 49.229 1.823 0.865 1505337 49.237 0.862 0.864 100958760 49.189 1.705 0.862 1042328 46.962 7.875 0.791 814768 46.972 4.154 0.790 2037391 46.950 1.537 0.790 1891550 46.967 1.700 0.789 3156986 50.948 7.875 1.701 952432 51.001 0.784 1.696 1958260 32.775 7.842 4.142 1637995 32.919 2.289 4.145 1018623 32.882 1.960 4.136 3094463 32.725 3.105 4.146 247616 53.827 2.159 1.949 3540168 53.765 2.283 1.945 2103396 53.839 4.130 1.948 1308508 36.086 7.822 2.174 742462 36.098 4.131 2.169 694089 36.109 4.132 2.291 575583 36.109 2.284 2.172 15443106 36.095 1.953 2.171 4169303 32.246 7.943 4.473 830300 32.238 3.133 4.473 1947652 52.764 7.945 3.154 566772 52.802 4.475 3.148 300409 31.574 8.278 4.590 916822 31.558 3.113 4.591 7017058 53.562 4.585 3.038 443218 53.615 8.276 3.134 284941 53.551 4.589 3.127 675866 53.571 3.135 3.141 107673872 53.643 3.081 3.061 67583432 53.782 4.408 3.084 182634 53.751 4.411 3.191 229679 ; 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 C 1 3620.07 . . . 15317 2 2 H 1 H 2 5998.80 . . . 15317 2 3 H 1 HC 1 11001.10 . . . 15317 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 2 $VNMR . . 15317 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 15317 _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 20 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY arom' _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 133.048 8.158 7.021 331909 133.065 2.749 7.022 670368 133.083 2.934 7.020 605511 133.055 7.021 7.021 20893364 133.032 6.787 7.022 5063246 133.074 0.947 7.020 276856 133.021 0.727 7.020 342694 133.107 2.060 7.021 138992 133.051 8.358 7.018 131866 133.123 1.561 7.020 237129 118.042 1.572 6.783 233328 118.174 2.750 6.789 131518 118.114 2.921 6.788 141951 118.052 7.021 6.787 5570088 118.061 6.786 6.787 25673736 118.061 0.930 6.787 282270 118.083 0.733 6.785 250225 118.004 0.635 6.786 227081 128.638 0.297 6.914 113747 128.604 0.999 6.910 442688 128.598 6.907 6.908 2318174 128.573 7.389 6.908 724363 128.590 0.664 6.910 241304 131.986 0.542 7.161 145979 132.022 3.290 7.163 324912 132.038 7.161 7.164 3807104 132.013 1.532 7.168 316817 131.987 0.670 7.163 355583 131.094 0.296 7.389 125649 131.066 0.998 7.393 185484 131.065 6.908 7.389 550137 131.024 7.386 7.388 3105982 131.041 0.665 7.384 401388 ; 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 'C arom' 1 4525.143 . . . 15317 3 2 H 1 H 2 5998.8 . . . 15317 3 3 H 1 'HC arom' 1 11001.1 . . . 15317 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 2 $VNMR . . 15317 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 15317 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_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 7 _Spectral_peak_list.Experiment_name '4D 1H-13C NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.830 28.674 1.601 4.649 169366 13.830 24.945 1.407 4.644 200595 13.830 17.752 1.442 4.643 118934 13.830 17.717 1.438 4.175 753452 13.830 29.373 3.118 4.593 2006685 13.830 13.830 4.590 4.592 29058396 14.251 29.090 1.978 0.739 143436 14.268 25.478 3.415 0.740 185437 14.269 22.698 3.099 0.727 -42479 14.279 22.634 0.942 0.740 323239 14.283 16.682 2.106 0.737 -137926 14.284 27.031 1.514 0.739 98360 14.288 26.974 1.711 0.733 75215 14.290 25.378 0.618 0.740 183380 14.291 14.299 0.738 0.738 5101792 14.297 18.443 0.776 0.737 384421 14.310 29.394 2.290 0.734 61831 14.321 28.944 0.804 0.737 169512 14.338 14.731 2.328 0.744 -74527 14.354 32.723 1.565 6.778 -63589 14.355 24.218 3.627 0.735 92842 14.357 18.474 2.752 6.773 54580 14.400 14.312 0.737 2.326 -56182 14.410 14.414 0.732 6.788 -56501 14.418 29.479 0.015 6.775 2273348 14.419 28.833 1.566 6.774 -66244 14.419 14.422 -0.224 6.775 10178962 14.419 28.807 2.266 4.186 147471 14.427 18.485 2.907 6.773 50551 14.431 19.008 1.478 3.727 312877 14.433 24.120 0.701 6.768 -67002 14.438 25.365 0.613 6.777 -101787 14.452 14.577 2.428 4.333 -94340 14.453 14.448 4.345 4.333 2036056 14.453 29.474 2.313 4.332 98947 14.455 14.461 -0.231 0.735 -65111 14.457 17.296 2.064 6.771 -59727 14.466 14.424 4.402 6.775 -58730 14.467 29.522 1.779 4.334 80082 14.473 21.012 2.907 6.774 64725 14.481 17.420 2.787 4.406 -460073 14.523 24.448 1.112 6.770 -46467 14.523 22.677 0.760 3.728 113436 14.535 22.797 0.948 6.776 -103201 14.593 14.463 4.329 2.315 -66236 14.597 28.631 3.145 4.473 497432 14.624 22.195 0.952 2.309 -63063 14.633 18.378 0.781 2.312 -36526 14.653 14.651 4.465 4.467 6121164 14.775 26.139 0.658 4.429 29310 14.894 17.345 2.880 4.453 -279975 14.923 26.615 4.203 4.432 161792 14.975 29.265 1.641 4.456 85099 15.019 32.442 1.925 4.454 192571 15.020 18.200 0.776 2.036 -134547 15.072 15.248 4.141 6.779 -84867 15.072 22.902 0.791 4.145 607504 15.075 20.958 1.824 4.146 -174172 15.103 26.865 1.700 4.141 121295 15.108 20.943 1.536 4.144 -221350 15.118 18.449 2.925 4.641 -254111 15.125 15.104 4.637 4.638 1764332 15.138 18.455 2.748 4.639 -174345 15.207 32.806 1.566 4.152 674272 15.220 24.365 1.128 4.150 260908 15.226 15.218 4.144 4.146 16239581 15.260 15.254 3.954 3.955 1545051 15.266 28.884 1.563 4.149 85844 15.270 19.438 3.580 2.305 -222394 15.291 15.257 4.136 2.302 -177936 15.310 15.717 2.185 3.953 -314534 15.310 15.717 2.185 3.953 -314534 15.332 15.298 2.173 4.128 -289056 15.335 29.736 1.946 4.129 426748 15.347 26.828 2.152 3.953 227380 15.358 27.244 1.330 4.189 62435 15.379 17.935 3.903 2.401 -105525 15.387 18.465 2.775 4.180 -308170 15.397 28.937 2.007 2.398 -360012 15.463 32.079 2.124 4.421 195034 15.491 20.511 1.608 4.191 -86615 15.501 24.047 0.706 4.185 275856 15.520 29.552 3.100 4.409 292479 15.524 29.595 3.231 4.407 197600 15.540 20.434 1.308 4.186 -97552 15.554 29.225 2.014 2.304 -1325532 15.584 15.578 2.313 4.421 -94407 15.645 15.641 2.308 2.307 18109418 15.663 29.842 0.828 1.699 -27392 15.682 15.727 4.407 2.293 -52264 15.745 22.501 1.053 4.424 216603 15.756 26.529 1.279 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24.869 24.673 0.984 6.897 -185118 24.871 24.875 0.638 0.638 21704306 24.873 24.975 -0.096 0.638 -58089 24.902 20.971 1.474 0.638 -206158 24.936 24.798 3.807 0.636 90401 24.992 26.802 1.306 0.632 402905 25.015 28.546 0.157 0.638 -80154 25.024 25.029 -0.096 6.898 394583 25.055 27.466 0.379 6.899 135972 25.056 17.345 2.962 3.776 -117572 25.082 31.559 2.166 3.761 196014 25.110 18.935 3.299 3.746 -78816 25.111 23.435 1.115 3.777 446459 25.153 26.876 1.697 0.864 519486 25.159 26.824 0.697 3.362 91890 25.190 24.595 0.986 3.742 244421 25.195 25.188 0.861 0.864 23562526 25.205 25.284 0.651 6.906 -101413 25.237 22.232 0.302 6.895 -56338 25.282 16.993 0.753 3.367 150385 25.293 22.747 0.943 0.620 610557 25.317 14.426 -0.214 0.615 -60284 25.325 17.297 2.053 0.616 56603 25.350 15.550 4.194 0.623 131583 25.352 18.455 2.914 0.617 -41449 25.353 27.128 1.336 0.616 397919 25.360 17.266 0.865 0.870 271256 25.370 20.113 4.200 0.616 203682 25.371 20.514 1.304 0.616 -247328 25.377 20.453 1.614 0.618 -267385 25.386 14.295 0.744 0.616 190979 25.395 32.472 2.147 0.617 156254 25.430 29.432 0.015 0.616 -95910 25.436 17.611 1.780 3.374 -37077 25.453 18.566 2.721 0.626 -43497 25.465 31.941 2.118 3.421 112962 25.544 30.785 1.948 3.453 130464 25.558 18.252 0.789 3.431 81358 25.558 21.280 0.871 3.448 424494 25.568 26.110 0.678 3.182 117853 25.569 31.403 2.204 3.449 128268 25.571 23.401 0.965 3.447 684464 25.592 25.589 3.440 3.440 2409959 25.594 25.598 3.182 3.183 514569 25.598 22.232 0.298 3.180 169203 25.600 18.173 0.786 0.663 279780 25.605 23.508 0.532 3.182 80889 25.611 30.923 2.240 3.180 36704 25.618 23.665 3.554 0.666 46586 25.675 24.614 0.989 3.181 151471 25.780 25.102 -0.126 0.703 -27745 25.888 14.470 3.971 0.774 98553 25.915 19.915 1.921 0.777 -105049 25.925 26.643 1.833 0.777 211347 25.944 19.985 1.397 0.776 -115157 25.949 15.892 1.723 3.437 -77911 25.963 26.540 4.200 3.444 107418 25.965 19.056 3.309 0.674 -30787 25.968 17.011 0.758 0.776 282332 25.972 16.846 3.848 0.777 162566 25.972 25.982 0.773 0.777 6299736 25.989 18.456 2.776 0.776 -195248 25.995 27.466 1.746 0.678 251619 26.008 16.445 3.934 0.872 169694 26.013 19.007 1.485 0.678 161675 26.032 22.057 0.846 0.779 637119 26.066 22.456 0.781 1.994 87289 26.085 22.245 0.295 0.679 460755 26.085 24.832 3.798 0.679 126967 26.090 17.084 1.485 0.778 118305 26.097 25.594 3.189 0.679 215664 26.113 29.876 0.571 0.874 -262606 26.115 26.099 0.681 0.680 14544956 26.132 27.557 0.376 0.680 -170049 26.133 28.546 0.157 0.680 -157855 26.137 25.128 -0.103 0.679 -47886 26.172 17.084 1.481 0.875 93242 26.174 26.595 1.294 0.681 302928 26.178 16.650 3.963 0.680 244057 26.216 22.923 1.516 0.682 340040 26.241 17.143 1.479 0.682 302661 26.452 18.384 0.784 0.693 198908 26.453 24.151 0.858 0.692 889352 26.561 24.689 0.981 1.283 103298 26.578 14.897 4.428 4.207 148191 26.580 26.585 4.204 4.205 1331251 26.580 26.585 4.204 4.205 1331251 26.583 25.997 3.439 4.209 122601 26.592 21.638 1.051 4.207 485683 26.600 18.352 4.650 4.665 56779 26.612 22.681 1.435 4.664 304425 26.616 29.427 3.842 4.660 -105089 26.642 26.648 4.665 4.663 249535 26.642 15.831 3.911 1.304 80299 26.680 21.032 1.466 1.298 -137288 26.702 22.044 0.850 1.841 156554 26.725 25.303 3.366 0.693 152131 26.737 21.582 2.324 0.694 -61930 26.747 22.944 1.516 1.518 120274 26.757 20.967 1.251 1.301 -183269 26.762 26.025 2.113 0.694 110699 26.812 20.340 1.982 1.829 -86639 26.834 26.830 1.822 1.828 598668 26.875 16.532 3.995 1.837 64962 26.877 25.049 0.637 1.312 306585 26.882 20.348 1.590 1.829 -80204 26.931 25.514 0.671 1.824 225649 26.947 23.521 0.533 1.823 197555 26.961 22.749 0.945 1.317 133121 26.991 24.396 0.690 1.324 246840 26.998 22.797 3.102 1.520 -118934 27.003 17.225 4.081 1.528 80746 27.030 18.149 0.779 1.824 119840 27.111 29.998 1.926 1.523 121020 27.114 20.523 1.314 1.334 -165671 27.120 27.114 1.346 1.334 622932 27.126 15.462 4.169 1.345 49510 27.213 19.875 4.186 1.160 91050 27.230 20.382 1.620 1.338 -134330 27.240 17.284 0.859 1.156 121992 27.248 33.397 0.846 1.174 -406617 27.361 17.788 1.787 1.147 -79931 27.394 25.031 0.642 7.377 -116280 27.432 22.880 1.505 7.389 -58458 27.437 24.592 0.996 7.372 -99356 27.459 28.535 0.159 7.378 259319 27.467 27.480 0.382 7.376 796540 27.472 25.015 -0.097 7.377 163178 27.564 22.182 0.300 7.376 -71002 27.919 30.240 3.568 2.081 -72360 27.938 22.204 4.345 2.072 94985 27.964 32.126 1.742 2.064 123209 27.995 20.591 1.051 2.073 78177 28.308 24.998 -0.081 7.158 52846 28.487 23.304 3.097 1.531 -57949 28.498 26.053 0.679 7.158 -153713 28.536 28.540 0.154 7.156 930321 28.557 20.320 1.568 7.157 52856 28.559 28.504 3.375 7.154 -75371 28.559 22.913 1.516 7.157 -155261 28.568 20.213 4.219 7.156 -85725 28.576 23.608 0.529 7.157 -71978 28.585 24.619 0.984 7.150 -58922 28.591 21.604 0.856 1.548 50596 28.606 24.869 1.432 1.568 1169655 28.615 21.592 0.850 1.515 55365 28.674 24.822 3.791 7.161 -67773 28.732 21.080 2.908 1.560 -1045747 28.801 28.793 1.567 1.564 30313336 28.946 17.889 4.025 1.652 146816 29.005 21.013 2.923 1.642 -1590057 29.036 29.065 1.634 7.136 -114154 29.337 15.217 4.159 7.004 -46878 29.356 24.150 1.127 7.010 -43513 29.380 22.804 3.092 7.011 59768 29.441 32.819 1.573 7.011 -66740 29.459 24.104 0.705 7.010 -91156 29.466 18.446 2.925 7.010 228878 29.487 25.330 0.607 7.012 -94352 29.488 29.478 0.015 7.010 5618702 29.493 14.421 -0.224 7.011 1968144 29.495 16.892 0.765 1.129 64303 29.497 25.040 3.354 1.132 32550 29.497 15.141 4.636 7.009 -178135 29.505 17.281 2.050 7.008 -62720 29.510 18.447 2.744 7.010 208280 29.513 23.325 0.968 7.013 -96547 29.571 14.311 0.736 7.009 -41229 29.790 15.029 2.033 0.578 98560 29.801 17.257 4.075 1.952 94798 29.842 20.796 3.768 0.576 -381633 29.846 18.427 2.761 0.576 71030 29.858 26.925 1.013 0.576 -199179 29.864 21.948 0.846 0.577 -370528 29.864 29.867 0.576 0.576 11175231 29.868 18.214 0.776 0.577 -531652 29.869 21.387 0.877 7.010 -35185 29.875 18.994 1.488 0.577 -417047 29.883 27.055 1.650 0.575 -170615 29.963 24.827 4.136 0.579 -61464 29.973 25.615 3.188 0.582 -51891 30.716 25.631 3.160 2.233 27366 30.804 25.623 3.456 1.941 127633 30.811 23.462 0.965 1.951 561671 30.826 21.130 0.861 1.949 532483 30.832 26.091 0.671 2.247 46997 30.841 22.237 0.296 2.236 176536 30.884 24.820 0.634 2.244 88568 31.052 26.214 1.987 2.436 -41383 31.177 26.028 0.673 2.205 54122 31.317 24.612 0.982 2.219 404307 31.317 21.559 0.837 2.219 185733 31.326 20.209 3.533 2.123 126688 31.343 23.527 1.112 2.126 363291 31.359 31.412 2.418 2.417 2415246 31.375 27.986 2.063 2.106 90246 31.375 33.877 0.479 2.213 0 31.424 24.860 4.131 2.099 108246 31.425 31.414 2.214 2.215 2095326 31.440 17.238 2.058 2.414 85810 31.443 21.433 1.060 2.217 384648 31.445 17.775 4.254 2.411 150082 31.468 25.569 3.453 2.216 112794 31.477 18.083 0.802 2.214 77252 31.482 25.055 3.747 2.210 175287 31.500 18.187 0.787 2.112 128430 31.739 24.788 3.773 2.135 133905 31.746 21.477 1.050 1.925 100127 31.879 18.435 4.372 2.531 67934 31.883 24.939 3.605 2.420 60586 31.904 20.748 1.061 2.524 315795 31.926 22.309 1.066 2.429 227496 31.927 25.529 3.420 2.112 100984 31.937 24.069 0.827 2.430 90996 31.991 24.867 1.439 2.043 210027 32.002 21.493 0.885 2.119 913450 32.017 14.671 4.410 2.117 138952 32.031 32.025 2.109 2.110 2813920 32.043 17.771 4.029 1.918 542293 32.068 21.053 2.929 1.902 -161135 32.072 29.106 1.657 1.927 468539 32.074 23.547 3.843 2.094 139866 32.080 21.081 2.919 1.936 -161159 32.104 15.626 4.422 2.129 160109 32.104 18.970 3.733 2.093 106440 32.149 32.146 1.738 2.438 237634 32.159 25.363 1.542 1.941 464906 32.170 22.205 4.335 2.441 183342 32.436 26.562 1.444 2.116 35052 32.498 25.372 0.621 2.127 121642 32.528 20.058 4.199 2.140 166447 32.537 26.217 2.000 2.426 439483 32.538 20.609 4.396 2.420 191915 32.614 32.610 2.003 2.006 15392641 32.617 20.824 0.898 2.023 766787 32.679 20.422 4.136 2.014 221660 33.197 33.207 3.959 3.958 2059410 33.221 17.718 1.352 3.958 -776444 33.357 17.789 1.810 0.831 172474 33.388 27.243 1.138 0.821 -746417 33.394 27.255 1.450 0.819 -378576 33.395 33.381 0.830 0.830 55755676 33.419 19.835 4.187 0.828 -106159 33.473 28.040 2.111 2.405 657876 33.876 28.703 1.564 1.995 82123 33.876 24.823 1.400 1.995 142268 33.877 23.546 1.120 1.993 84087 33.877 20.445 1.056 1.988 89032 33.877 23.589 3.562 0.485 -120529 33.877 25.059 3.743 0.486 -176664 33.877 25.956 3.448 0.486 -98328 33.877 31.392 2.206 0.485 -196333 33.877 29.902 1.716 0.487 -204146 33.877 29.920 0.853 0.485 -224726 33.877 22.032 0.902 0.486 -393366 33.877 24.609 0.982 0.486 -518808 33.877 25.142 0.645 0.488 -257555 33.877 22.233 0.292 0.486 -453708 33.877 18.071 0.806 0.486 -571260 33.877 15.920 1.726 0.486 166984 33.877 33.877 0.483 0.486 8407356 33.877 23.058 0.979 0.481 -324798 33.877 26.268 0.694 0.481 -192684 ; 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 'C aliph' 1 3121.342 . . . 15317 4 2 C 13 'C aliph' 2 3121.342 . . . 15317 4 3 H 1 'HC aliph' 2 8000.00 . . . 15317 4 4 H 1 'HC aliph' 1 4197.27 . . . 15317 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 2 $VNMR . . 15317 4 stop_ save_