data_18469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18469 _Entry.Title ; Solution NMR Structure of apo YdbC from Lactococcus lactis, Northeast Structural Genomics Consortium (NESG) Target KR150 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-16 _Entry.Accession_date 2012-05-16 _Entry.Last_release_date 2012-06-04 _Entry.Original_release_date 2012-06-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Paolo Rossi . . . . 18469 2 Christopher Barbieri . M. . . 18469 3 James Aramini . A. . . 18469 4 Elisabetta Bini . . . . 18469 5 Hsiau-Wei Lee . . . . 18469 6 Haleema Janjua . . . . 18469 7 Colleen Ciccosanti . . . . 18469 8 Huang Wang . . . . 18469 9 Thomas Acton . B. . . 18469 10 Rong Xiao . . . . 18469 11 John Everett . K. . . 18469 12 Gaetano Montelione . T. . . 18469 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:Biology 'Northeast Structural Genomics Consortium' . 18469 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18469 PSI-Biology . 18469 'Protein NMR' . 18469 'Protein Structure Initiative' . 18469 'Structural Genomics' . 18469 'Target KR150' . 18469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18469 spectral_peak_list 1 18469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 18469 '15N chemical shifts' 77 18469 '1H chemical shifts' 538 18469 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-04 2012-05-16 original author . 18469 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18496 'YdbC:dT19G1 complex. NESG Target KR150' 18469 PDB 2LTD 'BMRB Entry Tracking System' 18469 PDB 2LTT . 18469 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18469 _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 apo YdbC from Lactococcus lactis, Northeast Structural Genomics Consortium (NESG) Target KR150 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paolo Rossi . . . . 18469 1 2 Christopher Barbieri . M. . . 18469 1 3 James Aramini . A. . . 18469 1 4 Elisabetta Bini . . . . 18469 1 5 Thomas Acton . B. . . 18469 1 6 Rong Xiao . . . . 18469 1 7 Gaetano Montelione . T. . . 18469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18469 _Assembly.ID 1 _Assembly.Name YdbC _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KR150_1 1 $KR150 A . yes native no no . . . 18469 1 2 KR150_2 1 $KR150 B . yes native no no . . . 18469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KR150 _Entity.Sf_category entity _Entity.Sf_framecode KR150 _Entity.Entry_ID 18469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KR150 _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 ; MADKLKFEIIEELIVLSENA KGWRKELNRVSWNDAEPKYD IRTWSPDHEKMGKGITLSEE EFGVLLKELGNKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'DIMER 2 CHAINS' _Entity.Polymer_author_seq_details . _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9488.850 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18496 . entity_1 . . . . . 92.50 74 100.00 100.00 5.36e-44 . . . . 18469 1 2 no PDB 2LTD . ; Solution Nmr Structure Of Apo Ydbc From Lactococcus Lactis, Northeast Structural Genomics Consortium (nesg) Target Kr150 ; . . . . . 100.00 80 100.00 100.00 5.02e-49 . . . . 18469 1 3 no PDB 2LTT . ; Solution Nmr Structure Of Ydbc:dt19g1 Complex. Northeast Structural Genomics Consortium (nesg) Target Kr150 ; . . . . . 100.00 80 100.00 100.00 5.02e-49 . . . . 18469 1 4 no DBJ BAL50274 . 'hypothetical protein lilo_0272 [Lactococcus lactis subsp. lactis IO-1]' . . . . . 90.00 72 98.61 100.00 1.22e-42 . . . . 18469 1 5 no DBJ GAM81529 . 'uncharacterized protein conserved in bacteria [Lactococcus lactis subsp. lactis]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 6 no EMBL CAL96933 . 'conserved hypothetical protein [Lactococcus lactis subsp. cremoris MG1363]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 7 no EMBL CDG04366 . 'Putative uncharacterized protein [Lactococcus lactis subsp. lactis A12]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 8 no EMBL CDI47747 . ; bacterial seryl-tRNA synthetase related [Lactococcus lactis subsp. lactis Dephy 1] ; . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 9 no GB AAK04411 . 'hypothetical protein L114363 [Lactococcus lactis subsp. lactis Il1403]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 10 no GB ABJ71956 . 'hypothetical protein LACR_0349 [Lactococcus lactis subsp. cremoris SK11]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 11 no GB ADA64134 . 'Hypothetical protein LLKF_0364 [Lactococcus lactis subsp. lactis KF147]' . . . . . 90.00 72 98.61 100.00 3.00e-42 . . . . 18469 1 12 no GB ADJ59348 . 'hypothetical protein LLNZ_01720 [Lactococcus lactis subsp. cremoris NZ9000]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 13 no GB ADZ62963 . 'conserved hypothetical protein [Lactococcus lactis subsp. lactis CV56]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 14 no REF NP_266469 . 'hypothetical protein L114363 [Lactococcus lactis subsp. lactis Il1403]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 15 no REF WP_003131683 . 'hypothetical protein [Lactococcus lactis]' . . . . . 90.00 72 100.00 100.00 7.71e-43 . . . . 18469 1 16 no REF WP_012897170 . 'hypothetical protein [Lactococcus lactis]' . . . . . 90.00 72 98.61 100.00 3.00e-42 . . . . 18469 1 17 no REF WP_015425778 . 'hypothetical protein [Lactococcus lactis]' . . . . . 90.00 72 98.61 100.00 1.22e-42 . . . . 18469 1 18 no REF WP_046124177 . 'hypothetical protein [Lactococcus lactis]' . . . . . 90.00 72 98.61 98.61 7.82e-42 . . . . 18469 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 . 18469 1 2 . ALA . 18469 1 3 . ASP . 18469 1 4 . LYS . 18469 1 5 . LEU . 18469 1 6 . LYS . 18469 1 7 . PHE . 18469 1 8 . GLU . 18469 1 9 . ILE . 18469 1 10 . ILE . 18469 1 11 . GLU . 18469 1 12 . GLU . 18469 1 13 . LEU . 18469 1 14 . ILE . 18469 1 15 . VAL . 18469 1 16 . LEU . 18469 1 17 . SER . 18469 1 18 . GLU . 18469 1 19 . ASN . 18469 1 20 . ALA . 18469 1 21 . LYS . 18469 1 22 . GLY . 18469 1 23 . TRP . 18469 1 24 . ARG . 18469 1 25 . LYS . 18469 1 26 . GLU . 18469 1 27 . LEU . 18469 1 28 . ASN . 18469 1 29 . ARG . 18469 1 30 . VAL . 18469 1 31 . SER . 18469 1 32 . TRP . 18469 1 33 . ASN . 18469 1 34 . ASP . 18469 1 35 . ALA . 18469 1 36 . GLU . 18469 1 37 . PRO . 18469 1 38 . LYS . 18469 1 39 . TYR . 18469 1 40 . ASP . 18469 1 41 . ILE . 18469 1 42 . ARG . 18469 1 43 . THR . 18469 1 44 . TRP . 18469 1 45 . SER . 18469 1 46 . PRO . 18469 1 47 . ASP . 18469 1 48 . HIS . 18469 1 49 . GLU . 18469 1 50 . LYS . 18469 1 51 . MET . 18469 1 52 . GLY . 18469 1 53 . LYS . 18469 1 54 . GLY . 18469 1 55 . ILE . 18469 1 56 . THR . 18469 1 57 . LEU . 18469 1 58 . SER . 18469 1 59 . GLU . 18469 1 60 . GLU . 18469 1 61 . GLU . 18469 1 62 . PHE . 18469 1 63 . GLY . 18469 1 64 . VAL . 18469 1 65 . LEU . 18469 1 66 . LEU . 18469 1 67 . LYS . 18469 1 68 . GLU . 18469 1 69 . LEU . 18469 1 70 . GLY . 18469 1 71 . ASN . 18469 1 72 . LYS . 18469 1 73 . LEU . 18469 1 74 . GLU . 18469 1 75 . HIS . 18469 1 76 . HIS . 18469 1 77 . HIS . 18469 1 78 . HIS . 18469 1 79 . HIS . 18469 1 80 . HIS . 18469 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 18469 1 . ALA 2 2 18469 1 . ASP 3 3 18469 1 . LYS 4 4 18469 1 . LEU 5 5 18469 1 . LYS 6 6 18469 1 . PHE 7 7 18469 1 . GLU 8 8 18469 1 . ILE 9 9 18469 1 . ILE 10 10 18469 1 . GLU 11 11 18469 1 . GLU 12 12 18469 1 . LEU 13 13 18469 1 . ILE 14 14 18469 1 . VAL 15 15 18469 1 . LEU 16 16 18469 1 . SER 17 17 18469 1 . GLU 18 18 18469 1 . ASN 19 19 18469 1 . ALA 20 20 18469 1 . LYS 21 21 18469 1 . GLY 22 22 18469 1 . TRP 23 23 18469 1 . ARG 24 24 18469 1 . LYS 25 25 18469 1 . GLU 26 26 18469 1 . LEU 27 27 18469 1 . ASN 28 28 18469 1 . ARG 29 29 18469 1 . VAL 30 30 18469 1 . SER 31 31 18469 1 . TRP 32 32 18469 1 . ASN 33 33 18469 1 . ASP 34 34 18469 1 . ALA 35 35 18469 1 . GLU 36 36 18469 1 . PRO 37 37 18469 1 . LYS 38 38 18469 1 . TYR 39 39 18469 1 . ASP 40 40 18469 1 . ILE 41 41 18469 1 . ARG 42 42 18469 1 . THR 43 43 18469 1 . TRP 44 44 18469 1 . SER 45 45 18469 1 . PRO 46 46 18469 1 . ASP 47 47 18469 1 . HIS 48 48 18469 1 . GLU 49 49 18469 1 . LYS 50 50 18469 1 . MET 51 51 18469 1 . GLY 52 52 18469 1 . LYS 53 53 18469 1 . GLY 54 54 18469 1 . ILE 55 55 18469 1 . THR 56 56 18469 1 . LEU 57 57 18469 1 . SER 58 58 18469 1 . GLU 59 59 18469 1 . GLU 60 60 18469 1 . GLU 61 61 18469 1 . PHE 62 62 18469 1 . GLY 63 63 18469 1 . VAL 64 64 18469 1 . LEU 65 65 18469 1 . LEU 66 66 18469 1 . LYS 67 67 18469 1 . GLU 68 68 18469 1 . LEU 69 69 18469 1 . GLY 70 70 18469 1 . ASN 71 71 18469 1 . LYS 72 72 18469 1 . LEU 73 73 18469 1 . GLU 74 74 18469 1 . HIS 75 75 18469 1 . HIS 76 76 18469 1 . HIS 77 77 18469 1 . HIS 78 78 18469 1 . HIS 79 79 18469 1 . HIS 80 80 18469 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 18469 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KR150 . 1358 organism . 'Lactococcus lactis' 'Lactococcus lactis' . . Bacteria . Lactococcus lactis . . . . . . . . . . . LL0313 . 18469 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 18469 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KR150 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . pET21_NESG . . . 18469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18469 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM KR150.020, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KR150.020 '[U-100% 13C; U-100% 15N]' . . 1 $KR150 . . 1.1 . . mM . . . . 18469 1 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18469 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18469 1 4 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18469 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18469 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18469 1 7 TRIS-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 18469 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18469 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.697 mM KR150.020, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KR150.020 '[U-5% 13C; U-100% 15N]' . . 1 $KR150 . . 0.697 . . mM . . . . 18469 2 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18469 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18469 2 4 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18469 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18469 2 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18469 2 7 TRIS-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 18469 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18469 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM 1:1 natural abundance:[U-15N,13C] PST ID KR150.019:KR150.020, 90% H2O/10% D2O for X-filtered ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KR150.019 'natural abundance' . . 1 $KR150 . . 1.2 . . mM . . . . 18469 3 2 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18469 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18469 3 4 NaCL 'natural abundance' . . . . . . 100 . . mM . . . . 18469 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18469 3 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 18469 3 7 TRIS-HCl 'natural abundance' . . . . . . 10 . . mM . . . . 18469 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18469 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 18469 1 pressure 1 . atm 18469 1 temperature 298 . K 18469 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18469 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18469 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18469 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18469 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18469 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18469 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18469 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18469 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18469 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18469 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18469 _Software.ID 5 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18469 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18469 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18469 _Software.ID 6 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18469 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18469 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18469 _Software.ID 7 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18469 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18469 7 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18469 _Software.ID 8 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18469 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18469 8 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18469 _Software.ID 9 _Software.Type . _Software.Name PALES _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18469 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18469 9 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18469 _Software.ID 10 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18469 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18469 10 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 18469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18469 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18469 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18469 1 2 spectrometer_2 Varian INOVA . 600 . . . 18469 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 18469 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 2 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 7 '3D 1H-13C NOESY aliphatic' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 9 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 10 3D-X-filt-13C-editedNOESY yes . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18469 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 12 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 13 '3D HN(CA)CO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 15 '3D CCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 16 '1H-15N Hetnoe' yes . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 17 '1D T1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 18 '1D T2(cpmg)' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18469 1 19 'j-mod HSQC (rdc)' yes . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18469 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 18469 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/hsqc/ ; . . . . . . . 18469 1 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/hsqc/ ; . . . . . . . 18469 1 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/hsqc/ ; . . . . . . . 18469 1 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/hsqc/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 2 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_hsqc/ ; . . . . . . . 18469 2 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_hsqc/ ; . . . . . . . 18469 2 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_hsqc/ ; . . . . . . . 18469 2 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_hsqc/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 3 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCO/ ; . . . . . . . 18469 3 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCO/ ; . . . . . . . 18469 3 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCO/ ; . . . . . . . 18469 3 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCO/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 4 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/CBCAcoNH/ ; . . . . . . . 18469 4 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/CBCAcoNH/ ; . . . . . . . 18469 4 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/CBCAcoNH/ ; . . . . . . . 18469 4 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/CBCAcoNH/ ; . . . . . . . 18469 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 18469 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCACB/ ; . . . . . . . 18469 5 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCACB/ ; . . . . . . . 18469 5 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCACB/ ; . . . . . . . 18469 5 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNCACB/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-13C arom 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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/aro_noesy/ ; . . . . . . . 18469 6 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/aro_noesy/ ; . . . . . . . 18469 6 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/aro_noesy/ ; . . . . . . . 18469 6 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/aro_noesy/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C NOESY aliphatic' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_noesy/ ; . . . . . . . 18469 7 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_noesy/ ; . . . . . . . 18469 7 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_noesy/ ; . . . . . . . 18469 7 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/ali_noesy/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 8 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/n_noesy/ ; . . . . . . . 18469 8 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/n_noesy/ ; . . . . . . . 18469 8 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/n_noesy/ ; . . . . . . . 18469 8 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/n_noesy/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-X-filt-13C-editedNOESY _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.010_xfilt_test3_092210.fid/ ; . . . . . . . 18469 9 fid 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.010_xfilt_test3_092210.fid/ ; . . . . . . . 18469 9 procpar 'processing parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.010_xfilt_test3_092210.fid/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 10 _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HBHAcoNH/ ; . . . . . . . 18469 10 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HBHAcoNH/ ; . . . . . . . 18469 10 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HBHAcoNH/ ; . . . . . . . 18469 10 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HBHAcoNH/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HN(CA)CO' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNcaCO/ ; . . . . . . . 18469 11 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNcaCO/ ; . . . . . . . 18469 11 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNcaCO/ ; . . . . . . . 18469 11 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/HNcaCO/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D CCH-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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/cch_tocsy/ ; . . . . . . . 18469 12 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/cch_tocsy/ ; . . . . . . . 18469 12 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/cch_tocsy/ ; . . . . . . . 18469 12 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.003_090710_NC/cch_tocsy/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '1H-15N Hetnoe' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HETNOE_intlvd/ ; . . . . . . . 18469 13 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HETNOE_intlvd/ ; . . . . . . . 18469 13 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HETNOE_intlvd/ ; . . . . . . . 18469 13 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HETNOE_intlvd/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '1D T1' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T1_pseudo2D/ ; . . . . . . . 18469 14 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T1_pseudo2D/ ; . . . . . . . 18469 14 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T1_pseudo2D/ ; . . . . . . . 18469 14 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T1_pseudo2D/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1D T2(cpmg)' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T2_pseudo2D/ ; . . . . . . . 18469 15 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T2_pseudo2D/ ; . . . . . . . 18469 15 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T2_pseudo2D/ ; . . . . . . . 18469 15 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/T2_pseudo2D/ ; . . . . . . . 18469 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 18469 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 'j-mod HSQC (rdc)' _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 . 'NMR Experimental Directory' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HSQC/ ; . . . . . . . 18469 16 acqu 'acquisition parameters' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HSQC/ ; . . . . . . . 18469 16 pulseprogram 'pulse program' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HSQC/ ; . . . . . . . 18469 16 ser 'raw spectral data' ; http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18469/timedomain_data/kr150_apo_data/KR150.005_092310_NC5/HSQC/ ; . . . . . . . 18469 16 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 18469 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18469 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18469 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18469 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 18469 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18469 1 2 '2D 1H-13C HSQC' . . . 18469 1 3 '3D HNCO' . . . 18469 1 13 '3D HN(CA)CO' . . . 18469 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.Ambiguity_set_ID _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 ALA HA H 1 4.072 0.02 . 1 . . . . . 2 ALA HA . 18469 1 2 . 1 1 2 2 ALA HB1 H 1 1.511 0.02 . 1 . . . . . 2 ALA HB . 18469 1 3 . 1 1 2 2 ALA HB2 H 1 1.511 0.02 . 1 . . . . . 2 ALA HB . 18469 1 4 . 1 1 2 2 ALA HB3 H 1 1.511 0.02 . 1 . . . . . 2 ALA HB . 18469 1 5 . 1 1 2 2 ALA CA C 13 51.843 0.2 . 1 . . . . . 2 ALA CA . 18469 1 6 . 1 1 2 2 ALA CB C 13 19.524 0.2 . 1 . . . . . 2 ALA CB . 18469 1 7 . 1 1 3 3 ASP HA H 1 4.632 0.02 . 1 . . . . . 3 ASP HA . 18469 1 8 . 1 1 3 3 ASP HB2 H 1 2.693 0.02 . 2 . . . . . 3 ASP HB2 . 18469 1 9 . 1 1 3 3 ASP HB3 H 1 2.546 0.02 . 2 . . . . . 3 ASP HB3 . 18469 1 10 . 1 1 3 3 ASP C C 13 175.822 0.2 . 1 . . . . . 3 ASP C . 18469 1 11 . 1 1 3 3 ASP CA C 13 54.462 0.2 . 1 . . . . . 3 ASP CA . 18469 1 12 . 1 1 3 3 ASP CB C 13 41.390 0.2 . 1 . . . . . 3 ASP CB . 18469 1 13 . 1 1 4 4 LYS H H 1 8.400 0.02 . 1 . . . . . 4 LYS H . 18469 1 14 . 1 1 4 4 LYS HA H 1 4.341 0.02 . 1 . . . . . 4 LYS HA . 18469 1 15 . 1 1 4 4 LYS HB2 H 1 1.837 0.02 . 2 . . . . . 4 LYS HB2 . 18469 1 16 . 1 1 4 4 LYS HB3 H 1 1.769 0.02 . 2 . . . . . 4 LYS HB3 . 18469 1 17 . 1 1 4 4 LYS HG2 H 1 1.448 0.02 . 2 . . . . . 4 LYS HG2 . 18469 1 18 . 1 1 4 4 LYS HG3 H 1 1.448 0.02 . 2 . . . . . 4 LYS HG3 . 18469 1 19 . 1 1 4 4 LYS HD2 H 1 1.695 0.02 . 2 . . . . . 4 LYS HD2 . 18469 1 20 . 1 1 4 4 LYS HD3 H 1 1.695 0.02 . 2 . . . . . 4 LYS HD3 . 18469 1 21 . 1 1 4 4 LYS HE2 H 1 3.010 0.02 . 2 . . . . . 4 LYS HE2 . 18469 1 22 . 1 1 4 4 LYS HE3 H 1 3.010 0.02 . 2 . . . . . 4 LYS HE3 . 18469 1 23 . 1 1 4 4 LYS C C 13 175.897 0.2 . 1 . . . . . 4 LYS C . 18469 1 24 . 1 1 4 4 LYS CA C 13 56.252 0.2 . 1 . . . . . 4 LYS CA . 18469 1 25 . 1 1 4 4 LYS CB C 13 33.221 0.2 . 1 . . . . . 4 LYS CB . 18469 1 26 . 1 1 4 4 LYS CG C 13 24.704 0.2 . 1 . . . . . 4 LYS CG . 18469 1 27 . 1 1 4 4 LYS CD C 13 29.174 0.2 . 1 . . . . . 4 LYS CD . 18469 1 28 . 1 1 4 4 LYS CE C 13 42.316 0.2 . 1 . . . . . 4 LYS CE . 18469 1 29 . 1 1 4 4 LYS N N 15 121.976 0.2 . 1 . . . . . 4 LYS N . 18469 1 30 . 1 1 5 5 LEU H H 1 8.445 0.02 . 1 . . . . . 5 LEU H . 18469 1 31 . 1 1 5 5 LEU HA H 1 4.576 0.02 . 1 . . . . . 5 LEU HA . 18469 1 32 . 1 1 5 5 LEU HB2 H 1 1.800 0.02 . 2 . . . . . 5 LEU HB2 . 18469 1 33 . 1 1 5 5 LEU HB3 H 1 1.761 0.02 . 2 . . . . . 5 LEU HB3 . 18469 1 34 . 1 1 5 5 LEU HG H 1 1.759 0.02 . 1 . . . . . 5 LEU HG . 18469 1 35 . 1 1 5 5 LEU HD11 H 1 1.012 0.02 . 1 . . . . . 5 LEU HD1 . 18469 1 36 . 1 1 5 5 LEU HD12 H 1 1.012 0.02 . 1 . . . . . 5 LEU HD1 . 18469 1 37 . 1 1 5 5 LEU HD13 H 1 1.012 0.02 . 1 . . . . . 5 LEU HD1 . 18469 1 38 . 1 1 5 5 LEU HD21 H 1 0.944 0.02 . 1 . . . . . 5 LEU HD2 . 18469 1 39 . 1 1 5 5 LEU HD22 H 1 0.944 0.02 . 1 . . . . . 5 LEU HD2 . 18469 1 40 . 1 1 5 5 LEU HD23 H 1 0.944 0.02 . 1 . . . . . 5 LEU HD2 . 18469 1 41 . 1 1 5 5 LEU C C 13 175.941 0.2 . 1 . . . . . 5 LEU C . 18469 1 42 . 1 1 5 5 LEU CA C 13 55.267 0.2 . 1 . . . . . 5 LEU CA . 18469 1 43 . 1 1 5 5 LEU CB C 13 43.109 0.2 . 1 . . . . . 5 LEU CB . 18469 1 44 . 1 1 5 5 LEU CG C 13 27.361 0.2 . 1 . . . . . 5 LEU CG . 18469 1 45 . 1 1 5 5 LEU CD1 C 13 24.924 0.2 . 1 . . . . . 5 LEU CD1 . 18469 1 46 . 1 1 5 5 LEU CD2 C 13 24.683 0.2 . 1 . . . . . 5 LEU CD2 . 18469 1 47 . 1 1 5 5 LEU N N 15 125.323 0.2 . 1 . . . . . 5 LEU N . 18469 1 48 . 1 1 6 6 LYS H H 1 8.499 0.02 . 1 . . . . . 6 LYS H . 18469 1 49 . 1 1 6 6 LYS HA H 1 4.529 0.02 . 1 . . . . . 6 LYS HA . 18469 1 50 . 1 1 6 6 LYS HB2 H 1 1.845 0.02 . 2 . . . . . 6 LYS HB2 . 18469 1 51 . 1 1 6 6 LYS HB3 H 1 1.780 0.02 . 2 . . . . . 6 LYS HB3 . 18469 1 52 . 1 1 6 6 LYS HG2 H 1 1.366 0.02 . 2 . . . . . 6 LYS HG2 . 18469 1 53 . 1 1 6 6 LYS HG3 H 1 1.366 0.02 . 2 . . . . . 6 LYS HG3 . 18469 1 54 . 1 1 6 6 LYS HD2 H 1 1.595 0.02 . 2 . . . . . 6 LYS HD2 . 18469 1 55 . 1 1 6 6 LYS HD3 H 1 1.595 0.02 . 2 . . . . . 6 LYS HD3 . 18469 1 56 . 1 1 6 6 LYS HE2 H 1 2.875 0.02 . 2 . . . . . 6 LYS HE2 . 18469 1 57 . 1 1 6 6 LYS HE3 H 1 2.875 0.02 . 2 . . . . . 6 LYS HE3 . 18469 1 58 . 1 1 6 6 LYS C C 13 174.771 0.2 . 1 . . . . . 6 LYS C . 18469 1 59 . 1 1 6 6 LYS CA C 13 55.842 0.2 . 1 . . . . . 6 LYS CA . 18469 1 60 . 1 1 6 6 LYS CB C 13 34.474 0.2 . 1 . . . . . 6 LYS CB . 18469 1 61 . 1 1 6 6 LYS CG C 13 24.713 0.2 . 1 . . . . . 6 LYS CG . 18469 1 62 . 1 1 6 6 LYS CD C 13 29.296 0.2 . 1 . . . . . 6 LYS CD . 18469 1 63 . 1 1 6 6 LYS CE C 13 42.171 0.2 . 1 . . . . . 6 LYS CE . 18469 1 64 . 1 1 6 6 LYS N N 15 125.429 0.2 . 1 . . . . . 6 LYS N . 18469 1 65 . 1 1 7 7 PHE H H 1 7.867 0.02 . 1 . . . . . 7 PHE H . 18469 1 66 . 1 1 7 7 PHE HA H 1 5.359 0.02 . 1 . . . . . 7 PHE HA . 18469 1 67 . 1 1 7 7 PHE HB2 H 1 1.694 0.02 . 2 . . . . . 7 PHE HB2 . 18469 1 68 . 1 1 7 7 PHE HB3 H 1 2.628 0.02 . 2 . . . . . 7 PHE HB3 . 18469 1 69 . 1 1 7 7 PHE HD1 H 1 6.710 0.02 . 3 . . . . . 7 PHE HD1 . 18469 1 70 . 1 1 7 7 PHE HD2 H 1 6.710 0.02 . 3 . . . . . 7 PHE HD2 . 18469 1 71 . 1 1 7 7 PHE HE1 H 1 7.327 0.02 . 3 . . . . . 7 PHE HE1 . 18469 1 72 . 1 1 7 7 PHE HE2 H 1 7.327 0.02 . 3 . . . . . 7 PHE HE2 . 18469 1 73 . 1 1 7 7 PHE HZ H 1 7.617 0.02 . 1 . . . . . 7 PHE HZ . 18469 1 74 . 1 1 7 7 PHE C C 13 173.561 0.2 . 1 . . . . . 7 PHE C . 18469 1 75 . 1 1 7 7 PHE CA C 13 55.601 0.2 . 1 . . . . . 7 PHE CA . 18469 1 76 . 1 1 7 7 PHE CB C 13 41.880 0.2 . 1 . . . . . 7 PHE CB . 18469 1 77 . 1 1 7 7 PHE CD1 C 13 131.686 0.2 . 3 . . . . . 7 PHE CD1 . 18469 1 78 . 1 1 7 7 PHE CD2 C 13 131.686 0.2 . 3 . . . . . 7 PHE CD2 . 18469 1 79 . 1 1 7 7 PHE CE1 C 13 131.788 0.2 . 3 . . . . . 7 PHE CE1 . 18469 1 80 . 1 1 7 7 PHE CE2 C 13 131.788 0.2 . 3 . . . . . 7 PHE CE2 . 18469 1 81 . 1 1 7 7 PHE CZ C 13 130.487 0.2 . 1 . . . . . 7 PHE CZ . 18469 1 82 . 1 1 7 7 PHE N N 15 120.590 0.2 . 1 . . . . . 7 PHE N . 18469 1 83 . 1 1 8 8 GLU H H 1 8.142 0.02 . 1 . . . . . 8 GLU H . 18469 1 84 . 1 1 8 8 GLU HA H 1 4.183 0.02 . 1 . . . . . 8 GLU HA . 18469 1 85 . 1 1 8 8 GLU HB2 H 1 1.687 0.02 . 2 . . . . . 8 GLU HB2 . 18469 1 86 . 1 1 8 8 GLU HB3 H 1 1.672 0.02 . 2 . . . . . 8 GLU HB3 . 18469 1 87 . 1 1 8 8 GLU HG2 H 1 2.019 0.02 . 2 . . . . . 8 GLU HG2 . 18469 1 88 . 1 1 8 8 GLU HG3 H 1 1.793 0.02 . 2 . . . . . 8 GLU HG3 . 18469 1 89 . 1 1 8 8 GLU C C 13 175.003 0.2 . 1 . . . . . 8 GLU C . 18469 1 90 . 1 1 8 8 GLU CA C 13 55.083 0.2 . 1 . . . . . 8 GLU CA . 18469 1 91 . 1 1 8 8 GLU CB C 13 33.572 0.2 . 1 . . . . . 8 GLU CB . 18469 1 92 . 1 1 8 8 GLU CG C 13 35.771 0.2 . 1 . . . . . 8 GLU CG . 18469 1 93 . 1 1 8 8 GLU N N 15 118.936 0.2 . 1 . . . . . 8 GLU N . 18469 1 94 . 1 1 9 9 ILE H H 1 9.220 0.02 . 1 . . . . . 9 ILE H . 18469 1 95 . 1 1 9 9 ILE HA H 1 3.701 0.02 . 1 . . . . . 9 ILE HA . 18469 1 96 . 1 1 9 9 ILE HB H 1 1.519 0.02 . 1 . . . . . 9 ILE HB . 18469 1 97 . 1 1 9 9 ILE HG12 H 1 1.074 0.02 . 2 . . . . . 9 ILE HG12 . 18469 1 98 . 1 1 9 9 ILE HG13 H 1 0.398 0.02 . 2 . . . . . 9 ILE HG13 . 18469 1 99 . 1 1 9 9 ILE HG21 H 1 0.246 0.02 . 1 . . . . . 9 ILE HG2 . 18469 1 100 . 1 1 9 9 ILE HG22 H 1 0.246 0.02 . 1 . . . . . 9 ILE HG2 . 18469 1 101 . 1 1 9 9 ILE HG23 H 1 0.246 0.02 . 1 . . . . . 9 ILE HG2 . 18469 1 102 . 1 1 9 9 ILE HD11 H 1 -0.461 0.02 . 1 . . . . . 9 ILE HD1 . 18469 1 103 . 1 1 9 9 ILE HD12 H 1 -0.461 0.02 . 1 . . . . . 9 ILE HD1 . 18469 1 104 . 1 1 9 9 ILE HD13 H 1 -0.461 0.02 . 1 . . . . . 9 ILE HD1 . 18469 1 105 . 1 1 9 9 ILE C C 13 174.878 0.2 . 1 . . . . . 9 ILE C . 18469 1 106 . 1 1 9 9 ILE CA C 13 62.325 0.2 . 1 . . . . . 9 ILE CA . 18469 1 107 . 1 1 9 9 ILE CB C 13 35.932 0.2 . 1 . . . . . 9 ILE CB . 18469 1 108 . 1 1 9 9 ILE CG1 C 13 27.861 0.2 . 1 . . . . . 9 ILE CG1 . 18469 1 109 . 1 1 9 9 ILE CG2 C 13 17.180 0.2 . 1 . . . . . 9 ILE CG2 . 18469 1 110 . 1 1 9 9 ILE CD1 C 13 11.636 0.2 . 1 . . . . . 9 ILE CD1 . 18469 1 111 . 1 1 9 9 ILE N N 15 127.827 0.2 . 1 . . . . . 9 ILE N . 18469 1 112 . 1 1 10 10 ILE H H 1 8.357 0.02 . 1 . . . . . 10 ILE H . 18469 1 113 . 1 1 10 10 ILE HA H 1 3.876 0.02 . 1 . . . . . 10 ILE HA . 18469 1 114 . 1 1 10 10 ILE HB H 1 1.435 0.02 . 1 . . . . . 10 ILE HB . 18469 1 115 . 1 1 10 10 ILE HG12 H 1 1.296 0.02 . 2 . . . . . 10 ILE HG12 . 18469 1 116 . 1 1 10 10 ILE HG13 H 1 1.066 0.02 . 2 . . . . . 10 ILE HG13 . 18469 1 117 . 1 1 10 10 ILE HG21 H 1 0.761 0.02 . 1 . . . . . 10 ILE HG2 . 18469 1 118 . 1 1 10 10 ILE HG22 H 1 0.761 0.02 . 1 . . . . . 10 ILE HG2 . 18469 1 119 . 1 1 10 10 ILE HG23 H 1 0.761 0.02 . 1 . . . . . 10 ILE HG2 . 18469 1 120 . 1 1 10 10 ILE HD11 H 1 0.546 0.02 . 1 . . . . . 10 ILE HD1 . 18469 1 121 . 1 1 10 10 ILE HD12 H 1 0.546 0.02 . 1 . . . . . 10 ILE HD1 . 18469 1 122 . 1 1 10 10 ILE HD13 H 1 0.546 0.02 . 1 . . . . . 10 ILE HD1 . 18469 1 123 . 1 1 10 10 ILE C C 13 176.158 0.2 . 1 . . . . . 10 ILE C . 18469 1 124 . 1 1 10 10 ILE CA C 13 60.263 0.2 . 1 . . . . . 10 ILE CA . 18469 1 125 . 1 1 10 10 ILE CB C 13 37.333 0.2 . 1 . . . . . 10 ILE CB . 18469 1 126 . 1 1 10 10 ILE CG1 C 13 27.326 0.2 . 1 . . . . . 10 ILE CG1 . 18469 1 127 . 1 1 10 10 ILE CG2 C 13 17.082 0.2 . 1 . . . . . 10 ILE CG2 . 18469 1 128 . 1 1 10 10 ILE CD1 C 13 9.677 0.2 . 1 . . . . . 10 ILE CD1 . 18469 1 129 . 1 1 10 10 ILE N N 15 130.913 0.2 . 1 . . . . . 10 ILE N . 18469 1 130 . 1 1 11 11 GLU H H 1 7.523 0.02 . 1 . . . . . 11 GLU H . 18469 1 131 . 1 1 11 11 GLU HA H 1 4.315 0.02 . 1 . . . . . 11 GLU HA . 18469 1 132 . 1 1 11 11 GLU HB2 H 1 1.772 0.02 . 2 . . . . . 11 GLU HB2 . 18469 1 133 . 1 1 11 11 GLU HB3 H 1 1.639 0.02 . 2 . . . . . 11 GLU HB3 . 18469 1 134 . 1 1 11 11 GLU HG2 H 1 2.206 0.02 . 2 . . . . . 11 GLU HG2 . 18469 1 135 . 1 1 11 11 GLU HG3 H 1 1.969 0.02 . 2 . . . . . 11 GLU HG3 . 18469 1 136 . 1 1 11 11 GLU C C 13 174.194 0.2 . 1 . . . . . 11 GLU C . 18469 1 137 . 1 1 11 11 GLU CA C 13 55.752 0.2 . 1 . . . . . 11 GLU CA . 18469 1 138 . 1 1 11 11 GLU CB C 13 34.334 0.2 . 1 . . . . . 11 GLU CB . 18469 1 139 . 1 1 11 11 GLU CG C 13 36.056 0.2 . 1 . . . . . 11 GLU CG . 18469 1 140 . 1 1 11 11 GLU N N 15 117.680 0.2 . 1 . . . . . 11 GLU N . 18469 1 141 . 1 1 12 12 GLU H H 1 8.792 0.02 . 1 . . . . . 12 GLU H . 18469 1 142 . 1 1 12 12 GLU HA H 1 5.173 0.02 . 1 . . . . . 12 GLU HA . 18469 1 143 . 1 1 12 12 GLU HB2 H 1 1.904 0.02 . 2 . . . . . 12 GLU HB2 . 18469 1 144 . 1 1 12 12 GLU HB3 H 1 1.716 0.02 . 2 . . . . . 12 GLU HB3 . 18469 1 145 . 1 1 12 12 GLU HG2 H 1 1.813 0.02 . 2 . . . . . 12 GLU HG2 . 18469 1 146 . 1 1 12 12 GLU HG3 H 1 1.699 0.02 . 2 . . . . . 12 GLU HG3 . 18469 1 147 . 1 1 12 12 GLU C C 13 176.752 0.2 . 1 . . . . . 12 GLU C . 18469 1 148 . 1 1 12 12 GLU CA C 13 54.887 0.2 . 1 . . . . . 12 GLU CA . 18469 1 149 . 1 1 12 12 GLU CB C 13 30.311 0.2 . 1 . . . . . 12 GLU CB . 18469 1 150 . 1 1 12 12 GLU CG C 13 36.320 0.2 . 1 . . . . . 12 GLU CG . 18469 1 151 . 1 1 12 12 GLU N N 15 128.850 0.2 . 1 . . . . . 12 GLU N . 18469 1 152 . 1 1 13 13 LEU H H 1 8.059 0.02 . 1 . . . . . 13 LEU H . 18469 1 153 . 1 1 13 13 LEU HA H 1 4.823 0.02 . 1 . . . . . 13 LEU HA . 18469 1 154 . 1 1 13 13 LEU HB2 H 1 1.955 0.02 . 2 . . . . . 13 LEU HB2 . 18469 1 155 . 1 1 13 13 LEU HB3 H 1 1.320 0.02 . 2 . . . . . 13 LEU HB3 . 18469 1 156 . 1 1 13 13 LEU HG H 1 1.475 0.02 . 1 . . . . . 13 LEU HG . 18469 1 157 . 1 1 13 13 LEU HD11 H 1 0.759 0.02 . 1 . . . . . 13 LEU HD1 . 18469 1 158 . 1 1 13 13 LEU HD12 H 1 0.759 0.02 . 1 . . . . . 13 LEU HD1 . 18469 1 159 . 1 1 13 13 LEU HD13 H 1 0.759 0.02 . 1 . . . . . 13 LEU HD1 . 18469 1 160 . 1 1 13 13 LEU HD21 H 1 0.786 0.02 . 1 . . . . . 13 LEU HD2 . 18469 1 161 . 1 1 13 13 LEU HD22 H 1 0.786 0.02 . 1 . . . . . 13 LEU HD2 . 18469 1 162 . 1 1 13 13 LEU HD23 H 1 0.786 0.02 . 1 . . . . . 13 LEU HD2 . 18469 1 163 . 1 1 13 13 LEU C C 13 176.060 0.2 . 1 . . . . . 13 LEU C . 18469 1 164 . 1 1 13 13 LEU CA C 13 57.385 0.2 . 1 . . . . . 13 LEU CA . 18469 1 165 . 1 1 13 13 LEU CB C 13 42.317 0.2 . 1 . . . . . 13 LEU CB . 18469 1 166 . 1 1 13 13 LEU CG C 13 28.155 0.2 . 1 . . . . . 13 LEU CG . 18469 1 167 . 1 1 13 13 LEU CD1 C 13 25.683 0.2 . 1 . . . . . 13 LEU CD1 . 18469 1 168 . 1 1 13 13 LEU CD2 C 13 24.317 0.2 . 1 . . . . . 13 LEU CD2 . 18469 1 169 . 1 1 13 13 LEU N N 15 122.697 0.2 . 1 . . . . . 13 LEU N . 18469 1 170 . 1 1 14 14 ILE H H 1 8.351 0.02 . 1 . . . . . 14 ILE H . 18469 1 171 . 1 1 14 14 ILE HA H 1 4.539 0.02 . 1 . . . . . 14 ILE HA . 18469 1 172 . 1 1 14 14 ILE HB H 1 1.614 0.02 . 1 . . . . . 14 ILE HB . 18469 1 173 . 1 1 14 14 ILE HG12 H 1 1.458 0.02 . 2 . . . . . 14 ILE HG12 . 18469 1 174 . 1 1 14 14 ILE HG13 H 1 1.052 0.02 . 2 . . . . . 14 ILE HG13 . 18469 1 175 . 1 1 14 14 ILE HG21 H 1 0.773 0.02 . 1 . . . . . 14 ILE HG2 . 18469 1 176 . 1 1 14 14 ILE HG22 H 1 0.773 0.02 . 1 . . . . . 14 ILE HG2 . 18469 1 177 . 1 1 14 14 ILE HG23 H 1 0.773 0.02 . 1 . . . . . 14 ILE HG2 . 18469 1 178 . 1 1 14 14 ILE HD11 H 1 0.819 0.02 . 1 . . . . . 14 ILE HD1 . 18469 1 179 . 1 1 14 14 ILE HD12 H 1 0.819 0.02 . 1 . . . . . 14 ILE HD1 . 18469 1 180 . 1 1 14 14 ILE HD13 H 1 0.819 0.02 . 1 . . . . . 14 ILE HD1 . 18469 1 181 . 1 1 14 14 ILE C C 13 174.870 0.2 . 1 . . . . . 14 ILE C . 18469 1 182 . 1 1 14 14 ILE CA C 13 60.437 0.2 . 1 . . . . . 14 ILE CA . 18469 1 183 . 1 1 14 14 ILE CB C 13 44.198 0.2 . 1 . . . . . 14 ILE CB . 18469 1 184 . 1 1 14 14 ILE CG1 C 13 27.433 0.2 . 1 . . . . . 14 ILE CG1 . 18469 1 185 . 1 1 14 14 ILE CG2 C 13 18.516 0.2 . 1 . . . . . 14 ILE CG2 . 18469 1 186 . 1 1 14 14 ILE CD1 C 13 15.178 0.2 . 1 . . . . . 14 ILE CD1 . 18469 1 187 . 1 1 14 14 ILE N N 15 114.975 0.2 . 1 . . . . . 14 ILE N . 18469 1 188 . 1 1 15 15 VAL H H 1 8.858 0.02 . 1 . . . . . 15 VAL H . 18469 1 189 . 1 1 15 15 VAL HA H 1 4.167 0.02 . 1 . . . . . 15 VAL HA . 18469 1 190 . 1 1 15 15 VAL HB H 1 2.050 0.02 . 1 . . . . . 15 VAL HB . 18469 1 191 . 1 1 15 15 VAL HG11 H 1 0.916 0.02 . 1 . . . . . 15 VAL HG1 . 18469 1 192 . 1 1 15 15 VAL HG12 H 1 0.916 0.02 . 1 . . . . . 15 VAL HG1 . 18469 1 193 . 1 1 15 15 VAL HG13 H 1 0.916 0.02 . 1 . . . . . 15 VAL HG1 . 18469 1 194 . 1 1 15 15 VAL HG21 H 1 0.970 0.02 . 1 . . . . . 15 VAL HG2 . 18469 1 195 . 1 1 15 15 VAL HG22 H 1 0.970 0.02 . 1 . . . . . 15 VAL HG2 . 18469 1 196 . 1 1 15 15 VAL HG23 H 1 0.970 0.02 . 1 . . . . . 15 VAL HG2 . 18469 1 197 . 1 1 15 15 VAL C C 13 175.157 0.2 . 1 . . . . . 15 VAL C . 18469 1 198 . 1 1 15 15 VAL CA C 13 63.115 0.2 . 1 . . . . . 15 VAL CA . 18469 1 199 . 1 1 15 15 VAL CB C 13 32.089 0.2 . 1 . . . . . 15 VAL CB . 18469 1 200 . 1 1 15 15 VAL CG1 C 13 21.783 0.2 . 1 . . . . . 15 VAL CG1 . 18469 1 201 . 1 1 15 15 VAL CG2 C 13 21.509 0.2 . 1 . . . . . 15 VAL CG2 . 18469 1 202 . 1 1 15 15 VAL N N 15 129.091 0.2 . 1 . . . . . 15 VAL N . 18469 1 203 . 1 1 16 16 LEU H H 1 9.508 0.02 . 1 . . . . . 16 LEU H . 18469 1 204 . 1 1 16 16 LEU HA H 1 4.275 0.02 . 1 . . . . . 16 LEU HA . 18469 1 205 . 1 1 16 16 LEU HB2 H 1 1.683 0.02 . 2 . . . . . 16 LEU HB2 . 18469 1 206 . 1 1 16 16 LEU HB3 H 1 1.409 0.02 . 2 . . . . . 16 LEU HB3 . 18469 1 207 . 1 1 16 16 LEU HG H 1 1.617 0.02 . 1 . . . . . 16 LEU HG . 18469 1 208 . 1 1 16 16 LEU HD11 H 1 0.747 0.02 . 1 . . . . . 16 LEU HD1 . 18469 1 209 . 1 1 16 16 LEU HD12 H 1 0.747 0.02 . 1 . . . . . 16 LEU HD1 . 18469 1 210 . 1 1 16 16 LEU HD13 H 1 0.747 0.02 . 1 . . . . . 16 LEU HD1 . 18469 1 211 . 1 1 16 16 LEU HD21 H 1 0.810 0.02 . 1 . . . . . 16 LEU HD2 . 18469 1 212 . 1 1 16 16 LEU HD22 H 1 0.810 0.02 . 1 . . . . . 16 LEU HD2 . 18469 1 213 . 1 1 16 16 LEU HD23 H 1 0.810 0.02 . 1 . . . . . 16 LEU HD2 . 18469 1 214 . 1 1 16 16 LEU C C 13 176.017 0.2 . 1 . . . . . 16 LEU C . 18469 1 215 . 1 1 16 16 LEU CA C 13 57.058 0.2 . 1 . . . . . 16 LEU CA . 18469 1 216 . 1 1 16 16 LEU CB C 13 42.202 0.2 . 1 . . . . . 16 LEU CB . 18469 1 217 . 1 1 16 16 LEU CG C 13 27.908 0.2 . 1 . . . . . 16 LEU CG . 18469 1 218 . 1 1 16 16 LEU CD1 C 13 26.456 0.2 . 1 . . . . . 16 LEU CD1 . 18469 1 219 . 1 1 16 16 LEU CD2 C 13 24.193 0.2 . 1 . . . . . 16 LEU CD2 . 18469 1 220 . 1 1 16 16 LEU N N 15 127.635 0.2 . 1 . . . . . 16 LEU N . 18469 1 221 . 1 1 17 17 SER H H 1 7.649 0.02 . 1 . . . . . 17 SER H . 18469 1 222 . 1 1 17 17 SER HA H 1 4.510 0.02 . 1 . . . . . 17 SER HA . 18469 1 223 . 1 1 17 17 SER HB2 H 1 4.374 0.02 . 2 . . . . . 17 SER HB2 . 18469 1 224 . 1 1 17 17 SER HB3 H 1 3.825 0.02 . 2 . . . . . 17 SER HB3 . 18469 1 225 . 1 1 17 17 SER C C 13 172.289 0.2 . 1 . . . . . 17 SER C . 18469 1 226 . 1 1 17 17 SER CA C 13 57.727 0.2 . 1 . . . . . 17 SER CA . 18469 1 227 . 1 1 17 17 SER CB C 13 64.076 0.2 . 1 . . . . . 17 SER CB . 18469 1 228 . 1 1 17 17 SER N N 15 106.962 0.2 . 1 . . . . . 17 SER N . 18469 1 229 . 1 1 18 18 GLU H H 1 8.449 0.02 . 1 . . . . . 18 GLU H . 18469 1 230 . 1 1 18 18 GLU HA H 1 5.099 0.02 . 1 . . . . . 18 GLU HA . 18469 1 231 . 1 1 18 18 GLU HB2 H 1 1.943 0.02 . 2 . . . . . 18 GLU HB2 . 18469 1 232 . 1 1 18 18 GLU HB3 H 1 1.898 0.02 . 2 . . . . . 18 GLU HB3 . 18469 1 233 . 1 1 18 18 GLU HG2 H 1 2.385 0.02 . 2 . . . . . 18 GLU HG2 . 18469 1 234 . 1 1 18 18 GLU HG3 H 1 1.991 0.02 . 2 . . . . . 18 GLU HG3 . 18469 1 235 . 1 1 18 18 GLU C C 13 175.446 0.2 . 1 . . . . . 18 GLU C . 18469 1 236 . 1 1 18 18 GLU CA C 13 55.360 0.2 . 1 . . . . . 18 GLU CA . 18469 1 237 . 1 1 18 18 GLU CB C 13 33.356 0.2 . 1 . . . . . 18 GLU CB . 18469 1 238 . 1 1 18 18 GLU CG C 13 36.523 0.2 . 1 . . . . . 18 GLU CG . 18469 1 239 . 1 1 18 18 GLU N N 15 119.219 0.2 . 1 . . . . . 18 GLU N . 18469 1 240 . 1 1 19 19 ASN H H 1 8.744 0.02 . 1 . . . . . 19 ASN H . 18469 1 241 . 1 1 19 19 ASN HA H 1 5.051 0.02 . 1 . . . . . 19 ASN HA . 18469 1 242 . 1 1 19 19 ASN HB2 H 1 3.522 0.02 . 2 . . . . . 19 ASN HB2 . 18469 1 243 . 1 1 19 19 ASN HB3 H 1 2.986 0.02 . 2 . . . . . 19 ASN HB3 . 18469 1 244 . 1 1 19 19 ASN HD21 H 1 7.574 0.02 . 1 . . . . . 19 ASN HD21 . 18469 1 245 . 1 1 19 19 ASN HD22 H 1 6.721 0.02 . 1 . . . . . 19 ASN HD22 . 18469 1 246 . 1 1 19 19 ASN C C 13 177.146 0.2 . 1 . . . . . 19 ASN C . 18469 1 247 . 1 1 19 19 ASN CA C 13 50.842 0.2 . 1 . . . . . 19 ASN CA . 18469 1 248 . 1 1 19 19 ASN CB C 13 39.349 0.2 . 1 . . . . . 19 ASN CB . 18469 1 249 . 1 1 19 19 ASN N N 15 123.939 0.2 . 1 . . . . . 19 ASN N . 18469 1 250 . 1 1 19 19 ASN ND2 N 15 110.696 0.2 . 1 . . . . . 19 ASN ND2 . 18469 1 251 . 1 1 20 20 ALA H H 1 8.445 0.02 . 1 . . . . . 20 ALA H . 18469 1 252 . 1 1 20 20 ALA HA H 1 4.217 0.02 . 1 . . . . . 20 ALA HA . 18469 1 253 . 1 1 20 20 ALA HB1 H 1 1.480 0.02 . 1 . . . . . 20 ALA HB . 18469 1 254 . 1 1 20 20 ALA HB2 H 1 1.480 0.02 . 1 . . . . . 20 ALA HB . 18469 1 255 . 1 1 20 20 ALA HB3 H 1 1.480 0.02 . 1 . . . . . 20 ALA HB . 18469 1 256 . 1 1 20 20 ALA C C 13 178.853 0.2 . 1 . . . . . 20 ALA C . 18469 1 257 . 1 1 20 20 ALA CA C 13 54.726 0.2 . 1 . . . . . 20 ALA CA . 18469 1 258 . 1 1 20 20 ALA CB C 13 18.601 0.2 . 1 . . . . . 20 ALA CB . 18469 1 259 . 1 1 20 20 ALA N N 15 120.722 0.2 . 1 . . . . . 20 ALA N . 18469 1 260 . 1 1 21 21 LYS H H 1 7.675 0.02 . 1 . . . . . 21 LYS H . 18469 1 261 . 1 1 21 21 LYS HA H 1 4.457 0.02 . 1 . . . . . 21 LYS HA . 18469 1 262 . 1 1 21 21 LYS HB2 H 1 1.771 0.02 . 2 . . . . . 21 LYS HB2 . 18469 1 263 . 1 1 21 21 LYS HB3 H 1 2.092 0.02 . 2 . . . . . 21 LYS HB3 . 18469 1 264 . 1 1 21 21 LYS HG2 H 1 1.391 0.02 . 2 . . . . . 21 LYS HG2 . 18469 1 265 . 1 1 21 21 LYS HG3 H 1 1.391 0.02 . 2 . . . . . 21 LYS HG3 . 18469 1 266 . 1 1 21 21 LYS HD2 H 1 1.529 0.02 . 2 . . . . . 21 LYS HD2 . 18469 1 267 . 1 1 21 21 LYS HD3 H 1 1.496 0.02 . 2 . . . . . 21 LYS HD3 . 18469 1 268 . 1 1 21 21 LYS HE2 H 1 2.827 0.02 . 2 . . . . . 21 LYS HE2 . 18469 1 269 . 1 1 21 21 LYS HE3 H 1 2.827 0.02 . 2 . . . . . 21 LYS HE3 . 18469 1 270 . 1 1 21 21 LYS C C 13 176.649 0.2 . 1 . . . . . 21 LYS C . 18469 1 271 . 1 1 21 21 LYS CA C 13 55.568 0.2 . 1 . . . . . 21 LYS CA . 18469 1 272 . 1 1 21 21 LYS CB C 13 32.520 0.2 . 1 . . . . . 21 LYS CB . 18469 1 273 . 1 1 21 21 LYS CG C 13 25.115 0.2 . 1 . . . . . 21 LYS CG . 18469 1 274 . 1 1 21 21 LYS CD C 13 28.808 0.2 . 1 . . . . . 21 LYS CD . 18469 1 275 . 1 1 21 21 LYS CE C 13 42.013 0.2 . 1 . . . . . 21 LYS CE . 18469 1 276 . 1 1 21 21 LYS N N 15 115.557 0.2 . 1 . . . . . 21 LYS N . 18469 1 277 . 1 1 22 22 GLY H H 1 8.272 0.02 . 1 . . . . . 22 GLY H . 18469 1 278 . 1 1 22 22 GLY HA2 H 1 4.312 0.02 . 2 . . . . . 22 GLY HA2 . 18469 1 279 . 1 1 22 22 GLY HA3 H 1 3.837 0.02 . 2 . . . . . 22 GLY HA3 . 18469 1 280 . 1 1 22 22 GLY C C 13 174.853 0.2 . 1 . . . . . 22 GLY C . 18469 1 281 . 1 1 22 22 GLY CA C 13 45.343 0.2 . 1 . . . . . 22 GLY CA . 18469 1 282 . 1 1 22 22 GLY N N 15 107.607 0.2 . 1 . . . . . 22 GLY N . 18469 1 283 . 1 1 23 23 TRP H H 1 8.051 0.02 . 1 . . . . . 23 TRP H . 18469 1 284 . 1 1 23 23 TRP HA H 1 4.815 0.02 . 1 . . . . . 23 TRP HA . 18469 1 285 . 1 1 23 23 TRP HB2 H 1 2.985 0.02 . 2 . . . . . 23 TRP HB2 . 18469 1 286 . 1 1 23 23 TRP HB3 H 1 2.932 0.02 . 2 . . . . . 23 TRP HB3 . 18469 1 287 . 1 1 23 23 TRP HD1 H 1 7.182 0.02 . 1 . . . . . 23 TRP HD1 . 18469 1 288 . 1 1 23 23 TRP HE1 H 1 10.432 0.02 . 1 . . . . . 23 TRP HE1 . 18469 1 289 . 1 1 23 23 TRP HE3 H 1 7.163 0.02 . 1 . . . . . 23 TRP HE3 . 18469 1 290 . 1 1 23 23 TRP HZ2 H 1 7.418 0.02 . 1 . . . . . 23 TRP HZ2 . 18469 1 291 . 1 1 23 23 TRP HZ3 H 1 6.575 0.02 . 1 . . . . . 23 TRP HZ3 . 18469 1 292 . 1 1 23 23 TRP HH2 H 1 6.959 0.02 . 1 . . . . . 23 TRP HH2 . 18469 1 293 . 1 1 23 23 TRP C C 13 176.617 0.2 . 1 . . . . . 23 TRP C . 18469 1 294 . 1 1 23 23 TRP CA C 13 58.264 0.2 . 1 . . . . . 23 TRP CA . 18469 1 295 . 1 1 23 23 TRP CB C 13 28.107 0.2 . 1 . . . . . 23 TRP CB . 18469 1 296 . 1 1 23 23 TRP CD1 C 13 125.101 0.2 . 1 . . . . . 23 TRP CD1 . 18469 1 297 . 1 1 23 23 TRP CE3 C 13 120.968 0.2 . 1 . . . . . 23 TRP CE3 . 18469 1 298 . 1 1 23 23 TRP CZ2 C 13 114.440 0.2 . 1 . . . . . 23 TRP CZ2 . 18469 1 299 . 1 1 23 23 TRP CZ3 C 13 120.876 0.2 . 1 . . . . . 23 TRP CZ3 . 18469 1 300 . 1 1 23 23 TRP CH2 C 13 124.799 0.2 . 1 . . . . . 23 TRP CH2 . 18469 1 301 . 1 1 23 23 TRP N N 15 121.080 0.2 . 1 . . . . . 23 TRP N . 18469 1 302 . 1 1 23 23 TRP NE1 N 15 129.658 0.2 . 1 . . . . . 23 TRP NE1 . 18469 1 303 . 1 1 24 24 ARG H H 1 9.003 0.02 . 1 . . . . . 24 ARG H . 18469 1 304 . 1 1 24 24 ARG HA H 1 5.452 0.02 . 1 . . . . . 24 ARG HA . 18469 1 305 . 1 1 24 24 ARG HB2 H 1 2.211 0.02 . 2 . . . . . 24 ARG HB2 . 18469 1 306 . 1 1 24 24 ARG HB3 H 1 1.924 0.02 . 2 . . . . . 24 ARG HB3 . 18469 1 307 . 1 1 24 24 ARG HG2 H 1 1.854 0.02 . 2 . . . . . 24 ARG HG2 . 18469 1 308 . 1 1 24 24 ARG HG3 H 1 1.503 0.02 . 2 . . . . . 24 ARG HG3 . 18469 1 309 . 1 1 24 24 ARG HD2 H 1 3.204 0.02 . 2 . . . . . 24 ARG HD2 . 18469 1 310 . 1 1 24 24 ARG HD3 H 1 3.182 0.02 . 2 . . . . . 24 ARG HD3 . 18469 1 311 . 1 1 24 24 ARG HE H 1 7.571 0.02 . 1 . . . . . 24 ARG HE . 18469 1 312 . 1 1 24 24 ARG C C 13 175.730 0.2 . 1 . . . . . 24 ARG C . 18469 1 313 . 1 1 24 24 ARG CA C 13 54.893 0.2 . 1 . . . . . 24 ARG CA . 18469 1 314 . 1 1 24 24 ARG CB C 13 34.126 0.2 . 1 . . . . . 24 ARG CB . 18469 1 315 . 1 1 24 24 ARG CG C 13 27.329 0.2 . 1 . . . . . 24 ARG CG . 18469 1 316 . 1 1 24 24 ARG CD C 13 43.960 0.2 . 1 . . . . . 24 ARG CD . 18469 1 317 . 1 1 24 24 ARG N N 15 121.039 0.2 . 1 . . . . . 24 ARG N . 18469 1 318 . 1 1 24 24 ARG NE N 15 84.477 0.2 . 1 . . . . . 24 ARG NE . 18469 1 319 . 1 1 25 25 LYS H H 1 8.476 0.02 . 1 . . . . . 25 LYS H . 18469 1 320 . 1 1 25 25 LYS HA H 1 5.047 0.02 . 1 . . . . . 25 LYS HA . 18469 1 321 . 1 1 25 25 LYS HB2 H 1 1.798 0.02 . 2 . . . . . 25 LYS HB2 . 18469 1 322 . 1 1 25 25 LYS C C 13 175.670 0.2 . 1 . . . . . 25 LYS C . 18469 1 323 . 1 1 25 25 LYS CA C 13 56.148 0.2 . 1 . . . . . 25 LYS CA . 18469 1 324 . 1 1 25 25 LYS CB C 13 32.214 0.2 . 1 . . . . . 25 LYS CB . 18469 1 325 . 1 1 25 25 LYS N N 15 125.758 0.2 . 1 . . . . . 25 LYS N . 18469 1 326 . 1 1 26 26 GLU H H 1 9.159 0.02 . 1 . . . . . 26 GLU H . 18469 1 327 . 1 1 26 26 GLU HA H 1 5.234 0.02 . 1 . . . . . 26 GLU HA . 18469 1 328 . 1 1 26 26 GLU HB2 H 1 2.267 0.02 . 2 . . . . . 26 GLU HB2 . 18469 1 329 . 1 1 26 26 GLU HB3 H 1 2.069 0.02 . 2 . . . . . 26 GLU HB3 . 18469 1 330 . 1 1 26 26 GLU HG2 H 1 2.557 0.02 . 2 . . . . . 26 GLU HG2 . 18469 1 331 . 1 1 26 26 GLU HG3 H 1 2.283 0.02 . 2 . . . . . 26 GLU HG3 . 18469 1 332 . 1 1 26 26 GLU C C 13 174.941 0.2 . 1 . . . . . 26 GLU C . 18469 1 333 . 1 1 26 26 GLU CA C 13 55.201 0.2 . 1 . . . . . 26 GLU CA . 18469 1 334 . 1 1 26 26 GLU CB C 13 34.930 0.2 . 1 . . . . . 26 GLU CB . 18469 1 335 . 1 1 26 26 GLU CG C 13 36.288 0.2 . 1 . . . . . 26 GLU CG . 18469 1 336 . 1 1 26 26 GLU N N 15 125.966 0.2 . 1 . . . . . 26 GLU N . 18469 1 337 . 1 1 27 27 LEU H H 1 8.922 0.02 . 1 . . . . . 27 LEU H . 18469 1 338 . 1 1 27 27 LEU HA H 1 5.738 0.02 . 1 . . . . . 27 LEU HA . 18469 1 339 . 1 1 27 27 LEU HB2 H 1 1.966 0.02 . 2 . . . . . 27 LEU HB2 . 18469 1 340 . 1 1 27 27 LEU HB3 H 1 1.197 0.02 . 2 . . . . . 27 LEU HB3 . 18469 1 341 . 1 1 27 27 LEU HG H 1 1.659 0.02 . 1 . . . . . 27 LEU HG . 18469 1 342 . 1 1 27 27 LEU HD11 H 1 1.028 0.02 . 1 . . . . . 27 LEU HD1 . 18469 1 343 . 1 1 27 27 LEU HD12 H 1 1.028 0.02 . 1 . . . . . 27 LEU HD1 . 18469 1 344 . 1 1 27 27 LEU HD13 H 1 1.028 0.02 . 1 . . . . . 27 LEU HD1 . 18469 1 345 . 1 1 27 27 LEU HD21 H 1 0.939 0.02 . 1 . . . . . 27 LEU HD2 . 18469 1 346 . 1 1 27 27 LEU HD22 H 1 0.939 0.02 . 1 . . . . . 27 LEU HD2 . 18469 1 347 . 1 1 27 27 LEU HD23 H 1 0.939 0.02 . 1 . . . . . 27 LEU HD2 . 18469 1 348 . 1 1 27 27 LEU C C 13 173.911 0.2 . 1 . . . . . 27 LEU C . 18469 1 349 . 1 1 27 27 LEU CA C 13 53.790 0.2 . 1 . . . . . 27 LEU CA . 18469 1 350 . 1 1 27 27 LEU CB C 13 44.025 0.2 . 1 . . . . . 27 LEU CB . 18469 1 351 . 1 1 27 27 LEU CG C 13 28.375 0.2 . 1 . . . . . 27 LEU CG . 18469 1 352 . 1 1 27 27 LEU CD1 C 13 23.775 0.2 . 1 . . . . . 27 LEU CD1 . 18469 1 353 . 1 1 27 27 LEU CD2 C 13 26.686 0.2 . 1 . . . . . 27 LEU CD2 . 18469 1 354 . 1 1 27 27 LEU N N 15 122.113 0.2 . 1 . . . . . 27 LEU N . 18469 1 355 . 1 1 28 28 ASN H H 1 9.232 0.02 . 1 . . . . . 28 ASN H . 18469 1 356 . 1 1 28 28 ASN HA H 1 5.411 0.02 . 1 . . . . . 28 ASN HA . 18469 1 357 . 1 1 28 28 ASN HB2 H 1 2.613 0.02 . 2 . . . . . 28 ASN HB2 . 18469 1 358 . 1 1 28 28 ASN HB3 H 1 2.528 0.02 . 2 . . . . . 28 ASN HB3 . 18469 1 359 . 1 1 28 28 ASN HD21 H 1 8.427 0.02 . 1 . . . . . 28 ASN HD21 . 18469 1 360 . 1 1 28 28 ASN HD22 H 1 6.172 0.02 . 1 . . . . . 28 ASN HD22 . 18469 1 361 . 1 1 28 28 ASN C C 13 174.387 0.2 . 1 . . . . . 28 ASN C . 18469 1 362 . 1 1 28 28 ASN CA C 13 52.077 0.2 . 1 . . . . . 28 ASN CA . 18469 1 363 . 1 1 28 28 ASN CB C 13 44.382 0.2 . 1 . . . . . 28 ASN CB . 18469 1 364 . 1 1 28 28 ASN N N 15 124.174 0.2 . 1 . . . . . 28 ASN N . 18469 1 365 . 1 1 28 28 ASN ND2 N 15 113.761 0.2 . 1 . . . . . 28 ASN ND2 . 18469 1 366 . 1 1 29 29 ARG H H 1 9.109 0.02 . 1 . . . . . 29 ARG H . 18469 1 367 . 1 1 29 29 ARG HA H 1 5.013 0.02 . 1 . . . . . 29 ARG HA . 18469 1 368 . 1 1 29 29 ARG HB2 H 1 1.369 0.02 . 2 . . . . . 29 ARG HB2 . 18469 1 369 . 1 1 29 29 ARG HB3 H 1 1.172 0.02 . 2 . . . . . 29 ARG HB3 . 18469 1 370 . 1 1 29 29 ARG HG2 H 1 1.084 0.02 . 2 . . . . . 29 ARG HG2 . 18469 1 371 . 1 1 29 29 ARG HG3 H 1 0.529 0.02 . 2 . . . . . 29 ARG HG3 . 18469 1 372 . 1 1 29 29 ARG HD2 H 1 2.890 0.02 . 2 . . . . . 29 ARG HD2 . 18469 1 373 . 1 1 29 29 ARG HD3 H 1 2.695 0.02 . 2 . . . . . 29 ARG HD3 . 18469 1 374 . 1 1 29 29 ARG HE H 1 7.179 0.02 . 1 . . . . . 29 ARG HE . 18469 1 375 . 1 1 29 29 ARG C C 13 175.791 0.2 . 1 . . . . . 29 ARG C . 18469 1 376 . 1 1 29 29 ARG CA C 13 55.979 0.2 . 1 . . . . . 29 ARG CA . 18469 1 377 . 1 1 29 29 ARG CB C 13 31.570 0.2 . 1 . . . . . 29 ARG CB . 18469 1 378 . 1 1 29 29 ARG CG C 13 28.268 0.2 . 1 . . . . . 29 ARG CG . 18469 1 379 . 1 1 29 29 ARG CD C 13 42.720 0.2 . 1 . . . . . 29 ARG CD . 18469 1 380 . 1 1 29 29 ARG N N 15 118.453 0.2 . 1 . . . . . 29 ARG N . 18469 1 381 . 1 1 29 29 ARG NE N 15 82.682 0.2 . 1 . . . . . 29 ARG NE . 18469 1 382 . 1 1 30 30 VAL H H 1 9.041 0.02 . 1 . . . . . 30 VAL H . 18469 1 383 . 1 1 30 30 VAL HA H 1 4.485 0.02 . 1 . . . . . 30 VAL HA . 18469 1 384 . 1 1 30 30 VAL HB H 1 1.613 0.02 . 1 . . . . . 30 VAL HB . 18469 1 385 . 1 1 30 30 VAL HG11 H 1 -0.220 0.02 . 1 . . . . . 30 VAL HG1 . 18469 1 386 . 1 1 30 30 VAL HG12 H 1 -0.220 0.02 . 1 . . . . . 30 VAL HG1 . 18469 1 387 . 1 1 30 30 VAL HG13 H 1 -0.220 0.02 . 1 . . . . . 30 VAL HG1 . 18469 1 388 . 1 1 30 30 VAL HG21 H 1 0.848 0.02 . 1 . . . . . 30 VAL HG2 . 18469 1 389 . 1 1 30 30 VAL HG22 H 1 0.848 0.02 . 1 . . . . . 30 VAL HG2 . 18469 1 390 . 1 1 30 30 VAL HG23 H 1 0.848 0.02 . 1 . . . . . 30 VAL HG2 . 18469 1 391 . 1 1 30 30 VAL C C 13 174.868 0.2 . 1 . . . . . 30 VAL C . 18469 1 392 . 1 1 30 30 VAL CA C 13 61.036 0.2 . 1 . . . . . 30 VAL CA . 18469 1 393 . 1 1 30 30 VAL CB C 13 37.638 0.2 . 1 . . . . . 30 VAL CB . 18469 1 394 . 1 1 30 30 VAL CG1 C 13 19.798 0.2 . 1 . . . . . 30 VAL CG1 . 18469 1 395 . 1 1 30 30 VAL CG2 C 13 23.211 0.2 . 1 . . . . . 30 VAL CG2 . 18469 1 396 . 1 1 30 30 VAL N N 15 124.109 0.2 . 1 . . . . . 30 VAL N . 18469 1 397 . 1 1 31 31 SER H H 1 8.727 0.02 . 1 . . . . . 31 SER H . 18469 1 398 . 1 1 31 31 SER HA H 1 4.565 0.02 . 1 . . . . . 31 SER HA . 18469 1 399 . 1 1 31 31 SER HB2 H 1 3.570 0.02 . 2 . . . . . 31 SER HB2 . 18469 1 400 . 1 1 31 31 SER HB3 H 1 3.570 0.02 . 2 . . . . . 31 SER HB3 . 18469 1 401 . 1 1 31 31 SER C C 13 174.296 0.2 . 1 . . . . . 31 SER C . 18469 1 402 . 1 1 31 31 SER CA C 13 56.611 0.2 . 1 . . . . . 31 SER CA . 18469 1 403 . 1 1 31 31 SER CB C 13 64.061 0.2 . 1 . . . . . 31 SER CB . 18469 1 404 . 1 1 31 31 SER N N 15 121.494 0.2 . 1 . . . . . 31 SER N . 18469 1 405 . 1 1 32 32 TRP H H 1 9.061 0.02 . 1 . . . . . 32 TRP H . 18469 1 406 . 1 1 32 32 TRP HA H 1 5.044 0.02 . 1 . . . . . 32 TRP HA . 18469 1 407 . 1 1 32 32 TRP HB2 H 1 3.177 0.02 . 2 . . . . . 32 TRP HB2 . 18469 1 408 . 1 1 32 32 TRP HB3 H 1 3.085 0.02 . 2 . . . . . 32 TRP HB3 . 18469 1 409 . 1 1 32 32 TRP HD1 H 1 7.043 0.02 . 1 . . . . . 32 TRP HD1 . 18469 1 410 . 1 1 32 32 TRP HE1 H 1 9.951 0.02 . 1 . . . . . 32 TRP HE1 . 18469 1 411 . 1 1 32 32 TRP HE3 H 1 7.640 0.02 . 1 . . . . . 32 TRP HE3 . 18469 1 412 . 1 1 32 32 TRP HZ2 H 1 7.382 0.02 . 1 . . . . . 32 TRP HZ2 . 18469 1 413 . 1 1 32 32 TRP HZ3 H 1 6.789 0.02 . 1 . . . . . 32 TRP HZ3 . 18469 1 414 . 1 1 32 32 TRP HH2 H 1 6.673 0.02 . 1 . . . . . 32 TRP HH2 . 18469 1 415 . 1 1 32 32 TRP C C 13 176.970 0.2 . 1 . . . . . 32 TRP C . 18469 1 416 . 1 1 32 32 TRP CA C 13 56.055 0.2 . 1 . . . . . 32 TRP CA . 18469 1 417 . 1 1 32 32 TRP CB C 13 29.871 0.2 . 1 . . . . . 32 TRP CB . 18469 1 418 . 1 1 32 32 TRP CD1 C 13 126.575 0.2 . 1 . . . . . 32 TRP CD1 . 18469 1 419 . 1 1 32 32 TRP CE3 C 13 120.952 0.2 . 1 . . . . . 32 TRP CE3 . 18469 1 420 . 1 1 32 32 TRP CZ2 C 13 114.521 0.2 . 1 . . . . . 32 TRP CZ2 . 18469 1 421 . 1 1 32 32 TRP CZ3 C 13 121.798 0.2 . 1 . . . . . 32 TRP CZ3 . 18469 1 422 . 1 1 32 32 TRP CH2 C 13 123.780 0.2 . 1 . . . . . 32 TRP CH2 . 18469 1 423 . 1 1 32 32 TRP N N 15 132.298 0.2 . 1 . . . . . 32 TRP N . 18469 1 424 . 1 1 32 32 TRP NE1 N 15 128.798 0.2 . 1 . . . . . 32 TRP NE1 . 18469 1 425 . 1 1 33 33 ASN H H 1 9.732 0.02 . 1 . . . . . 33 ASN H . 18469 1 426 . 1 1 33 33 ASN HA H 1 4.210 0.02 . 1 . . . . . 33 ASN HA . 18469 1 427 . 1 1 33 33 ASN HB2 H 1 3.153 0.02 . 2 . . . . . 33 ASN HB2 . 18469 1 428 . 1 1 33 33 ASN HB3 H 1 2.754 0.02 . 2 . . . . . 33 ASN HB3 . 18469 1 429 . 1 1 33 33 ASN HD21 H 1 7.723 0.02 . 1 . . . . . 33 ASN HD21 . 18469 1 430 . 1 1 33 33 ASN HD22 H 1 6.953 0.02 . 1 . . . . . 33 ASN HD22 . 18469 1 431 . 1 1 33 33 ASN C C 13 173.904 0.2 . 1 . . . . . 33 ASN C . 18469 1 432 . 1 1 33 33 ASN CA C 13 55.020 0.2 . 1 . . . . . 33 ASN CA . 18469 1 433 . 1 1 33 33 ASN CB C 13 37.686 0.2 . 1 . . . . . 33 ASN CB . 18469 1 434 . 1 1 33 33 ASN N N 15 125.532 0.2 . 1 . . . . . 33 ASN N . 18469 1 435 . 1 1 33 33 ASN ND2 N 15 112.822 0.2 . 1 . . . . . 33 ASN ND2 . 18469 1 436 . 1 1 34 34 ASP H H 1 9.248 0.02 . 1 . . . . . 34 ASP H . 18469 1 437 . 1 1 34 34 ASP HA H 1 4.111 0.02 . 1 . . . . . 34 ASP HA . 18469 1 438 . 1 1 34 34 ASP HB2 H 1 2.863 0.02 . 2 . . . . . 34 ASP HB2 . 18469 1 439 . 1 1 34 34 ASP HB3 H 1 2.813 0.02 . 2 . . . . . 34 ASP HB3 . 18469 1 440 . 1 1 34 34 ASP C C 13 174.798 0.2 . 1 . . . . . 34 ASP C . 18469 1 441 . 1 1 34 34 ASP CA C 13 56.168 0.2 . 1 . . . . . 34 ASP CA . 18469 1 442 . 1 1 34 34 ASP CB C 13 39.647 0.2 . 1 . . . . . 34 ASP CB . 18469 1 443 . 1 1 34 34 ASP N N 15 111.622 0.2 . 1 . . . . . 34 ASP N . 18469 1 444 . 1 1 35 35 ALA H H 1 7.625 0.02 . 1 . . . . . 35 ALA H . 18469 1 445 . 1 1 35 35 ALA HA H 1 4.477 0.02 . 1 . . . . . 35 ALA HA . 18469 1 446 . 1 1 35 35 ALA HB1 H 1 1.694 0.02 . 1 . . . . . 35 ALA HB . 18469 1 447 . 1 1 35 35 ALA HB2 H 1 1.694 0.02 . 1 . . . . . 35 ALA HB . 18469 1 448 . 1 1 35 35 ALA HB3 H 1 1.694 0.02 . 1 . . . . . 35 ALA HB . 18469 1 449 . 1 1 35 35 ALA C C 13 177.648 0.2 . 1 . . . . . 35 ALA C . 18469 1 450 . 1 1 35 35 ALA CA C 13 51.473 0.2 . 1 . . . . . 35 ALA CA . 18469 1 451 . 1 1 35 35 ALA CB C 13 20.303 0.2 . 1 . . . . . 35 ALA CB . 18469 1 452 . 1 1 35 35 ALA N N 15 121.661 0.2 . 1 . . . . . 35 ALA N . 18469 1 453 . 1 1 36 36 GLU H H 1 8.722 0.02 . 1 . . . . . 36 GLU H . 18469 1 454 . 1 1 36 36 GLU HA H 1 4.398 0.02 . 1 . . . . . 36 GLU HA . 18469 1 455 . 1 1 36 36 GLU HB2 H 1 2.040 0.02 . 2 . . . . . 36 GLU HB2 . 18469 1 456 . 1 1 36 36 GLU HB3 H 1 2.024 0.02 . 2 . . . . . 36 GLU HB3 . 18469 1 457 . 1 1 36 36 GLU HG2 H 1 2.401 0.02 . 2 . . . . . 36 GLU HG2 . 18469 1 458 . 1 1 36 36 GLU HG3 H 1 2.400 0.02 . 2 . . . . . 36 GLU HG3 . 18469 1 459 . 1 1 36 36 GLU C C 13 174.710 0.2 . 1 . . . . . 36 GLU C . 18469 1 460 . 1 1 36 36 GLU CA C 13 55.333 0.2 . 1 . . . . . 36 GLU CA . 18469 1 461 . 1 1 36 36 GLU CB C 13 28.438 0.2 . 1 . . . . . 36 GLU CB . 18469 1 462 . 1 1 36 36 GLU CG C 13 35.892 0.2 . 1 . . . . . 36 GLU CG . 18469 1 463 . 1 1 36 36 GLU N N 15 121.016 0.2 . 1 . . . . . 36 GLU N . 18469 1 464 . 1 1 37 37 PRO HA H 1 4.193 0.02 . 1 . . . . . 37 PRO HA . 18469 1 465 . 1 1 37 37 PRO HB2 H 1 1.623 0.02 . 2 . . . . . 37 PRO HB2 . 18469 1 466 . 1 1 37 37 PRO HB3 H 1 1.543 0.02 . 2 . . . . . 37 PRO HB3 . 18469 1 467 . 1 1 37 37 PRO HG2 H 1 2.017 0.02 . 2 . . . . . 37 PRO HG2 . 18469 1 468 . 1 1 37 37 PRO HG3 H 1 1.814 0.02 . 2 . . . . . 37 PRO HG3 . 18469 1 469 . 1 1 37 37 PRO HD2 H 1 3.837 0.02 . 2 . . . . . 37 PRO HD2 . 18469 1 470 . 1 1 37 37 PRO HD3 H 1 3.614 0.02 . 2 . . . . . 37 PRO HD3 . 18469 1 471 . 1 1 37 37 PRO C C 13 175.769 0.2 . 1 . . . . . 37 PRO C . 18469 1 472 . 1 1 37 37 PRO CA C 13 63.043 0.2 . 1 . . . . . 37 PRO CA . 18469 1 473 . 1 1 37 37 PRO CB C 13 32.015 0.2 . 1 . . . . . 37 PRO CB . 18469 1 474 . 1 1 37 37 PRO CG C 13 28.096 0.2 . 1 . . . . . 37 PRO CG . 18469 1 475 . 1 1 37 37 PRO CD C 13 50.581 0.2 . 1 . . . . . 37 PRO CD . 18469 1 476 . 1 1 38 38 LYS H H 1 8.234 0.02 . 1 . . . . . 38 LYS H . 18469 1 477 . 1 1 38 38 LYS HA H 1 4.700 0.02 . 1 . . . . . 38 LYS HA . 18469 1 478 . 1 1 38 38 LYS HB2 H 1 1.659 0.02 . 2 . . . . . 38 LYS HB2 . 18469 1 479 . 1 1 38 38 LYS HB3 H 1 2.235 0.02 . 2 . . . . . 38 LYS HB3 . 18469 1 480 . 1 1 38 38 LYS HG2 H 1 1.780 0.02 . 2 . . . . . 38 LYS HG2 . 18469 1 481 . 1 1 38 38 LYS HG3 H 1 1.595 0.02 . 2 . . . . . 38 LYS HG3 . 18469 1 482 . 1 1 38 38 LYS HD2 H 1 1.737 0.02 . 2 . . . . . 38 LYS HD2 . 18469 1 483 . 1 1 38 38 LYS HD3 H 1 1.737 0.02 . 2 . . . . . 38 LYS HD3 . 18469 1 484 . 1 1 38 38 LYS HE2 H 1 3.047 0.02 . 2 . . . . . 38 LYS HE2 . 18469 1 485 . 1 1 38 38 LYS HE3 H 1 3.047 0.02 . 2 . . . . . 38 LYS HE3 . 18469 1 486 . 1 1 38 38 LYS C C 13 176.634 0.2 . 1 . . . . . 38 LYS C . 18469 1 487 . 1 1 38 38 LYS CA C 13 54.128 0.2 . 1 . . . . . 38 LYS CA . 18469 1 488 . 1 1 38 38 LYS CB C 13 37.217 0.2 . 1 . . . . . 38 LYS CB . 18469 1 489 . 1 1 38 38 LYS CG C 13 25.443 0.2 . 1 . . . . . 38 LYS CG . 18469 1 490 . 1 1 38 38 LYS CD C 13 29.459 0.2 . 1 . . . . . 38 LYS CD . 18469 1 491 . 1 1 38 38 LYS CE C 13 42.563 0.2 . 1 . . . . . 38 LYS CE . 18469 1 492 . 1 1 38 38 LYS N N 15 120.863 0.2 . 1 . . . . . 38 LYS N . 18469 1 493 . 1 1 39 39 TYR H H 1 8.432 0.02 . 1 . . . . . 39 TYR H . 18469 1 494 . 1 1 39 39 TYR HA H 1 4.621 0.02 . 1 . . . . . 39 TYR HA . 18469 1 495 . 1 1 39 39 TYR HB2 H 1 2.965 0.02 . 2 . . . . . 39 TYR HB2 . 18469 1 496 . 1 1 39 39 TYR HB3 H 1 2.439 0.02 . 2 . . . . . 39 TYR HB3 . 18469 1 497 . 1 1 39 39 TYR HD1 H 1 6.439 0.02 . 3 . . . . . 39 TYR HD1 . 18469 1 498 . 1 1 39 39 TYR HD2 H 1 6.439 0.02 . 3 . . . . . 39 TYR HD2 . 18469 1 499 . 1 1 39 39 TYR HE1 H 1 6.315 0.02 . 3 . . . . . 39 TYR HE1 . 18469 1 500 . 1 1 39 39 TYR HE2 H 1 6.315 0.02 . 3 . . . . . 39 TYR HE2 . 18469 1 501 . 1 1 39 39 TYR C C 13 175.773 0.2 . 1 . . . . . 39 TYR C . 18469 1 502 . 1 1 39 39 TYR CA C 13 60.058 0.2 . 1 . . . . . 39 TYR CA . 18469 1 503 . 1 1 39 39 TYR CB C 13 38.796 0.2 . 1 . . . . . 39 TYR CB . 18469 1 504 . 1 1 39 39 TYR CD1 C 13 131.789 0.2 . 3 . . . . . 39 TYR CD1 . 18469 1 505 . 1 1 39 39 TYR CD2 C 13 131.789 0.2 . 3 . . . . . 39 TYR CD2 . 18469 1 506 . 1 1 39 39 TYR CE1 C 13 117.739 0.2 . 3 . . . . . 39 TYR CE1 . 18469 1 507 . 1 1 39 39 TYR CE2 C 13 117.739 0.2 . 3 . . . . . 39 TYR CE2 . 18469 1 508 . 1 1 39 39 TYR N N 15 119.958 0.2 . 1 . . . . . 39 TYR N . 18469 1 509 . 1 1 40 40 ASP H H 1 9.217 0.02 . 1 . . . . . 40 ASP H . 18469 1 510 . 1 1 40 40 ASP HA H 1 5.571 0.02 . 1 . . . . . 40 ASP HA . 18469 1 511 . 1 1 40 40 ASP HB2 H 1 2.929 0.02 . 2 . . . . . 40 ASP HB2 . 18469 1 512 . 1 1 40 40 ASP HB3 H 1 2.449 0.02 . 2 . . . . . 40 ASP HB3 . 18469 1 513 . 1 1 40 40 ASP C C 13 175.374 0.2 . 1 . . . . . 40 ASP C . 18469 1 514 . 1 1 40 40 ASP CA C 13 54.857 0.2 . 1 . . . . . 40 ASP CA . 18469 1 515 . 1 1 40 40 ASP CB C 13 48.444 0.2 . 1 . . . . . 40 ASP CB . 18469 1 516 . 1 1 40 40 ASP N N 15 126.100 0.2 . 1 . . . . . 40 ASP N . 18469 1 517 . 1 1 41 41 ILE H H 1 8.898 0.02 . 1 . . . . . 41 ILE H . 18469 1 518 . 1 1 41 41 ILE HA H 1 5.618 0.02 . 1 . . . . . 41 ILE HA . 18469 1 519 . 1 1 41 41 ILE HB H 1 1.736 0.02 . 1 . . . . . 41 ILE HB . 18469 1 520 . 1 1 41 41 ILE HG12 H 1 1.698 0.02 . 2 . . . . . 41 ILE HG12 . 18469 1 521 . 1 1 41 41 ILE HG13 H 1 0.952 0.02 . 2 . . . . . 41 ILE HG13 . 18469 1 522 . 1 1 41 41 ILE HG21 H 1 0.771 0.02 . 1 . . . . . 41 ILE HG2 . 18469 1 523 . 1 1 41 41 ILE HG22 H 1 0.771 0.02 . 1 . . . . . 41 ILE HG2 . 18469 1 524 . 1 1 41 41 ILE HG23 H 1 0.771 0.02 . 1 . . . . . 41 ILE HG2 . 18469 1 525 . 1 1 41 41 ILE HD11 H 1 0.760 0.02 . 1 . . . . . 41 ILE HD1 . 18469 1 526 . 1 1 41 41 ILE HD12 H 1 0.760 0.02 . 1 . . . . . 41 ILE HD1 . 18469 1 527 . 1 1 41 41 ILE HD13 H 1 0.760 0.02 . 1 . . . . . 41 ILE HD1 . 18469 1 528 . 1 1 41 41 ILE C C 13 174.115 0.2 . 1 . . . . . 41 ILE C . 18469 1 529 . 1 1 41 41 ILE CA C 13 60.687 0.2 . 1 . . . . . 41 ILE CA . 18469 1 530 . 1 1 41 41 ILE CB C 13 39.944 0.2 . 1 . . . . . 41 ILE CB . 18469 1 531 . 1 1 41 41 ILE CG1 C 13 28.663 0.2 . 1 . . . . . 41 ILE CG1 . 18469 1 532 . 1 1 41 41 ILE CG2 C 13 17.936 0.2 . 1 . . . . . 41 ILE CG2 . 18469 1 533 . 1 1 41 41 ILE CD1 C 13 12.863 0.2 . 1 . . . . . 41 ILE CD1 . 18469 1 534 . 1 1 41 41 ILE N N 15 126.303 0.2 . 1 . . . . . 41 ILE N . 18469 1 535 . 1 1 42 42 ARG H H 1 8.443 0.02 . 1 . . . . . 42 ARG H . 18469 1 536 . 1 1 42 42 ARG HA H 1 4.773 0.02 . 1 . . . . . 42 ARG HA . 18469 1 537 . 1 1 42 42 ARG HB2 H 1 2.089 0.02 . 2 . . . . . 42 ARG HB2 . 18469 1 538 . 1 1 42 42 ARG HB3 H 1 1.767 0.02 . 2 . . . . . 42 ARG HB3 . 18469 1 539 . 1 1 42 42 ARG C C 13 174.065 0.2 . 1 . . . . . 42 ARG C . 18469 1 540 . 1 1 42 42 ARG CA C 13 55.420 0.2 . 1 . . . . . 42 ARG CA . 18469 1 541 . 1 1 42 42 ARG CB C 13 32.665 0.2 . 1 . . . . . 42 ARG CB . 18469 1 542 . 1 1 42 42 ARG N N 15 122.554 0.2 . 1 . . . . . 42 ARG N . 18469 1 543 . 1 1 43 43 THR H H 1 7.429 0.02 . 1 . . . . . 43 THR H . 18469 1 544 . 1 1 43 43 THR HA H 1 5.538 0.02 . 1 . . . . . 43 THR HA . 18469 1 545 . 1 1 43 43 THR HB H 1 4.157 0.02 . 1 . . . . . 43 THR HB . 18469 1 546 . 1 1 43 43 THR HG21 H 1 1.330 0.02 . 1 . . . . . 43 THR HG2 . 18469 1 547 . 1 1 43 43 THR HG22 H 1 1.330 0.02 . 1 . . . . . 43 THR HG2 . 18469 1 548 . 1 1 43 43 THR HG23 H 1 1.330 0.02 . 1 . . . . . 43 THR HG2 . 18469 1 549 . 1 1 43 43 THR C C 13 173.294 0.2 . 1 . . . . . 43 THR C . 18469 1 550 . 1 1 43 43 THR CA C 13 61.091 0.2 . 1 . . . . . 43 THR CA . 18469 1 551 . 1 1 43 43 THR CB C 13 69.874 0.2 . 1 . . . . . 43 THR CB . 18469 1 552 . 1 1 43 43 THR CG2 C 13 23.133 0.2 . 1 . . . . . 43 THR CG2 . 18469 1 553 . 1 1 43 43 THR N N 15 113.738 0.2 . 1 . . . . . 43 THR N . 18469 1 554 . 1 1 44 44 TRP H H 1 9.212 0.02 . 1 . . . . . 44 TRP H . 18469 1 555 . 1 1 44 44 TRP HA H 1 4.931 0.02 . 1 . . . . . 44 TRP HA . 18469 1 556 . 1 1 44 44 TRP HB2 H 1 2.583 0.02 . 2 . . . . . 44 TRP HB2 . 18469 1 557 . 1 1 44 44 TRP HB3 H 1 2.994 0.02 . 2 . . . . . 44 TRP HB3 . 18469 1 558 . 1 1 44 44 TRP HD1 H 1 7.099 0.02 . 1 . . . . . 44 TRP HD1 . 18469 1 559 . 1 1 44 44 TRP HE1 H 1 11.150 0.02 . 1 . . . . . 44 TRP HE1 . 18469 1 560 . 1 1 44 44 TRP HE3 H 1 7.241 0.02 . 1 . . . . . 44 TRP HE3 . 18469 1 561 . 1 1 44 44 TRP HZ2 H 1 7.088 0.02 . 1 . . . . . 44 TRP HZ2 . 18469 1 562 . 1 1 44 44 TRP HZ3 H 1 6.438 0.02 . 1 . . . . . 44 TRP HZ3 . 18469 1 563 . 1 1 44 44 TRP HH2 H 1 6.062 0.02 . 1 . . . . . 44 TRP HH2 . 18469 1 564 . 1 1 44 44 TRP C C 13 175.010 0.2 . 1 . . . . . 44 TRP C . 18469 1 565 . 1 1 44 44 TRP CA C 13 55.929 0.2 . 1 . . . . . 44 TRP CA . 18469 1 566 . 1 1 44 44 TRP CB C 13 34.749 0.2 . 1 . . . . . 44 TRP CB . 18469 1 567 . 1 1 44 44 TRP CD1 C 13 128.328 0.2 . 1 . . . . . 44 TRP CD1 . 18469 1 568 . 1 1 44 44 TRP CE3 C 13 119.841 0.2 . 1 . . . . . 44 TRP CE3 . 18469 1 569 . 1 1 44 44 TRP CZ2 C 13 112.913 0.2 . 1 . . . . . 44 TRP CZ2 . 18469 1 570 . 1 1 44 44 TRP CZ3 C 13 123.366 0.2 . 1 . . . . . 44 TRP CZ3 . 18469 1 571 . 1 1 44 44 TRP CH2 C 13 123.876 0.2 . 1 . . . . . 44 TRP CH2 . 18469 1 572 . 1 1 44 44 TRP N N 15 123.561 0.2 . 1 . . . . . 44 TRP N . 18469 1 573 . 1 1 44 44 TRP NE1 N 15 131.412 0.2 . 1 . . . . . 44 TRP NE1 . 18469 1 574 . 1 1 45 45 SER H H 1 7.812 0.02 . 1 . . . . . 45 SER H . 18469 1 575 . 1 1 45 45 SER HA H 1 2.498 0.02 . 1 . . . . . 45 SER HA . 18469 1 576 . 1 1 45 45 SER HB2 H 1 3.703 0.02 . 2 . . . . . 45 SER HB2 . 18469 1 577 . 1 1 45 45 SER HB3 H 1 2.389 0.02 . 2 . . . . . 45 SER HB3 . 18469 1 578 . 1 1 45 45 SER CA C 13 56.620 0.2 . 1 . . . . . 45 SER CA . 18469 1 579 . 1 1 45 45 SER CB C 13 60.770 0.2 . 1 . . . . . 45 SER CB . 18469 1 580 . 1 1 45 45 SER N N 15 116.992 0.2 . 1 . . . . . 45 SER N . 18469 1 581 . 1 1 46 46 PRO HA H 1 4.102 0.02 . 1 . . . . . 46 PRO HA . 18469 1 582 . 1 1 46 46 PRO HB2 H 1 2.307 0.02 . 2 . . . . . 46 PRO HB2 . 18469 1 583 . 1 1 46 46 PRO HB3 H 1 1.822 0.02 . 2 . . . . . 46 PRO HB3 . 18469 1 584 . 1 1 46 46 PRO HG2 H 1 2.095 0.02 . 2 . . . . . 46 PRO HG2 . 18469 1 585 . 1 1 46 46 PRO HG3 H 1 2.008 0.02 . 2 . . . . . 46 PRO HG3 . 18469 1 586 . 1 1 46 46 PRO HD2 H 1 3.421 0.02 . 2 . . . . . 46 PRO HD2 . 18469 1 587 . 1 1 46 46 PRO HD3 H 1 3.036 0.02 . 2 . . . . . 46 PRO HD3 . 18469 1 588 . 1 1 46 46 PRO CA C 13 64.958 0.2 . 1 . . . . . 46 PRO CA . 18469 1 589 . 1 1 46 46 PRO CB C 13 31.257 0.2 . 1 . . . . . 46 PRO CB . 18469 1 590 . 1 1 46 46 PRO CG C 13 27.589 0.2 . 1 . . . . . 46 PRO CG . 18469 1 591 . 1 1 46 46 PRO CD C 13 49.965 0.2 . 1 . . . . . 46 PRO CD . 18469 1 592 . 1 1 47 47 ASP HA H 1 4.480 0.02 . 1 . . . . . 47 ASP HA . 18469 1 593 . 1 1 47 47 ASP HB2 H 1 2.668 0.02 . 2 . . . . . 47 ASP HB2 . 18469 1 594 . 1 1 47 47 ASP HB3 H 1 2.986 0.02 . 2 . . . . . 47 ASP HB3 . 18469 1 595 . 1 1 47 47 ASP C C 13 175.629 0.2 . 1 . . . . . 47 ASP C . 18469 1 596 . 1 1 47 47 ASP CA C 13 53.551 0.2 . 1 . . . . . 47 ASP CA . 18469 1 597 . 1 1 47 47 ASP CB C 13 40.136 0.2 . 1 . . . . . 47 ASP CB . 18469 1 598 . 1 1 48 48 HIS H H 1 8.209 0.02 . 1 . . . . . 48 HIS H . 18469 1 599 . 1 1 48 48 HIS HA H 1 3.841 0.02 . 1 . . . . . 48 HIS HA . 18469 1 600 . 1 1 48 48 HIS HB2 H 1 3.249 0.02 . 2 . . . . . 48 HIS HB2 . 18469 1 601 . 1 1 48 48 HIS HB3 H 1 3.122 0.02 . 2 . . . . . 48 HIS HB3 . 18469 1 602 . 1 1 48 48 HIS HD2 H 1 5.504 0.02 . 1 . . . . . 48 HIS HD2 . 18469 1 603 . 1 1 48 48 HIS HE1 H 1 8.148 0.02 . 1 . . . . . 48 HIS HE1 . 18469 1 604 . 1 1 48 48 HIS C C 13 172.950 0.2 . 1 . . . . . 48 HIS C . 18469 1 605 . 1 1 48 48 HIS CA C 13 60.135 0.2 . 1 . . . . . 48 HIS CA . 18469 1 606 . 1 1 48 48 HIS CB C 13 25.474 0.2 . 1 . . . . . 48 HIS CB . 18469 1 607 . 1 1 48 48 HIS CD2 C 13 118.777 0.2 . 1 . . . . . 48 HIS CD2 . 18469 1 608 . 1 1 48 48 HIS CE1 C 13 135.123 0.2 . 1 . . . . . 48 HIS CE1 . 18469 1 609 . 1 1 48 48 HIS N N 15 111.027 0.2 . 1 . . . . . 48 HIS N . 18469 1 610 . 1 1 49 49 GLU H H 1 7.381 0.02 . 1 . . . . . 49 GLU H . 18469 1 611 . 1 1 49 49 GLU HA H 1 4.386 0.02 . 1 . . . . . 49 GLU HA . 18469 1 612 . 1 1 49 49 GLU HB2 H 1 1.885 0.02 . 2 . . . . . 49 GLU HB2 . 18469 1 613 . 1 1 49 49 GLU HB3 H 1 2.085 0.02 . 2 . . . . . 49 GLU HB3 . 18469 1 614 . 1 1 49 49 GLU HG2 H 1 2.307 0.02 . 2 . . . . . 49 GLU HG2 . 18469 1 615 . 1 1 49 49 GLU HG3 H 1 2.136 0.02 . 2 . . . . . 49 GLU HG3 . 18469 1 616 . 1 1 49 49 GLU C C 13 176.532 0.2 . 1 . . . . . 49 GLU C . 18469 1 617 . 1 1 49 49 GLU CA C 13 58.216 0.2 . 1 . . . . . 49 GLU CA . 18469 1 618 . 1 1 49 49 GLU CB C 13 30.663 0.2 . 1 . . . . . 49 GLU CB . 18469 1 619 . 1 1 49 49 GLU CG C 13 36.475 0.2 . 1 . . . . . 49 GLU CG . 18469 1 620 . 1 1 49 49 GLU N N 15 114.689 0.2 . 1 . . . . . 49 GLU N . 18469 1 621 . 1 1 50 50 LYS H H 1 8.087 0.02 . 1 . . . . . 50 LYS H . 18469 1 622 . 1 1 50 50 LYS HA H 1 4.665 0.02 . 1 . . . . . 50 LYS HA . 18469 1 623 . 1 1 50 50 LYS HB2 H 1 1.447 0.02 . 2 . . . . . 50 LYS HB2 . 18469 1 624 . 1 1 50 50 LYS HB3 H 1 2.023 0.02 . 2 . . . . . 50 LYS HB3 . 18469 1 625 . 1 1 50 50 LYS HG2 H 1 1.500 0.02 . 2 . . . . . 50 LYS HG2 . 18469 1 626 . 1 1 50 50 LYS HG3 H 1 1.431 0.02 . 2 . . . . . 50 LYS HG3 . 18469 1 627 . 1 1 50 50 LYS HD2 H 1 1.894 0.02 . 2 . . . . . 50 LYS HD2 . 18469 1 628 . 1 1 50 50 LYS HD3 H 1 1.783 0.02 . 2 . . . . . 50 LYS HD3 . 18469 1 629 . 1 1 50 50 LYS HE2 H 1 3.085 0.02 . 2 . . . . . 50 LYS HE2 . 18469 1 630 . 1 1 50 50 LYS HE3 H 1 3.085 0.02 . 2 . . . . . 50 LYS HE3 . 18469 1 631 . 1 1 50 50 LYS C C 13 173.557 0.2 . 1 . . . . . 50 LYS C . 18469 1 632 . 1 1 50 50 LYS CA C 13 54.372 0.2 . 1 . . . . . 50 LYS CA . 18469 1 633 . 1 1 50 50 LYS CB C 13 36.501 0.2 . 1 . . . . . 50 LYS CB . 18469 1 634 . 1 1 50 50 LYS CG C 13 25.396 0.2 . 1 . . . . . 50 LYS CG . 18469 1 635 . 1 1 50 50 LYS CD C 13 29.437 0.2 . 1 . . . . . 50 LYS CD . 18469 1 636 . 1 1 50 50 LYS CE C 13 42.518 0.2 . 1 . . . . . 50 LYS CE . 18469 1 637 . 1 1 50 50 LYS N N 15 117.668 0.2 . 1 . . . . . 50 LYS N . 18469 1 638 . 1 1 51 51 MET H H 1 8.300 0.02 . 1 . . . . . 51 MET H . 18469 1 639 . 1 1 51 51 MET HA H 1 4.936 0.02 . 1 . . . . . 51 MET HA . 18469 1 640 . 1 1 51 51 MET HB2 H 1 1.176 0.02 . 2 . . . . . 51 MET HB2 . 18469 1 641 . 1 1 51 51 MET HB3 H 1 0.970 0.02 . 2 . . . . . 51 MET HB3 . 18469 1 642 . 1 1 51 51 MET HG2 H 1 2.183 0.02 . 2 . . . . . 51 MET HG2 . 18469 1 643 . 1 1 51 51 MET HG3 H 1 1.975 0.02 . 2 . . . . . 51 MET HG3 . 18469 1 644 . 1 1 51 51 MET HE1 H 1 1.685 0.02 . 1 . . . . . 51 MET HE . 18469 1 645 . 1 1 51 51 MET HE2 H 1 1.685 0.02 . 1 . . . . . 51 MET HE . 18469 1 646 . 1 1 51 51 MET HE3 H 1 1.685 0.02 . 1 . . . . . 51 MET HE . 18469 1 647 . 1 1 51 51 MET C C 13 175.570 0.2 . 1 . . . . . 51 MET C . 18469 1 648 . 1 1 51 51 MET CA C 13 54.048 0.2 . 1 . . . . . 51 MET CA . 18469 1 649 . 1 1 51 51 MET CB C 13 33.768 0.2 . 1 . . . . . 51 MET CB . 18469 1 650 . 1 1 51 51 MET CG C 13 30.886 0.2 . 1 . . . . . 51 MET CG . 18469 1 651 . 1 1 51 51 MET CE C 13 17.654 0.2 . 1 . . . . . 51 MET CE . 18469 1 652 . 1 1 51 51 MET N N 15 117.243 0.2 . 1 . . . . . 51 MET N . 18469 1 653 . 1 1 52 52 GLY H H 1 8.382 0.02 . 1 . . . . . 52 GLY H . 18469 1 654 . 1 1 52 52 GLY HA2 H 1 4.487 0.02 . 2 . . . . . 52 GLY HA2 . 18469 1 655 . 1 1 52 52 GLY HA3 H 1 3.673 0.02 . 2 . . . . . 52 GLY HA3 . 18469 1 656 . 1 1 52 52 GLY C C 13 173.484 0.2 . 1 . . . . . 52 GLY C . 18469 1 657 . 1 1 52 52 GLY CA C 13 43.036 0.2 . 1 . . . . . 52 GLY CA . 18469 1 658 . 1 1 52 52 GLY N N 15 110.357 0.2 . 1 . . . . . 52 GLY N . 18469 1 659 . 1 1 53 53 LYS H H 1 8.162 0.02 . 1 . . . . . 53 LYS H . 18469 1 660 . 1 1 53 53 LYS HA H 1 4.149 0.02 . 1 . . . . . 53 LYS HA . 18469 1 661 . 1 1 53 53 LYS HB2 H 1 1.925 0.02 . 2 . . . . . 53 LYS HB2 . 18469 1 662 . 1 1 53 53 LYS HB3 H 1 1.723 0.02 . 2 . . . . . 53 LYS HB3 . 18469 1 663 . 1 1 53 53 LYS HG2 H 1 1.523 0.02 . 2 . . . . . 53 LYS HG2 . 18469 1 664 . 1 1 53 53 LYS HG3 H 1 1.525 0.02 . 2 . . . . . 53 LYS HG3 . 18469 1 665 . 1 1 53 53 LYS HD2 H 1 1.663 0.02 . 2 . . . . . 53 LYS HD2 . 18469 1 666 . 1 1 53 53 LYS HD3 H 1 1.663 0.02 . 2 . . . . . 53 LYS HD3 . 18469 1 667 . 1 1 53 53 LYS HE2 H 1 2.954 0.02 . 2 . . . . . 53 LYS HE2 . 18469 1 668 . 1 1 53 53 LYS HE3 H 1 2.954 0.02 . 2 . . . . . 53 LYS HE3 . 18469 1 669 . 1 1 53 53 LYS C C 13 177.127 0.2 . 1 . . . . . 53 LYS C . 18469 1 670 . 1 1 53 53 LYS CA C 13 56.491 0.2 . 1 . . . . . 53 LYS CA . 18469 1 671 . 1 1 53 53 LYS CB C 13 33.097 0.2 . 1 . . . . . 53 LYS CB . 18469 1 672 . 1 1 53 53 LYS CG C 13 25.242 0.2 . 1 . . . . . 53 LYS CG . 18469 1 673 . 1 1 53 53 LYS CD C 13 29.084 0.2 . 1 . . . . . 53 LYS CD . 18469 1 674 . 1 1 53 53 LYS CE C 13 42.201 0.2 . 1 . . . . . 53 LYS CE . 18469 1 675 . 1 1 53 53 LYS N N 15 119.938 0.2 . 1 . . . . . 53 LYS N . 18469 1 676 . 1 1 54 54 GLY H H 1 7.867 0.02 . 1 . . . . . 54 GLY H . 18469 1 677 . 1 1 54 54 GLY HA2 H 1 4.321 0.02 . 2 . . . . . 54 GLY HA2 . 18469 1 678 . 1 1 54 54 GLY HA3 H 1 4.160 0.02 . 2 . . . . . 54 GLY HA3 . 18469 1 679 . 1 1 54 54 GLY C C 13 170.988 0.2 . 1 . . . . . 54 GLY C . 18469 1 680 . 1 1 54 54 GLY CA C 13 46.625 0.2 . 1 . . . . . 54 GLY CA . 18469 1 681 . 1 1 54 54 GLY N N 15 109.246 0.2 . 1 . . . . . 54 GLY N . 18469 1 682 . 1 1 55 55 ILE H H 1 8.655 0.02 . 1 . . . . . 55 ILE H . 18469 1 683 . 1 1 55 55 ILE HA H 1 4.755 0.02 . 1 . . . . . 55 ILE HA . 18469 1 684 . 1 1 55 55 ILE HB H 1 1.607 0.02 . 1 . . . . . 55 ILE HB . 18469 1 685 . 1 1 55 55 ILE HG12 H 1 1.623 0.02 . 2 . . . . . 55 ILE HG12 . 18469 1 686 . 1 1 55 55 ILE HG13 H 1 1.300 0.02 . 2 . . . . . 55 ILE HG13 . 18469 1 687 . 1 1 55 55 ILE HG21 H 1 0.783 0.02 . 1 . . . . . 55 ILE HG2 . 18469 1 688 . 1 1 55 55 ILE HG22 H 1 0.783 0.02 . 1 . . . . . 55 ILE HG2 . 18469 1 689 . 1 1 55 55 ILE HG23 H 1 0.783 0.02 . 1 . . . . . 55 ILE HG2 . 18469 1 690 . 1 1 55 55 ILE HD11 H 1 0.990 0.02 . 1 . . . . . 55 ILE HD1 . 18469 1 691 . 1 1 55 55 ILE HD12 H 1 0.990 0.02 . 1 . . . . . 55 ILE HD1 . 18469 1 692 . 1 1 55 55 ILE HD13 H 1 0.990 0.02 . 1 . . . . . 55 ILE HD1 . 18469 1 693 . 1 1 55 55 ILE C C 13 171.780 0.2 . 1 . . . . . 55 ILE C . 18469 1 694 . 1 1 55 55 ILE CA C 13 58.273 0.2 . 1 . . . . . 55 ILE CA . 18469 1 695 . 1 1 55 55 ILE CB C 13 43.644 0.2 . 1 . . . . . 55 ILE CB . 18469 1 696 . 1 1 55 55 ILE CG1 C 13 28.190 0.2 . 1 . . . . . 55 ILE CG1 . 18469 1 697 . 1 1 55 55 ILE CG2 C 13 17.681 0.2 . 1 . . . . . 55 ILE CG2 . 18469 1 698 . 1 1 55 55 ILE CD1 C 13 15.028 0.2 . 1 . . . . . 55 ILE CD1 . 18469 1 699 . 1 1 55 55 ILE N N 15 117.045 0.2 . 1 . . . . . 55 ILE N . 18469 1 700 . 1 1 56 56 THR H H 1 7.883 0.02 . 1 . . . . . 56 THR H . 18469 1 701 . 1 1 56 56 THR HA H 1 5.479 0.02 . 1 . . . . . 56 THR HA . 18469 1 702 . 1 1 56 56 THR HB H 1 4.103 0.02 . 1 . . . . . 56 THR HB . 18469 1 703 . 1 1 56 56 THR HG21 H 1 1.353 0.02 . 1 . . . . . 56 THR HG2 . 18469 1 704 . 1 1 56 56 THR HG22 H 1 1.353 0.02 . 1 . . . . . 56 THR HG2 . 18469 1 705 . 1 1 56 56 THR HG23 H 1 1.353 0.02 . 1 . . . . . 56 THR HG2 . 18469 1 706 . 1 1 56 56 THR C C 13 174.112 0.2 . 1 . . . . . 56 THR C . 18469 1 707 . 1 1 56 56 THR CA C 13 59.823 0.2 . 1 . . . . . 56 THR CA . 18469 1 708 . 1 1 56 56 THR CB C 13 71.838 0.2 . 1 . . . . . 56 THR CB . 18469 1 709 . 1 1 56 56 THR CG2 C 13 22.714 0.2 . 1 . . . . . 56 THR CG2 . 18469 1 710 . 1 1 56 56 THR N N 15 115.428 0.2 . 1 . . . . . 56 THR N . 18469 1 711 . 1 1 57 57 LEU H H 1 9.275 0.02 . 1 . . . . . 57 LEU H . 18469 1 712 . 1 1 57 57 LEU HA H 1 5.189 0.02 . 1 . . . . . 57 LEU HA . 18469 1 713 . 1 1 57 57 LEU HB2 H 1 1.833 0.02 . 2 . . . . . 57 LEU HB2 . 18469 1 714 . 1 1 57 57 LEU HB3 H 1 1.771 0.02 . 2 . . . . . 57 LEU HB3 . 18469 1 715 . 1 1 57 57 LEU HG H 1 1.599 0.02 . 1 . . . . . 57 LEU HG . 18469 1 716 . 1 1 57 57 LEU HD11 H 1 0.843 0.02 . 1 . . . . . 57 LEU HD1 . 18469 1 717 . 1 1 57 57 LEU HD12 H 1 0.843 0.02 . 1 . . . . . 57 LEU HD1 . 18469 1 718 . 1 1 57 57 LEU HD13 H 1 0.843 0.02 . 1 . . . . . 57 LEU HD1 . 18469 1 719 . 1 1 57 57 LEU HD21 H 1 0.846 0.02 . 1 . . . . . 57 LEU HD2 . 18469 1 720 . 1 1 57 57 LEU HD22 H 1 0.846 0.02 . 1 . . . . . 57 LEU HD2 . 18469 1 721 . 1 1 57 57 LEU HD23 H 1 0.846 0.02 . 1 . . . . . 57 LEU HD2 . 18469 1 722 . 1 1 57 57 LEU C C 13 176.000 0.2 . 1 . . . . . 57 LEU C . 18469 1 723 . 1 1 57 57 LEU CA C 13 53.293 0.2 . 1 . . . . . 57 LEU CA . 18469 1 724 . 1 1 57 57 LEU CB C 13 45.644 0.2 . 1 . . . . . 57 LEU CB . 18469 1 725 . 1 1 57 57 LEU CG C 13 27.643 0.2 . 1 . . . . . 57 LEU CG . 18469 1 726 . 1 1 57 57 LEU CD1 C 13 25.790 0.2 . 1 . . . . . 57 LEU CD1 . 18469 1 727 . 1 1 57 57 LEU CD2 C 13 25.800 0.2 . 1 . . . . . 57 LEU CD2 . 18469 1 728 . 1 1 57 57 LEU N N 15 122.581 0.2 . 1 . . . . . 57 LEU N . 18469 1 729 . 1 1 58 58 SER H H 1 9.589 0.02 . 1 . . . . . 58 SER H . 18469 1 730 . 1 1 58 58 SER HA H 1 4.686 0.02 . 1 . . . . . 58 SER HA . 18469 1 731 . 1 1 58 58 SER HB2 H 1 4.645 0.02 . 2 . . . . . 58 SER HB2 . 18469 1 732 . 1 1 58 58 SER HB3 H 1 4.143 0.02 . 2 . . . . . 58 SER HB3 . 18469 1 733 . 1 1 58 58 SER C C 13 174.780 0.2 . 1 . . . . . 58 SER C . 18469 1 734 . 1 1 58 58 SER CA C 13 56.782 0.2 . 1 . . . . . 58 SER CA . 18469 1 735 . 1 1 58 58 SER CB C 13 65.665 0.2 . 1 . . . . . 58 SER CB . 18469 1 736 . 1 1 58 58 SER N N 15 118.986 0.2 . 1 . . . . . 58 SER N . 18469 1 737 . 1 1 59 59 GLU H H 1 9.452 0.02 . 1 . . . . . 59 GLU H . 18469 1 738 . 1 1 59 59 GLU HA H 1 4.276 0.02 . 1 . . . . . 59 GLU HA . 18469 1 739 . 1 1 59 59 GLU HB2 H 1 2.296 0.02 . 2 . . . . . 59 GLU HB2 . 18469 1 740 . 1 1 59 59 GLU HB3 H 1 2.246 0.02 . 2 . . . . . 59 GLU HB3 . 18469 1 741 . 1 1 59 59 GLU HG2 H 1 2.509 0.02 . 2 . . . . . 59 GLU HG2 . 18469 1 742 . 1 1 59 59 GLU HG3 H 1 2.526 0.02 . 2 . . . . . 59 GLU HG3 . 18469 1 743 . 1 1 59 59 GLU C C 13 179.785 0.2 . 1 . . . . . 59 GLU C . 18469 1 744 . 1 1 59 59 GLU CA C 13 60.787 0.2 . 1 . . . . . 59 GLU CA . 18469 1 745 . 1 1 59 59 GLU CB C 13 29.450 0.2 . 1 . . . . . 59 GLU CB . 18469 1 746 . 1 1 59 59 GLU CG C 13 36.417 0.2 . 1 . . . . . 59 GLU CG . 18469 1 747 . 1 1 59 59 GLU N N 15 121.098 0.2 . 1 . . . . . 59 GLU N . 18469 1 748 . 1 1 60 60 GLU H H 1 9.006 0.02 . 1 . . . . . 60 GLU H . 18469 1 749 . 1 1 60 60 GLU HA H 1 4.154 0.02 . 1 . . . . . 60 GLU HA . 18469 1 750 . 1 1 60 60 GLU HB2 H 1 2.154 0.02 . 2 . . . . . 60 GLU HB2 . 18469 1 751 . 1 1 60 60 GLU HB3 H 1 2.051 0.02 . 2 . . . . . 60 GLU HB3 . 18469 1 752 . 1 1 60 60 GLU HG2 H 1 2.480 0.02 . 2 . . . . . 60 GLU HG2 . 18469 1 753 . 1 1 60 60 GLU HG3 H 1 2.380 0.02 . 2 . . . . . 60 GLU HG3 . 18469 1 754 . 1 1 60 60 GLU C C 13 179.716 0.2 . 1 . . . . . 60 GLU C . 18469 1 755 . 1 1 60 60 GLU CA C 13 60.319 0.2 . 1 . . . . . 60 GLU CA . 18469 1 756 . 1 1 60 60 GLU CB C 13 29.318 0.2 . 1 . . . . . 60 GLU CB . 18469 1 757 . 1 1 60 60 GLU CG C 13 36.963 0.2 . 1 . . . . . 60 GLU CG . 18469 1 758 . 1 1 60 60 GLU N N 15 119.721 0.2 . 1 . . . . . 60 GLU N . 18469 1 759 . 1 1 61 61 GLU H H 1 7.975 0.02 . 1 . . . . . 61 GLU H . 18469 1 760 . 1 1 61 61 GLU HA H 1 4.017 0.02 . 1 . . . . . 61 GLU HA . 18469 1 761 . 1 1 61 61 GLU HB2 H 1 2.596 0.02 . 2 . . . . . 61 GLU HB2 . 18469 1 762 . 1 1 61 61 GLU HB3 H 1 1.767 0.02 . 2 . . . . . 61 GLU HB3 . 18469 1 763 . 1 1 61 61 GLU HG2 H 1 2.530 0.02 . 2 . . . . . 61 GLU HG2 . 18469 1 764 . 1 1 61 61 GLU HG3 H 1 2.130 0.02 . 2 . . . . . 61 GLU HG3 . 18469 1 765 . 1 1 61 61 GLU C C 13 178.482 0.2 . 1 . . . . . 61 GLU C . 18469 1 766 . 1 1 61 61 GLU CA C 13 58.918 0.2 . 1 . . . . . 61 GLU CA . 18469 1 767 . 1 1 61 61 GLU CB C 13 30.976 0.2 . 1 . . . . . 61 GLU CB . 18469 1 768 . 1 1 61 61 GLU CG C 13 37.631 0.2 . 1 . . . . . 61 GLU CG . 18469 1 769 . 1 1 61 61 GLU N N 15 120.037 0.2 . 1 . . . . . 61 GLU N . 18469 1 770 . 1 1 62 62 PHE H H 1 9.056 0.02 . 1 . . . . . 62 PHE H . 18469 1 771 . 1 1 62 62 PHE HA H 1 3.891 0.02 . 1 . . . . . 62 PHE HA . 18469 1 772 . 1 1 62 62 PHE HB2 H 1 2.754 0.02 . 2 . . . . . 62 PHE HB2 . 18469 1 773 . 1 1 62 62 PHE HB3 H 1 2.635 0.02 . 2 . . . . . 62 PHE HB3 . 18469 1 774 . 1 1 62 62 PHE HD1 H 1 6.572 0.02 . 3 . . . . . 62 PHE HD1 . 18469 1 775 . 1 1 62 62 PHE HD2 H 1 6.572 0.02 . 3 . . . . . 62 PHE HD2 . 18469 1 776 . 1 1 62 62 PHE HE1 H 1 6.773 0.02 . 3 . . . . . 62 PHE HE1 . 18469 1 777 . 1 1 62 62 PHE HE2 H 1 6.773 0.02 . 3 . . . . . 62 PHE HE2 . 18469 1 778 . 1 1 62 62 PHE HZ H 1 6.725 0.02 . 1 . . . . . 62 PHE HZ . 18469 1 779 . 1 1 62 62 PHE C C 13 176.733 0.2 . 1 . . . . . 62 PHE C . 18469 1 780 . 1 1 62 62 PHE CA C 13 61.764 0.2 . 1 . . . . . 62 PHE CA . 18469 1 781 . 1 1 62 62 PHE CB C 13 40.157 0.2 . 1 . . . . . 62 PHE CB . 18469 1 782 . 1 1 62 62 PHE CD1 C 13 130.956 0.2 . 3 . . . . . 62 PHE CD1 . 18469 1 783 . 1 1 62 62 PHE CD2 C 13 130.956 0.2 . 3 . . . . . 62 PHE CD2 . 18469 1 784 . 1 1 62 62 PHE CE1 C 13 129.958 0.2 . 3 . . . . . 62 PHE CE1 . 18469 1 785 . 1 1 62 62 PHE CE2 C 13 129.958 0.2 . 3 . . . . . 62 PHE CE2 . 18469 1 786 . 1 1 62 62 PHE CZ C 13 128.047 0.2 . 1 . . . . . 62 PHE CZ . 18469 1 787 . 1 1 62 62 PHE N N 15 119.768 0.2 . 1 . . . . . 62 PHE N . 18469 1 788 . 1 1 63 63 GLY H H 1 8.306 0.02 . 1 . . . . . 63 GLY H . 18469 1 789 . 1 1 63 63 GLY HA2 H 1 3.653 0.02 . 2 . . . . . 63 GLY HA2 . 18469 1 790 . 1 1 63 63 GLY HA3 H 1 3.933 0.02 . 2 . . . . . 63 GLY HA3 . 18469 1 791 . 1 1 63 63 GLY C C 13 176.811 0.2 . 1 . . . . . 63 GLY C . 18469 1 792 . 1 1 63 63 GLY CA C 13 47.233 0.2 . 1 . . . . . 63 GLY CA . 18469 1 793 . 1 1 63 63 GLY N N 15 104.837 0.2 . 1 . . . . . 63 GLY N . 18469 1 794 . 1 1 64 64 VAL H H 1 7.740 0.02 . 1 . . . . . 64 VAL H . 18469 1 795 . 1 1 64 64 VAL HA H 1 3.644 0.02 . 1 . . . . . 64 VAL HA . 18469 1 796 . 1 1 64 64 VAL HB H 1 2.303 0.02 . 1 . . . . . 64 VAL HB . 18469 1 797 . 1 1 64 64 VAL HG11 H 1 1.067 0.02 . 1 . . . . . 64 VAL HG1 . 18469 1 798 . 1 1 64 64 VAL HG12 H 1 1.067 0.02 . 1 . . . . . 64 VAL HG1 . 18469 1 799 . 1 1 64 64 VAL HG13 H 1 1.067 0.02 . 1 . . . . . 64 VAL HG1 . 18469 1 800 . 1 1 64 64 VAL HG21 H 1 1.195 0.02 . 1 . . . . . 64 VAL HG2 . 18469 1 801 . 1 1 64 64 VAL HG22 H 1 1.195 0.02 . 1 . . . . . 64 VAL HG2 . 18469 1 802 . 1 1 64 64 VAL HG23 H 1 1.195 0.02 . 1 . . . . . 64 VAL HG2 . 18469 1 803 . 1 1 64 64 VAL C C 13 177.596 0.2 . 1 . . . . . 64 VAL C . 18469 1 804 . 1 1 64 64 VAL CA C 13 66.992 0.2 . 1 . . . . . 64 VAL CA . 18469 1 805 . 1 1 64 64 VAL CB C 13 31.375 0.2 . 1 . . . . . 64 VAL CB . 18469 1 806 . 1 1 64 64 VAL CG1 C 13 22.340 0.2 . 1 . . . . . 64 VAL CG1 . 18469 1 807 . 1 1 64 64 VAL CG2 C 13 22.724 0.2 . 1 . . . . . 64 VAL CG2 . 18469 1 808 . 1 1 64 64 VAL N N 15 123.648 0.2 . 1 . . . . . 64 VAL N . 18469 1 809 . 1 1 65 65 LEU H H 1 7.618 0.02 . 1 . . . . . 65 LEU H . 18469 1 810 . 1 1 65 65 LEU HA H 1 3.632 0.02 . 1 . . . . . 65 LEU HA . 18469 1 811 . 1 1 65 65 LEU HB2 H 1 1.785 0.02 . 2 . . . . . 65 LEU HB2 . 18469 1 812 . 1 1 65 65 LEU HB3 H 1 1.356 0.02 . 2 . . . . . 65 LEU HB3 . 18469 1 813 . 1 1 65 65 LEU HG H 1 1.304 0.02 . 1 . . . . . 65 LEU HG . 18469 1 814 . 1 1 65 65 LEU HD11 H 1 0.725 0.02 . 1 . . . . . 65 LEU HD1 . 18469 1 815 . 1 1 65 65 LEU HD12 H 1 0.725 0.02 . 1 . . . . . 65 LEU HD1 . 18469 1 816 . 1 1 65 65 LEU HD13 H 1 0.725 0.02 . 1 . . . . . 65 LEU HD1 . 18469 1 817 . 1 1 65 65 LEU HD21 H 1 0.565 0.02 . 1 . . . . . 65 LEU HD2 . 18469 1 818 . 1 1 65 65 LEU HD22 H 1 0.565 0.02 . 1 . . . . . 65 LEU HD2 . 18469 1 819 . 1 1 65 65 LEU HD23 H 1 0.565 0.02 . 1 . . . . . 65 LEU HD2 . 18469 1 820 . 1 1 65 65 LEU C C 13 177.583 0.2 . 1 . . . . . 65 LEU C . 18469 1 821 . 1 1 65 65 LEU CA C 13 58.683 0.2 . 1 . . . . . 65 LEU CA . 18469 1 822 . 1 1 65 65 LEU CB C 13 41.413 0.2 . 1 . . . . . 65 LEU CB . 18469 1 823 . 1 1 65 65 LEU CG C 13 26.351 0.2 . 1 . . . . . 65 LEU CG . 18469 1 824 . 1 1 65 65 LEU CD1 C 13 24.321 0.2 . 1 . . . . . 65 LEU CD1 . 18469 1 825 . 1 1 65 65 LEU CD2 C 13 25.008 0.2 . 1 . . . . . 65 LEU CD2 . 18469 1 826 . 1 1 65 65 LEU N N 15 120.072 0.2 . 1 . . . . . 65 LEU N . 18469 1 827 . 1 1 66 66 LEU H H 1 8.042 0.02 . 1 . . . . . 66 LEU H . 18469 1 828 . 1 1 66 66 LEU HA H 1 3.532 0.02 . 1 . . . . . 66 LEU HA . 18469 1 829 . 1 1 66 66 LEU HB2 H 1 1.409 0.02 . 2 . . . . . 66 LEU HB2 . 18469 1 830 . 1 1 66 66 LEU HB3 H 1 1.263 0.02 . 2 . . . . . 66 LEU HB3 . 18469 1 831 . 1 1 66 66 LEU HG H 1 1.184 0.02 . 1 . . . . . 66 LEU HG . 18469 1 832 . 1 1 66 66 LEU HD11 H 1 0.549 0.02 . 1 . . . . . 66 LEU HD1 . 18469 1 833 . 1 1 66 66 LEU HD12 H 1 0.549 0.02 . 1 . . . . . 66 LEU HD1 . 18469 1 834 . 1 1 66 66 LEU HD13 H 1 0.549 0.02 . 1 . . . . . 66 LEU HD1 . 18469 1 835 . 1 1 66 66 LEU HD21 H 1 0.464 0.02 . 1 . . . . . 66 LEU HD2 . 18469 1 836 . 1 1 66 66 LEU HD22 H 1 0.464 0.02 . 1 . . . . . 66 LEU HD2 . 18469 1 837 . 1 1 66 66 LEU HD23 H 1 0.464 0.02 . 1 . . . . . 66 LEU HD2 . 18469 1 838 . 1 1 66 66 LEU C C 13 179.698 0.2 . 1 . . . . . 66 LEU C . 18469 1 839 . 1 1 66 66 LEU CA C 13 57.979 0.2 . 1 . . . . . 66 LEU CA . 18469 1 840 . 1 1 66 66 LEU CB C 13 41.553 0.2 . 1 . . . . . 66 LEU CB . 18469 1 841 . 1 1 66 66 LEU CG C 13 26.215 0.2 . 1 . . . . . 66 LEU CG . 18469 1 842 . 1 1 66 66 LEU CD1 C 13 25.361 0.2 . 1 . . . . . 66 LEU CD1 . 18469 1 843 . 1 1 66 66 LEU CD2 C 13 23.776 0.2 . 1 . . . . . 66 LEU CD2 . 18469 1 844 . 1 1 66 66 LEU N N 15 115.729 0.2 . 1 . . . . . 66 LEU N . 18469 1 845 . 1 1 67 67 LYS H H 1 7.827 0.02 . 1 . . . . . 67 LYS H . 18469 1 846 . 1 1 67 67 LYS HA H 1 3.949 0.02 . 1 . . . . . 67 LYS HA . 18469 1 847 . 1 1 67 67 LYS HB2 H 1 1.944 0.02 . 2 . . . . . 67 LYS HB2 . 18469 1 848 . 1 1 67 67 LYS HB3 H 1 1.919 0.02 . 2 . . . . . 67 LYS HB3 . 18469 1 849 . 1 1 67 67 LYS HG2 H 1 1.473 0.02 . 2 . . . . . 67 LYS HG2 . 18469 1 850 . 1 1 67 67 LYS HG3 H 1 1.377 0.02 . 2 . . . . . 67 LYS HG3 . 18469 1 851 . 1 1 67 67 LYS HD2 H 1 1.673 0.02 . 2 . . . . . 67 LYS HD2 . 18469 1 852 . 1 1 67 67 LYS HD3 H 1 1.673 0.02 . 2 . . . . . 67 LYS HD3 . 18469 1 853 . 1 1 67 67 LYS HE2 H 1 2.967 0.02 . 2 . . . . . 67 LYS HE2 . 18469 1 854 . 1 1 67 67 LYS HE3 H 1 2.967 0.02 . 2 . . . . . 67 LYS HE3 . 18469 1 855 . 1 1 67 67 LYS C C 13 179.377 0.2 . 1 . . . . . 67 LYS C . 18469 1 856 . 1 1 67 67 LYS CA C 13 59.113 0.2 . 1 . . . . . 67 LYS CA . 18469 1 857 . 1 1 67 67 LYS CB C 13 32.679 0.2 . 1 . . . . . 67 LYS CB . 18469 1 858 . 1 1 67 67 LYS CG C 13 24.873 0.2 . 1 . . . . . 67 LYS CG . 18469 1 859 . 1 1 67 67 LYS CD C 13 29.559 0.2 . 1 . . . . . 67 LYS CD . 18469 1 860 . 1 1 67 67 LYS CE C 13 42.192 0.2 . 1 . . . . . 67 LYS CE . 18469 1 861 . 1 1 67 67 LYS N N 15 119.141 0.2 . 1 . . . . . 67 LYS N . 18469 1 862 . 1 1 68 68 GLU H H 1 8.297 0.02 . 1 . . . . . 68 GLU H . 18469 1 863 . 1 1 68 68 GLU HA H 1 4.420 0.02 . 1 . . . . . 68 GLU HA . 18469 1 864 . 1 1 68 68 GLU HB2 H 1 2.070 0.02 . 2 . . . . . 68 GLU HB2 . 18469 1 865 . 1 1 68 68 GLU HB3 H 1 1.911 0.02 . 2 . . . . . 68 GLU HB3 . 18469 1 866 . 1 1 68 68 GLU HG2 H 1 2.174 0.02 . 2 . . . . . 68 GLU HG2 . 18469 1 867 . 1 1 68 68 GLU HG3 H 1 2.091 0.02 . 2 . . . . . 68 GLU HG3 . 18469 1 868 . 1 1 68 68 GLU C C 13 179.403 0.2 . 1 . . . . . 68 GLU C . 18469 1 869 . 1 1 68 68 GLU CA C 13 57.453 0.2 . 1 . . . . . 68 GLU CA . 18469 1 870 . 1 1 68 68 GLU CB C 13 29.679 0.2 . 1 . . . . . 68 GLU CB . 18469 1 871 . 1 1 68 68 GLU CG C 13 35.913 0.2 . 1 . . . . . 68 GLU CG . 18469 1 872 . 1 1 68 68 GLU N N 15 116.760 0.2 . 1 . . . . . 68 GLU N . 18469 1 873 . 1 1 69 69 LEU H H 1 8.188 0.02 . 1 . . . . . 69 LEU H . 18469 1 874 . 1 1 69 69 LEU HA H 1 4.069 0.02 . 1 . . . . . 69 LEU HA . 18469 1 875 . 1 1 69 69 LEU HB2 H 1 1.285 0.02 . 2 . . . . . 69 LEU HB2 . 18469 1 876 . 1 1 69 69 LEU HB3 H 1 1.707 0.02 . 2 . . . . . 69 LEU HB3 . 18469 1 877 . 1 1 69 69 LEU HG H 1 1.745 0.02 . 1 . . . . . 69 LEU HG . 18469 1 878 . 1 1 69 69 LEU HD11 H 1 0.572 0.02 . 1 . . . . . 69 LEU HD1 . 18469 1 879 . 1 1 69 69 LEU HD12 H 1 0.572 0.02 . 1 . . . . . 69 LEU HD1 . 18469 1 880 . 1 1 69 69 LEU HD13 H 1 0.572 0.02 . 1 . . . . . 69 LEU HD1 . 18469 1 881 . 1 1 69 69 LEU HD21 H 1 0.640 0.02 . 1 . . . . . 69 LEU HD2 . 18469 1 882 . 1 1 69 69 LEU HD22 H 1 0.640 0.02 . 1 . . . . . 69 LEU HD2 . 18469 1 883 . 1 1 69 69 LEU HD23 H 1 0.640 0.02 . 1 . . . . . 69 LEU HD2 . 18469 1 884 . 1 1 69 69 LEU C C 13 178.503 0.2 . 1 . . . . . 69 LEU C . 18469 1 885 . 1 1 69 69 LEU CA C 13 57.446 0.2 . 1 . . . . . 69 LEU CA . 18469 1 886 . 1 1 69 69 LEU CB C 13 41.363 0.2 . 1 . . . . . 69 LEU CB . 18469 1 887 . 1 1 69 69 LEU CG C 13 26.412 0.2 . 1 . . . . . 69 LEU CG . 18469 1 888 . 1 1 69 69 LEU CD1 C 13 25.520 0.2 . 1 . . . . . 69 LEU CD1 . 18469 1 889 . 1 1 69 69 LEU CD2 C 13 23.130 0.2 . 1 . . . . . 69 LEU CD2 . 18469 1 890 . 1 1 69 69 LEU N N 15 119.897 0.2 . 1 . . . . . 69 LEU N . 18469 1 891 . 1 1 70 70 GLY H H 1 7.945 0.02 . 1 . . . . . 70 GLY H . 18469 1 892 . 1 1 70 70 GLY HA2 H 1 3.813 0.02 . 2 . . . . . 70 GLY HA2 . 18469 1 893 . 1 1 70 70 GLY HA3 H 1 3.813 0.02 . 2 . . . . . 70 GLY HA3 . 18469 1 894 . 1 1 70 70 GLY C C 13 174.958 0.2 . 1 . . . . . 70 GLY C . 18469 1 895 . 1 1 70 70 GLY CA C 13 46.580 0.2 . 1 . . . . . 70 GLY CA . 18469 1 896 . 1 1 70 70 GLY N N 15 105.338 0.2 . 1 . . . . . 70 GLY N . 18469 1 897 . 1 1 71 71 ASN H H 1 7.819 0.02 . 1 . . . . . 71 ASN H . 18469 1 898 . 1 1 71 71 ASN HA H 1 4.681 0.02 . 1 . . . . . 71 ASN HA . 18469 1 899 . 1 1 71 71 ASN HB2 H 1 2.903 0.02 . 2 . . . . . 71 ASN HB2 . 18469 1 900 . 1 1 71 71 ASN HB3 H 1 2.860 0.02 . 2 . . . . . 71 ASN HB3 . 18469 1 901 . 1 1 71 71 ASN HD21 H 1 7.787 0.02 . 1 . . . . . 71 ASN HD21 . 18469 1 902 . 1 1 71 71 ASN HD22 H 1 6.899 0.02 . 1 . . . . . 71 ASN HD22 . 18469 1 903 . 1 1 71 71 ASN C C 13 176.309 0.2 . 1 . . . . . 71 ASN C . 18469 1 904 . 1 1 71 71 ASN CA C 13 54.240 0.2 . 1 . . . . . 71 ASN CA . 18469 1 905 . 1 1 71 71 ASN CB C 13 38.729 0.2 . 1 . . . . . 71 ASN CB . 18469 1 906 . 1 1 71 71 ASN N N 15 118.578 0.2 . 1 . . . . . 71 ASN N . 18469 1 907 . 1 1 71 71 ASN ND2 N 15 113.126 0.2 . 1 . . . . . 71 ASN ND2 . 18469 1 908 . 1 1 72 72 LYS H H 1 8.130 0.02 . 1 . . . . . 72 LYS H . 18469 1 909 . 1 1 72 72 LYS HA H 1 4.228 0.02 . 1 . . . . . 72 LYS HA . 18469 1 910 . 1 1 72 72 LYS HB2 H 1 1.882 0.02 . 2 . . . . . 72 LYS HB2 . 18469 1 911 . 1 1 72 72 LYS HB3 H 1 1.882 0.02 . 2 . . . . . 72 LYS HB3 . 18469 1 912 . 1 1 72 72 LYS HG2 H 1 1.509 0.02 . 2 . . . . . 72 LYS HG2 . 18469 1 913 . 1 1 72 72 LYS HG3 H 1 1.509 0.02 . 2 . . . . . 72 LYS HG3 . 18469 1 914 . 1 1 72 72 LYS HD2 H 1 1.685 0.02 . 2 . . . . . 72 LYS HD2 . 18469 1 915 . 1 1 72 72 LYS HD3 H 1 1.685 0.02 . 2 . . . . . 72 LYS HD3 . 18469 1 916 . 1 1 72 72 LYS HE2 H 1 3.014 0.02 . 2 . . . . . 72 LYS HE2 . 18469 1 917 . 1 1 72 72 LYS HE3 H 1 3.014 0.02 . 2 . . . . . 72 LYS HE3 . 18469 1 918 . 1 1 72 72 LYS C C 13 177.458 0.2 . 1 . . . . . 72 LYS C . 18469 1 919 . 1 1 72 72 LYS CA C 13 57.445 0.2 . 1 . . . . . 72 LYS CA . 18469 1 920 . 1 1 72 72 LYS CB C 13 32.692 0.2 . 1 . . . . . 72 LYS CB . 18469 1 921 . 1 1 72 72 LYS CG C 13 25.154 0.2 . 1 . . . . . 72 LYS CG . 18469 1 922 . 1 1 72 72 LYS CD C 13 28.885 0.2 . 1 . . . . . 72 LYS CD . 18469 1 923 . 1 1 72 72 LYS CE C 13 42.138 0.2 . 1 . . . . . 72 LYS CE . 18469 1 924 . 1 1 72 72 LYS N N 15 119.895 0.2 . 1 . . . . . 72 LYS N . 18469 1 925 . 1 1 73 73 LEU H H 1 7.908 0.02 . 1 . . . . . 73 LEU H . 18469 1 926 . 1 1 73 73 LEU HA H 1 4.253 0.02 . 1 . . . . . 73 LEU HA . 18469 1 927 . 1 1 73 73 LEU HB2 H 1 1.715 0.02 . 2 . . . . . 73 LEU HB2 . 18469 1 928 . 1 1 73 73 LEU HB3 H 1 1.551 0.02 . 2 . . . . . 73 LEU HB3 . 18469 1 929 . 1 1 73 73 LEU HG H 1 1.608 0.02 . 1 . . . . . 73 LEU HG . 18469 1 930 . 1 1 73 73 LEU HD11 H 1 0.826 0.02 . 1 . . . . . 73 LEU HD1 . 18469 1 931 . 1 1 73 73 LEU HD12 H 1 0.826 0.02 . 1 . . . . . 73 LEU HD1 . 18469 1 932 . 1 1 73 73 LEU HD13 H 1 0.826 0.02 . 1 . . . . . 73 LEU HD1 . 18469 1 933 . 1 1 73 73 LEU HD21 H 1 0.802 0.02 . 1 . . . . . 73 LEU HD2 . 18469 1 934 . 1 1 73 73 LEU HD22 H 1 0.802 0.02 . 1 . . . . . 73 LEU HD2 . 18469 1 935 . 1 1 73 73 LEU HD23 H 1 0.802 0.02 . 1 . . . . . 73 LEU HD2 . 18469 1 936 . 1 1 73 73 LEU C C 13 177.435 0.2 . 1 . . . . . 73 LEU C . 18469 1 937 . 1 1 73 73 LEU CA C 13 55.774 0.2 . 1 . . . . . 73 LEU CA . 18469 1 938 . 1 1 73 73 LEU CB C 13 41.822 0.2 . 1 . . . . . 73 LEU CB . 18469 1 939 . 1 1 73 73 LEU CG C 13 26.948 0.2 . 1 . . . . . 73 LEU CG . 18469 1 940 . 1 1 73 73 LEU CD1 C 13 25.291 0.2 . 1 . . . . . 73 LEU CD1 . 18469 1 941 . 1 1 73 73 LEU CD2 C 13 23.604 0.2 . 1 . . . . . 73 LEU CD2 . 18469 1 942 . 1 1 73 73 LEU N N 15 118.963 0.2 . 1 . . . . . 73 LEU N . 18469 1 943 . 1 1 74 74 GLU H H 1 7.957 0.02 . 1 . . . . . 74 GLU H . 18469 1 944 . 1 1 74 74 GLU HA H 1 4.104 0.02 . 1 . . . . . 74 GLU HA . 18469 1 945 . 1 1 74 74 GLU HB2 H 1 1.910 0.02 . 2 . . . . . 74 GLU HB2 . 18469 1 946 . 1 1 74 74 GLU HB3 H 1 1.910 0.02 . 2 . . . . . 74 GLU HB3 . 18469 1 947 . 1 1 74 74 GLU HG2 H 1 2.179 0.02 . 2 . . . . . 74 GLU HG2 . 18469 1 948 . 1 1 74 74 GLU HG3 H 1 2.095 0.02 . 2 . . . . . 74 GLU HG3 . 18469 1 949 . 1 1 74 74 GLU C C 13 176.728 0.2 . 1 . . . . . 74 GLU C . 18469 1 950 . 1 1 74 74 GLU CA C 13 57.463 0.2 . 1 . . . . . 74 GLU CA . 18469 1 951 . 1 1 74 74 GLU CB C 13 29.924 0.2 . 1 . . . . . 74 GLU CB . 18469 1 952 . 1 1 74 74 GLU CG C 13 36.086 0.2 . 1 . . . . . 74 GLU CG . 18469 1 953 . 1 1 74 74 GLU N N 15 120.040 0.2 . 1 . . . . . 74 GLU N . 18469 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 18469 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name 3D-X-filt-13C-editedNOESY _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'ali chain A' . . 100 . . . . . . . 18469 1 2 . . H 1 'ali chain B' . . 12 . . . . . . . 18469 1 3 . . H 1 'ali chain A' . . 12 . . . . . . . 18469 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 80400.0 . volume 18469 1 2 43800.0 . volume 18469 1 3 48100.0 . volume 18469 1 4 41600.0 . volume 18469 1 5 90700.0 . volume 18469 1 6 116000.0 . volume 18469 1 7 153000.0 . volume 18469 1 8 135000.0 . volume 18469 1 9 107000.0 . volume 18469 1 10 43800.0 . volume 18469 1 11 48100.0 . volume 18469 1 12 38400.0 . volume 18469 1 13 71400.0 . volume 18469 1 14 41600.0 . volume 18469 1 15 127000.0 . volume 18469 1 16 65500.0 . volume 18469 1 17 51400.0 . volume 18469 1 18 70300.0 . volume 18469 1 19 31700.0 . volume 18469 1 20 89400.0 . volume 18469 1 21 52000.0 . volume 18469 1 22 80600.0 . volume 18469 1 23 31700.0 . volume 18469 1 24 82800.0 . volume 18469 1 25 128000.0 . volume 18469 1 26 29700.0 . volume 18469 1 27 35400.0 . volume 18469 1 28 26000.0 . volume 18469 1 29 27900.0 . volume 18469 1 30 38400.0 . volume 18469 1 31 34200.0 . volume 18469 1 32 37900.0 . volume 18469 1 33 135000.0 . volume 18469 1 34 24400.0 . volume 18469 1 35 28600.0 . volume 18469 1 36 40300.0 . volume 18469 1 37 68800.0 . volume 18469 1 38 39200.0 . volume 18469 1 39 40100.0 . volume 18469 1 40 32500.0 . volume 18469 1 41 297000.0 . volume 18469 1 42 69200.0 . volume 18469 1 43 64000.0 . volume 18469 1 44 25900.0 . volume 18469 1 45 24200.0 . volume 18469 1 46 39000.0 . volume 18469 1 47 63500.0 . volume 18469 1 48 36300.0 . volume 18469 1 49 65600.0 . volume 18469 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 0.76 . . . . . . . . . . . . . 18469 1 1 2 12.729 . . . . . . . . . . . . . 18469 1 1 3 0.751 . . . . . . . . . . . . . 18469 1 2 1 0.807 . . . . . . . . . . . . . 18469 1 2 2 23.649 . . . . . . . . . . . . . 18469 1 2 3 0.462 . . . . . . . . . . . . . 18469 1 3 1 0.816 . . . . . . . . . . . . . 18469 1 3 2 22.965 . . . . . . . . . . . . . 18469 1 3 3 0.64 . . . . . . . . . . . . . 18469 1 4 1 0.793 . . . . . . . . . . . . . 18469 1 4 2 22.576 . . . . . . . . . . . . . 18469 1 4 3 1.188 . . . . . . . . . . . . . 18469 1 5 1 1.063 . . . . . . . . . . . . . 18469 1 5 2 18.334 . . . . . . . . . . . . . 18469 1 5 3 0.771 . . . . . . . . . . . . . 18469 1 6 1 0.781 . . . . . . . . . . . . . 18469 1 6 2 17.663 . . . . . . . . . . . . . 18469 1 6 3 0.776 . . . . . . . . . . . . . 18469 1 7 1 0.789 . . . . . . . . . . . . . 18469 1 7 2 22.136 . . . . . . . . . . . . . 18469 1 7 3 1.056 . . . . . . . . . . . . . 18469 1 8 1 1.376 . . . . . . . . . . . . . 18469 1 8 2 24.548 . . . . . . . . . . . . . 18469 1 8 3 1.439 . . . . . . . . . . . . . 18469 1 9 1 0.771 . . . . . . . . . . . . . 18469 1 9 2 14.866 . . . . . . . . . . . . . 18469 1 9 3 0.984 . . . . . . . . . . . . . 18469 1 10 1 0.807 . . . . . . . . . . . . . 18469 1 10 2 23.649 . . . . . . . . . . . . . 18469 1 10 3 0.462 . . . . . . . . . . . . . 18469 1 11 1 0.816 . . . . . . . . . . . . . 18469 1 11 2 22.965 . . . . . . . . . . . . . 18469 1 11 3 0.64 . . . . . . . . . . . . . 18469 1 12 1 0.555 . . . . . . . . . . . . . 18469 1 12 2 23.838 . . . . . . . . . . . . . 18469 1 12 3 0.796 . . . . . . . . . . . . . 18469 1 13 1 0.79 . . . . . . . . . . . . . 18469 1 13 2 24.965 . . . . . . . . . . . . . 18469 1 13 3 0.558 . . . . . . . . . . . . . 18469 1 14 1 0.793 . . . . . . . . . . . . . 18469 1 14 2 22.575 . . . . . . . . . . . . . 18469 1 14 3 1.188 . . . . . . . . . . . . . 18469 1 15 1 0.79 . . . . . . . . . . . . . 18469 1 15 2 24.15 . . . . . . . . . . . . . 18469 1 15 3 0.72 . . . . . . . . . . . . . 18469 1 16 1 0.563 . . . . . . . . . . . . . 18469 1 16 2 23.036 . . . . . . . . . . . . . 18469 1 16 3 0.644 . . . . . . . . . . . . . 18469 1 17 1 0.471 . . . . . . . . . . . . . 18469 1 17 2 23.036 . . . . . . . . . . . . . 18469 1 17 3 0.637 . . . . . . . . . . . . . 18469 1 18 1 1.06 . . . . . . . . . . . . . 18469 1 18 2 24.065 . . . . . . . . . . . . . 18469 1 18 3 0.805 . . . . . . . . . . . . . 18469 1 19 1 1.325 . . . . . . . . . . . . . 18469 1 19 2 24.002 . . . . . . . . . . . . . 18469 1 19 3 0.806 . . . . . . . . . . . . . 18469 1 20 1 0.505 . . . . . . . . . . . . . 18469 1 20 2 25.09 . . . . . . . . . . . . . 18469 1 20 3 0.555 . . . . . . . . . . . . . 18469 1 21 1 0.556 . . . . . . . . . . . . . 18469 1 21 2 23.667 . . . . . . . . . . . . . 18469 1 21 3 0.458 . . . . . . . . . . . . . 18469 1 22 1 0.601 . . . . . . . . . . . . . 18469 1 22 2 25.237 . . . . . . . . . . . . . 18469 1 22 3 0.551 . . . . . . . . . . . . . 18469 1 23 1 0.536 . . . . . . . . . . . . . 18469 1 23 2 25.368 . . . . . . . . . . . . . 18469 1 23 3 0.828 . . . . . . . . . . . . . 18469 1 24 1 0.842 . . . . . . . . . . . . . 18469 1 24 2 23.789 . . . . . . . . . . . . . 18469 1 24 3 0.797 . . . . . . . . . . . . . 18469 1 25 1 0.741 . . . . . . . . . . . . . 18469 1 25 2 23.793 . . . . . . . . . . . . . 18469 1 25 3 0.797 . . . . . . . . . . . . . 18469 1 26 1 0.448 . . . . . . . . . . . . . 18469 1 26 2 23.564 . . . . . . . . . . . . . 18469 1 26 3 0.789 . . . . . . . . . . . . . 18469 1 27 1 0.468 . . . . . . . . . . . . . 18469 1 27 2 23.401 . . . . . . . . . . . . . 18469 1 27 3 0.638 . . . . . . . . . . . . . 18469 1 28 1 0.705 . . . . . . . . . . . . . 18469 1 28 2 23.124 . . . . . . . . . . . . . 18469 1 28 3 0.633 . . . . . . . . . . . . . 18469 1 29 1 0.93 . . . . . . . . . . . . . 18469 1 29 2 22.945 . . . . . . . . . . . . . 18469 1 29 3 0.637 . . . . . . . . . . . . . 18469 1 30 1 0.555 . . . . . . . . . . . . . 18469 1 30 2 23.838 . . . . . . . . . . . . . 18469 1 30 3 0.796 . . . . . . . . . . . . . 18469 1 31 1 0.58 . . . . . . . . . . . . . 18469 1 31 2 24.465 . . . . . . . . . . . . . 18469 1 31 3 0.721 . . . . . . . . . . . . . 18469 1 32 1 0.947 . . . . . . . . . . . . . 18469 1 32 2 24.465 . . . . . . . . . . . . . 18469 1 32 3 0.721 . . . . . . . . . . . . . 18469 1 33 1 1.376 . . . . . . . . . . . . . 18469 1 33 2 24.465 . . . . . . . . . . . . . 18469 1 33 3 1.439 . . . . . . . . . . . . . 18469 1 34 1 0.473 . . . . . . . . . . . . . 18469 1 34 2 26.336 . . . . . . . . . . . . . 18469 1 34 3 0.56 . . . . . . . . . . . . . 18469 1 35 1 3.666 . . . . . . . . . . . . . 18469 1 35 2 39.18 . . . . . . . . . . . . . 18469 1 35 3 0.821 . . . . . . . . . . . . . 18469 1 36 1 0.568 . . . . . . . . . . . . . 18469 1 36 2 39.086 . . . . . . . . . . . . . 18469 1 36 3 0.813 . . . . . . . . . . . . . 18469 1 37 1 0.731 . . . . . . . . . . . . . 18469 1 37 2 15.046 . . . . . . . . . . . . . 18469 1 37 3 0.815 . . . . . . . . . . . . . 18469 1 38 1 7.01 . . . . . . . . . . . . . 18469 1 38 2 19.547 . . . . . . . . . . . . . 18469 1 38 3 1.5 . . . . . . . . . . . . . 18469 1 39 1 4.305 . . . . . . . . . . . . . 18469 1 39 2 22.181 . . . . . . . . . . . . . 18469 1 39 3 1.064 . . . . . . . . . . . . . 18469 1 40 1 0.377 . . . . . . . . . . . . . 18469 1 40 2 23.68 . . . . . . . . . . . . . 18469 1 40 3 0.456 . . . . . . . . . . . . . 18469 1 41 1 0.763 . . . . . . . . . . . . . 18469 1 41 2 25.54 . . . . . . . . . . . . . 18469 1 41 3 0.836 . . . . . . . . . . . . . 18469 1 42 1 0.802 . . . . . . . . . . . . . 18469 1 42 2 25.165 . . . . . . . . . . . . . 18469 1 42 3 0.556 . . . . . . . . . . . . . 18469 1 43 1 0.499 . . . . . . . . . . . . . 18469 1 43 2 24.79 . . . . . . . . . . . . . 18469 1 43 3 0.553 . . . . . . . . . . . . . 18469 1 44 1 1.883 . . . . . . . . . . . . . 18469 1 44 2 18.483 . . . . . . . . . . . . . 18469 1 44 3 0.773 . . . . . . . . . . . . . 18469 1 45 1 0.822 . . . . . . . . . . . . . 18469 1 45 2 18.415 . . . . . . . . . . . . . 18469 1 45 3 0.768 . . . . . . . . . . . . . 18469 1 46 1 0.714 . . . . . . . . . . . . . 18469 1 46 2 18.415 . . . . . . . . . . . . . 18469 1 46 3 0.768 . . . . . . . . . . . . . 18469 1 47 1 0.783 . . . . . . . . . . . . . 18469 1 47 2 26.762 . . . . . . . . . . . . . 18469 1 47 3 0.839 . . . . . . . . . . . . . 18469 1 48 1 3.671 . . . . . . . . . . . . . 18469 1 48 2 24.083 . . . . . . . . . . . . . 18469 1 48 3 0.801 . . . . . . . . . . . . . 18469 1 49 1 0.89 . . . . . . . . . . . . . 18469 1 49 2 25.54 . . . . . . . . . . . . . 18469 1 49 3 0.836 . . . . . . . . . . . . . 18469 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 . . . 0.76 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 1 2 . . . 12.729 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 1 3 . . . 0.751 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 2 1 . . . 0.807 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 2 2 . . . 23.649 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 2 3 . . . 0.462 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 3 1 . . . 0.816 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 3 2 . . . 22.965 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 3 3 . . . 0.64 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 4 1 . . . 0.793 . . . . . . . . . . . 188 . . . . . . 1 . . 18469 1 4 2 . . . 22.576 . . . . . . . . . . . 734 . . . . . . 1 . . 18469 1 4 3 . . . 1.188 . . . . . . . . . . . 739 . . . . . . 1 . . 18469 1 5 1 . . . 1.063 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 5 2 . . . 18.334 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 5 3 . . . 0.771 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 6 1 . . . 0.781 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 6 2 . . . 17.663 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 6 3 . . . 0.776 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 7 1 . . . 0.789 . . . . . . . . . . . 188 . . . . . . 1 . . 18469 1 7 2 . . . 22.136 . . . . . . . . . . . 735 . . . . . . 1 . . 18469 1 7 3 . . . 1.056 . . . . . . . . . . . 740 . . . . . . 1 . . 18469 1 8 1 . . . 1.376 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 8 2 . . . 24.548 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 8 3 . . . 1.439 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 9 1 . . . 0.771 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 9 2 . . . 14.866 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 9 3 . . . 0.984 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 10 1 . . . 0.807 . . . . . . . . . . . 857 . . . . . . 1 . . 18469 1 10 2 . . . 23.649 . . . . . . . . . . . 760 . . . . . . 1 . . 18469 1 10 3 . . . 0.462 . . . . . . . . . . . 767 . . . . . . 1 . . 18469 1 11 1 . . . 0.816 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 11 2 . . . 22.965 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 11 3 . . . 0.64 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 12 1 . . . 0.555 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 12 2 . . . 23.838 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 12 3 . . . 0.796 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 13 1 . . . 0.79 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 13 2 . . . 24.965 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 13 3 . . . 0.558 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 14 1 . . . 0.793 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 14 2 . . . 22.575 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 14 3 . . . 1.188 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 15 1 . . . 0.79 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 15 2 . . . 24.15 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 15 3 . . . 0.72 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 16 1 . . . 0.563 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 16 2 . . . 23.036 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 16 3 . . . 0.644 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 17 1 . . . 0.471 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 17 2 . . . 23.036 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 17 3 . . . 0.637 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 18 1 . . . 1.06 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 18 2 . . . 24.065 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 18 3 . . . 0.805 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 19 1 . . . 1.325 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 19 2 . . . 24.002 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 19 3 . . . 0.806 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 20 1 . . . 0.505 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 20 2 . . . 25.09 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 20 3 . . . 0.555 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 21 1 . . . 0.556 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 21 2 . . . 23.667 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 21 3 . . . 0.458 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 22 1 . . . 0.601 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 22 2 . . . 25.237 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 22 3 . . . 0.551 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 23 1 . . . 0.536 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 23 2 . . . 25.368 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 23 3 . . . 0.828 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 24 1 . . . 0.842 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 24 2 . . . 23.789 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 24 3 . . . 0.797 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 25 1 . . . 0.741 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 25 2 . . . 23.793 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 25 3 . . . 0.797 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 26 1 . . . 0.448 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 26 2 . . . 23.564 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 26 3 . . . 0.789 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 27 1 . . . 0.468 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 27 2 . . . 23.401 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 27 3 . . . 0.638 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 28 1 . . . 0.705 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 28 2 . . . 23.124 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 28 3 . . . 0.633 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 29 1 . . . 0.93 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 29 2 . . . 22.945 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 29 3 . . . 0.637 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 30 1 . . . 0.555 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 30 2 . . . 23.838 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 30 3 . . . 0.796 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 31 1 . . . 0.58 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 31 2 . . . 24.465 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 31 3 . . . 0.721 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 32 1 . . . 0.947 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 32 2 . . . 24.465 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 32 3 . . . 0.721 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 33 1 . . . 1.376 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 33 2 . . . 24.465 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 33 3 . . . 1.439 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 34 1 . . . 0.473 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 34 2 . . . 26.336 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 34 3 . . . 0.56 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 35 1 . . . 3.666 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 35 2 . . . 39.18 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 35 3 . . . 0.821 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 36 1 . . . 0.568 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 36 2 . . . 39.086 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 36 3 . . . 0.813 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 37 1 . . . 0.731 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 37 2 . . . 15.046 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 37 3 . . . 0.815 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 38 1 . . . 7.01 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 38 2 . . . 19.547 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 38 3 . . . 1.5 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 39 1 . . . 4.305 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 39 2 . . . 22.181 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 39 3 . . . 1.064 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 40 1 . . . 0.377 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 40 2 . . . 23.68 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 40 3 . . . 0.456 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 41 1 . . . 0.763 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 41 2 . . . 25.54 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 41 3 . . . 0.836 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 42 1 . . . 0.802 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 42 2 . . . 25.165 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 42 3 . . . 0.556 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 43 1 . . . 0.499 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 43 2 . . . 24.79 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 43 3 . . . 0.553 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 44 1 . . . 1.883 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 44 2 . . . 18.483 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 44 3 . . . 0.773 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 45 1 . . . 0.822 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 45 2 . . . 18.415 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 45 3 . . . 0.768 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 46 1 . . . 0.714 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 46 2 . . . 18.415 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 46 3 . . . 0.768 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 47 1 . . . 0.783 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 47 2 . . . 26.762 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 47 3 . . . 0.839 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 48 1 . . . 3.671 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 48 2 . . . 24.083 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 48 3 . . . 0.801 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 49 1 . . . 0.89 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 49 2 . . . 25.54 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 49 3 . . . 0.836 . . . . . . . . . . . 0 . . . . . . 1 . . 18469 1 stop_ save_