data_18158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18158 _Entry.Title ; Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-20 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date 2012-01-26 _Entry.Original_release_date 2012-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yunhuang Yang . . . 18158 2 Theresa Ramelot . A. . 18158 3 Keith Hamilton . . . 18158 4 Eitan Kohan . . . 18158 5 Dongyan Wang . . . 18158 6 Thomas Acton . B. . 18158 7 Rong Xiao . . . 18158 8 John Everett . K. . 18158 9 Gaetano Montelione . T. . 18158 10 Michael Kennedy . A. . 18158 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18158 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18158 'Protein NMR' . 18158 'Protein Structure Initiative' . 18158 PSI3 . 18158 'Structural Genomics' . 18158 'Target HR8174A' . 18158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 18158 '15N chemical shifts' 75 18158 '1H chemical shifts' 517 18158 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 . . 2012-01-26 2011-12-20 original author . 18158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNB 'BMRB Entry Tracking System' 18158 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18158 _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 N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 18158 1 2 Theresa Ramelot . A. . 18158 1 3 Keith Hamilton . . . 18158 1 4 Eitan Kohan . . . 18158 1 5 Dongyan Wang . . . 18158 1 6 Thomas Acton . B. . 18158 1 7 Rong Xiao . . . 18158 1 8 John Everett . K. . 18158 1 9 Gaetano Montelione . T. . 18158 1 10 Michael Kennedy . A. . 18158 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18158 _Assembly.ID 1 _Assembly.Name 'N-terminal domain (6-74) of human ZBP1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9023.3 _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 'N-terminal domain (6-74) of human ZBP1 protein' 1 $N-terminal_domain_(6-74)_of_human_ZBP1_protein A . yes native no no . . . 18158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_domain_(6-74)_of_human_ZBP1_protein _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_domain_(6-74)_of_human_ZBP1_protein _Entity.Entry_ID 18158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N-terminal_domain_(6-74)_of_human_ZBP1_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMADPGREGHL EQRILQVLTEAGSPVKLAQL VKECQAPKRELNQVLYRMKK ELKVSLTSPATWCLGGTDPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9023.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-09-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LNB . "Solution Nmr Structure Of N-Terminal Domain (6-74) Of Human Zbp1 Protein, Northeast Structural Genomics Consortium Target Hr817" . . . . . 100.00 80 100.00 100.00 1.09e-50 . . . . 18158 1 2 no DBJ BAF83607 . "unnamed protein product [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 1.08e-38 . . . . 18158 1 3 no EMBL CAC18810 . "putative tumor stroma and activated macrophage protein DLM-1 [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 9.14e-39 . . . . 18158 1 4 no GB AAH28218 . "ZBP1 protein [Homo sapiens]" . . . . . 86.25 149 100.00 100.00 3.64e-41 . . . . 18158 1 5 no GB AAI31707 . "Z-DNA binding protein 1 [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 9.05e-39 . . . . 18158 1 6 no GB AIC57208 . "ZBP1, partial [synthetic construct]" . . . . . 86.25 429 100.00 100.00 9.05e-39 . . . . 18158 1 7 no GB AIC62264 . "ZBP1, partial [synthetic construct]" . . . . . 86.25 149 100.00 100.00 2.71e-41 . . . . 18158 1 8 no GB EAW75509 . "Z-DNA binding protein 1, isoform CRA_a [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 9.14e-39 . . . . 18158 1 9 no REF NP_001153889 . "Z-DNA-binding protein 1 isoform b [Homo sapiens]" . . . . . 86.25 428 100.00 100.00 8.07e-39 . . . . 18158 1 10 no REF NP_001153891 . "Z-DNA-binding protein 1 isoform d [Homo sapiens]" . . . . . 86.25 248 100.00 100.00 2.41e-40 . . . . 18158 1 11 no REF NP_110403 . "Z-DNA-binding protein 1 isoform a [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 8.77e-39 . . . . 18158 1 12 no SP Q9H171 . "RecName: Full=Z-DNA-binding protein 1; AltName: Full=Tumor stroma and activated macrophage protein DLM-1 [Homo sapiens]" . . . . . 86.25 429 100.00 100.00 8.77e-39 . . . . 18158 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 . 18158 1 2 . GLY . 18158 1 3 . HIS . 18158 1 4 . HIS . 18158 1 5 . HIS . 18158 1 6 . HIS . 18158 1 7 . HIS . 18158 1 8 . HIS . 18158 1 9 . SER . 18158 1 10 . HIS . 18158 1 11 . MET . 18158 1 12 . ALA . 18158 1 13 . ASP . 18158 1 14 . PRO . 18158 1 15 . GLY . 18158 1 16 . ARG . 18158 1 17 . GLU . 18158 1 18 . GLY . 18158 1 19 . HIS . 18158 1 20 . LEU . 18158 1 21 . GLU . 18158 1 22 . GLN . 18158 1 23 . ARG . 18158 1 24 . ILE . 18158 1 25 . LEU . 18158 1 26 . GLN . 18158 1 27 . VAL . 18158 1 28 . LEU . 18158 1 29 . THR . 18158 1 30 . GLU . 18158 1 31 . ALA . 18158 1 32 . GLY . 18158 1 33 . SER . 18158 1 34 . PRO . 18158 1 35 . VAL . 18158 1 36 . LYS . 18158 1 37 . LEU . 18158 1 38 . ALA . 18158 1 39 . GLN . 18158 1 40 . LEU . 18158 1 41 . VAL . 18158 1 42 . LYS . 18158 1 43 . GLU . 18158 1 44 . CYS . 18158 1 45 . GLN . 18158 1 46 . ALA . 18158 1 47 . PRO . 18158 1 48 . LYS . 18158 1 49 . ARG . 18158 1 50 . GLU . 18158 1 51 . LEU . 18158 1 52 . ASN . 18158 1 53 . GLN . 18158 1 54 . VAL . 18158 1 55 . LEU . 18158 1 56 . TYR . 18158 1 57 . ARG . 18158 1 58 . MET . 18158 1 59 . LYS . 18158 1 60 . LYS . 18158 1 61 . GLU . 18158 1 62 . LEU . 18158 1 63 . LYS . 18158 1 64 . VAL . 18158 1 65 . SER . 18158 1 66 . LEU . 18158 1 67 . THR . 18158 1 68 . SER . 18158 1 69 . PRO . 18158 1 70 . ALA . 18158 1 71 . THR . 18158 1 72 . TRP . 18158 1 73 . CYS . 18158 1 74 . LEU . 18158 1 75 . GLY . 18158 1 76 . GLY . 18158 1 77 . THR . 18158 1 78 . ASP . 18158 1 79 . PRO . 18158 1 80 . GLU . 18158 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 18158 1 . GLY 2 2 18158 1 . HIS 3 3 18158 1 . HIS 4 4 18158 1 . HIS 5 5 18158 1 . HIS 6 6 18158 1 . HIS 7 7 18158 1 . HIS 8 8 18158 1 . SER 9 9 18158 1 . HIS 10 10 18158 1 . MET 11 11 18158 1 . ALA 12 12 18158 1 . ASP 13 13 18158 1 . PRO 14 14 18158 1 . GLY 15 15 18158 1 . ARG 16 16 18158 1 . GLU 17 17 18158 1 . GLY 18 18 18158 1 . HIS 19 19 18158 1 . LEU 20 20 18158 1 . GLU 21 21 18158 1 . GLN 22 22 18158 1 . ARG 23 23 18158 1 . ILE 24 24 18158 1 . LEU 25 25 18158 1 . GLN 26 26 18158 1 . VAL 27 27 18158 1 . LEU 28 28 18158 1 . THR 29 29 18158 1 . GLU 30 30 18158 1 . ALA 31 31 18158 1 . GLY 32 32 18158 1 . SER 33 33 18158 1 . PRO 34 34 18158 1 . VAL 35 35 18158 1 . LYS 36 36 18158 1 . LEU 37 37 18158 1 . ALA 38 38 18158 1 . GLN 39 39 18158 1 . LEU 40 40 18158 1 . VAL 41 41 18158 1 . LYS 42 42 18158 1 . GLU 43 43 18158 1 . CYS 44 44 18158 1 . GLN 45 45 18158 1 . ALA 46 46 18158 1 . PRO 47 47 18158 1 . LYS 48 48 18158 1 . ARG 49 49 18158 1 . GLU 50 50 18158 1 . LEU 51 51 18158 1 . ASN 52 52 18158 1 . GLN 53 53 18158 1 . VAL 54 54 18158 1 . LEU 55 55 18158 1 . TYR 56 56 18158 1 . ARG 57 57 18158 1 . MET 58 58 18158 1 . LYS 59 59 18158 1 . LYS 60 60 18158 1 . GLU 61 61 18158 1 . LEU 62 62 18158 1 . LYS 63 63 18158 1 . VAL 64 64 18158 1 . SER 65 65 18158 1 . LEU 66 66 18158 1 . THR 67 67 18158 1 . SER 68 68 18158 1 . PRO 69 69 18158 1 . ALA 70 70 18158 1 . THR 71 71 18158 1 . TRP 72 72 18158 1 . CYS 73 73 18158 1 . LEU 74 74 18158 1 . GLY 75 75 18158 1 . GLY 76 76 18158 1 . THR 77 77 18158 1 . ASP 78 78 18158 1 . PRO 79 79 18158 1 . GLU 80 80 18158 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 18158 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $N-terminal_domain_(6-74)_of_human_ZBP1_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ZBP1 . . . . 18158 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 18158 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $N-terminal_domain_(6-74)_of_human_ZBP1_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15 . . . . . . 18158 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 18158 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal domain (6-74) of human ZBP1 protein' '[U-100% 13C; U-100% 15N]' . . 1 $N-terminal_domain_(6-74)_of_human_ZBP1_protein . . 1.0 . . mM 0.1 . . . 18158 1 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 18158 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 18158 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 18158 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 18158 1 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 18158 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 18158 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'N-terminal domain (6-74) of human ZBP1 protein' '[U-5% 13C; U-100% 15N]' . . 1 $N-terminal_domain_(6-74)_of_human_ZBP1_protein . . 1.00 . . mM 0.1 . . . 18158 2 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 18158 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 18158 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 18158 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 18158 2 6 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 18158 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18158 _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 6.5 . pH 18158 1 pressure 1 . atm 18158 1 temperature 298 . K 18158 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18158 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18158 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18158 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18158 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18158 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18158 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18158 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18158 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18158 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18158 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18158 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18158 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18158 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18158 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18158 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18158 _Software.ID 6 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18158 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18158 6 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18158 _Software.ID 7 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18158 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18158 7 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18158 _Software.ID 8 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18158 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18158 8 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18158 _Software.ID 9 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18158 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18158 9 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18158 _Software.ID 10 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18158 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18158 10 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18158 _Software.ID 11 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18158 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18158 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18158 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18158 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18158 12 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 18158 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18158 _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 18158 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 18158 1 2 spectrometer_2 Varian INOVA . 600 . . . 18158 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 18158 _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 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 2 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 3 '3D HNCO' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 5 '3D HNCACB' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 7 '2D 1H-15N HSQC NH2 only' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 8 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 9 '2D 1H-13C HSQC aromatic' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 10 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 11 '3D 1H-13C NUS-NOESY aliphatic' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 12 '3D HNCA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 13 '3D HN(CO)CA' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 14 '3D C(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 15 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 16 '3D HCCH-COSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 17 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 18 '3D CCH-TOCSY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 1 19 '4D CC-NOESY' yes . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18158 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 18158 _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 acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/4_Nhsqc_opt.850mhz/ . . . . . . . 18158 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/4_Nhsqc_opt.850mhz/ . . . . . . . 18158 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/4_Nhsqc_opt.850mhz/ . . . . . . . 18158 1 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/4_Nhsqc_opt.850mhz/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC 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 acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/10_Chsqc.850mhz/ . . . . . . . 18158 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/10_Chsqc.850mhz/ . . . . . . . 18158 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/10_Chsqc.850mhz/ . . . . . . . 18158 2 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/10_Chsqc.850mhz/ . . . . . . . 18158 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 18158 _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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnco_100711.fid/ . . . . . . . 18158 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnco_100711.fid/ . . . . . . . 18158 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnco_100711.fid/ . . . . . . . 18158 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 18158 _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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cbcaconh_100911.fid/ . . . . . . . 18158 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cbcaconh_100911.fid/ . . . . . . . 18158 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cbcaconh_100911.fid/ . . . . . . . 18158 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 18158 _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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncacb_100911.fid/ . . . . . . . 18158 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncacb_100911.fid/ . . . . . . . 18158 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncacb_100911.fid/ . . . . . . . 18158 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 18158 _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 acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/54_Cnoesy_arom_100311.850mhz/ . . . . . . . 18158 6 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/54_Cnoesy_arom_100311.850mhz/ . . . . . . . 18158 6 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/54_Cnoesy_arom_100311.850mhz/ . . . . . . . 18158 6 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/54_Cnoesy_arom_100311.850mhz/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D 1H-15N HSQC NH2 only' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Nhsqc_100611.fid/ . . . . . . . 18158 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Nhsqc_100611.fid/ . . . . . . . 18158 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Nhsqc_100611.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 1H-13C HSQC 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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_100611.fid/ . . . . . . . 18158 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_100611.fid/ . . . . . . . 18158 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_100611.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 1H-13C HSQC aromatic' _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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_arom_ct_102111.fid/ . . . . . . . 18158 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_arom_ct_102111.fid/ . . . . . . . 18158 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_Chsqc_arom_ct_102111.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D 1H-13C HSQC aromatic' _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 acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/50_Nnoesy.850mhz/ . . . . . . . 18158 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/50_Nnoesy.850mhz/ . . . . . . . 18158 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/50_Nnoesy.850mhz/ . . . . . . . 18158 10 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/50_Nnoesy.850mhz/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 1H-13C NUS-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 acqu 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/52_Cnoesy_ali_nus_102511.850mhz/ . . . . . . . 18158 11 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/52_Cnoesy_ali_nus_102511.850mhz/ . . . . . . . 18158 11 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/52_Cnoesy_ali_nus_102511.850mhz/ . . . . . . . 18158 11 . 'NMR Experimental Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/52_Cnoesy_ali_nus_102511.850mhz/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnca_101311.fid/ . . . . . . . 18158 12 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnca_101311.fid/ . . . . . . . 18158 12 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hnca_101311.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncoca_101311.fid/ . . . . . . . 18158 13 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncoca_101311.fid/ . . . . . . . 18158 13 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hncoca_101311.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cconh_101711.fid/ . . . . . . . 18158 14 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cconh_101711.fid/ . . . . . . . 18158 14 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_cconh_101711.fid/ . . . . . . . 18158 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 18158 _NMR_spec_expt.ID 15 _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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hbhaconh_101411.fid/ . . . . . . . 18158 15 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hbhaconh_101411.fid/ . . . . . . . 18158 15 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hbhaconh_101411.fid/ . . . . . . . 18158 15 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 18158 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hcch_tocsy_102111.fid/ . . . . . . . 18158 16 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hcch_tocsy_102111.fid/ . . . . . . . 18158 16 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_hcch_tocsy_102111.fid/ . . . . . . . 18158 16 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 18158 _NMR_spec_expt.ID 18 _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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_cch_tocsy_new_111111.fid/ . . . . . . . 18158 17 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_cch_tocsy_new_111111.fid/ . . . . . . . 18158 17 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_cch_tocsy_new_111111.fid/ . . . . . . . 18158 17 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 18158 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name '4D CC-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 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 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_4D_CCnoesy_110711.fid/ . . . . . . . 18158 18 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_4D_CCnoesy_110711.fid/ . . . . . . . 18158 18 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr18158/timedomain_data/data/HR8174A_d2o_4D_CCnoesy_110711.fid/ . . . . . . . 18158 18 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 18158 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18158 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18158 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18158 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 18158 _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' . . . 18158 1 2 '2D 1H-13C HSQC aliphatic' . . . 18158 1 3 '3D HNCO' . . . 18158 1 8 '2D 1H-13C HSQC aliphatic' . . . 18158 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 10 10 HIS HA H 1 4.66 0.02 . 1 . . . A 10 HIS HA . 18158 1 2 . 1 1 10 10 HIS HB2 H 1 3.16 0.02 . 2 . . . A 10 HIS HB2 . 18158 1 3 . 1 1 10 10 HIS HB3 H 1 3.16 0.02 . 2 . . . A 10 HIS HB3 . 18158 1 4 . 1 1 10 10 HIS C C 13 175 0.2 . 1 . . . A 10 HIS C . 18158 1 5 . 1 1 10 10 HIS CA C 13 56.3 0.2 . 1 . . . A 10 HIS CA . 18158 1 6 . 1 1 10 10 HIS CB C 13 30.2 0.2 . 1 . . . A 10 HIS CB . 18158 1 7 . 1 1 11 11 MET H H 1 8.22 0.02 . 1 . . . A 11 MET H . 18158 1 8 . 1 1 11 11 MET HA H 1 4.4 0.02 . 1 . . . A 11 MET HA . 18158 1 9 . 1 1 11 11 MET HB2 H 1 2.03 0.02 . 2 . . . A 11 MET HB2 . 18158 1 10 . 1 1 11 11 MET HB3 H 1 1.93 0.02 . 2 . . . A 11 MET HB3 . 18158 1 11 . 1 1 11 11 MET HG2 H 1 2.49 0.02 . 2 . . . A 11 MET HG2 . 18158 1 12 . 1 1 11 11 MET HG3 H 1 2.43 0.02 . 2 . . . A 11 MET HG3 . 18158 1 13 . 1 1 11 11 MET C C 13 175.5 0.2 . 1 . . . A 11 MET C . 18158 1 14 . 1 1 11 11 MET CA C 13 55.6 0.2 . 1 . . . A 11 MET CA . 18158 1 15 . 1 1 11 11 MET CB C 13 33.1 0.2 . 1 . . . A 11 MET CB . 18158 1 16 . 1 1 11 11 MET CG C 13 31.9 0.2 . 1 . . . A 11 MET CG . 18158 1 17 . 1 1 11 11 MET N N 15 121.5 0.2 . 1 . . . A 11 MET N . 18158 1 18 . 1 1 12 12 ALA H H 1 8.32 0.02 . 1 . . . A 12 ALA H . 18158 1 19 . 1 1 12 12 ALA HA H 1 4.28 0.02 . 1 . . . A 12 ALA HA . 18158 1 20 . 1 1 12 12 ALA HB1 H 1 1.35 0.02 . 1 . . . A 12 ALA HB . 18158 1 21 . 1 1 12 12 ALA HB2 H 1 1.35 0.02 . 1 . . . A 12 ALA HB . 18158 1 22 . 1 1 12 12 ALA HB3 H 1 1.35 0.02 . 1 . . . A 12 ALA HB . 18158 1 23 . 1 1 12 12 ALA C C 13 177 0.2 . 1 . . . A 12 ALA C . 18158 1 24 . 1 1 12 12 ALA CA C 13 52.4 0.2 . 1 . . . A 12 ALA CA . 18158 1 25 . 1 1 12 12 ALA CB C 13 19.4 0.2 . 1 . . . A 12 ALA CB . 18158 1 26 . 1 1 12 12 ALA N N 15 125.1 0.2 . 1 . . . A 12 ALA N . 18158 1 27 . 1 1 13 13 ASP H H 1 8.31 0.02 . 1 . . . A 13 ASP H . 18158 1 28 . 1 1 13 13 ASP HA H 1 4.86 0.02 . 1 . . . A 13 ASP HA . 18158 1 29 . 1 1 13 13 ASP HB2 H 1 2.78 0.02 . 2 . . . A 13 ASP HB2 . 18158 1 30 . 1 1 13 13 ASP HB3 H 1 2.59 0.02 . 2 . . . A 13 ASP HB3 . 18158 1 31 . 1 1 13 13 ASP CA C 13 52.1 0.2 . 1 . . . A 13 ASP CA . 18158 1 32 . 1 1 13 13 ASP CB C 13 41.6 0.2 . 1 . . . A 13 ASP CB . 18158 1 33 . 1 1 13 13 ASP N N 15 120.77 0.2 . 1 . . . A 13 ASP N . 18158 1 34 . 1 1 14 14 PRO HA H 1 4.41 0.02 . 1 . . . A 14 PRO HA . 18158 1 35 . 1 1 14 14 PRO HB2 H 1 2.28 0.02 . 2 . . . A 14 PRO HB2 . 18158 1 36 . 1 1 14 14 PRO HB3 H 1 1.96 0.02 . 2 . . . A 14 PRO HB3 . 18158 1 37 . 1 1 14 14 PRO HG2 H 1 2 0.02 . 2 . . . A 14 PRO HG2 . 18158 1 38 . 1 1 14 14 PRO HG3 H 1 2 0.02 . 2 . . . A 14 PRO HG3 . 18158 1 39 . 1 1 14 14 PRO HD2 H 1 3.84 0.02 . 2 . . . A 14 PRO HD2 . 18158 1 40 . 1 1 14 14 PRO HD3 H 1 3.84 0.02 . 2 . . . A 14 PRO HD3 . 18158 1 41 . 1 1 14 14 PRO C C 13 178 0.2 . 1 . . . A 14 PRO C . 18158 1 42 . 1 1 14 14 PRO CA C 13 64 0.2 . 1 . . . A 14 PRO CA . 18158 1 43 . 1 1 14 14 PRO CB C 13 32.1 0.2 . 1 . . . A 14 PRO CB . 18158 1 44 . 1 1 14 14 PRO CG C 13 27.3 0.2 . 1 . . . A 14 PRO CG . 18158 1 45 . 1 1 14 14 PRO CD C 13 50.8 0.2 . 1 . . . A 14 PRO CD . 18158 1 46 . 1 1 15 15 GLY H H 1 8.52 0.02 . 1 . . . A 15 GLY H . 18158 1 47 . 1 1 15 15 GLY HA2 H 1 4 0.02 . 2 . . . A 15 GLY HA2 . 18158 1 48 . 1 1 15 15 GLY HA3 H 1 3.9 0.02 . 2 . . . A 15 GLY HA3 . 18158 1 49 . 1 1 15 15 GLY C C 13 174.9 0.2 . 1 . . . A 15 GLY C . 18158 1 50 . 1 1 15 15 GLY CA C 13 45.5 0.2 . 1 . . . A 15 GLY CA . 18158 1 51 . 1 1 15 15 GLY N N 15 108.3 0.2 . 1 . . . A 15 GLY N . 18158 1 52 . 1 1 16 16 ARG H H 1 8.05 0.02 . 1 . . . A 16 ARG H . 18158 1 53 . 1 1 16 16 ARG HA H 1 4.21 0.02 . 1 . . . A 16 ARG HA . 18158 1 54 . 1 1 16 16 ARG HB2 H 1 1.93 0.02 . 2 . . . A 16 ARG HB2 . 18158 1 55 . 1 1 16 16 ARG HB3 H 1 1.89 0.02 . 2 . . . A 16 ARG HB3 . 18158 1 56 . 1 1 16 16 ARG HG2 H 1 1.66 0.02 . 2 . . . A 16 ARG HG2 . 18158 1 57 . 1 1 16 16 ARG HG3 H 1 1.66 0.02 . 2 . . . A 16 ARG HG3 . 18158 1 58 . 1 1 16 16 ARG HD2 H 1 3.27 0.02 . 2 . . . A 16 ARG HD2 . 18158 1 59 . 1 1 16 16 ARG HD3 H 1 3.18 0.02 . 2 . . . A 16 ARG HD3 . 18158 1 60 . 1 1 16 16 ARG C C 13 177.6 0.2 . 1 . . . A 16 ARG C . 18158 1 61 . 1 1 16 16 ARG CA C 13 58 0.2 . 1 . . . A 16 ARG CA . 18158 1 62 . 1 1 16 16 ARG CB C 13 30.6 0.2 . 1 . . . A 16 ARG CB . 18158 1 63 . 1 1 16 16 ARG CG C 13 27.1 0.2 . 1 . . . A 16 ARG CG . 18158 1 64 . 1 1 16 16 ARG CD C 13 43.3 0.2 . 1 . . . A 16 ARG CD . 18158 1 65 . 1 1 16 16 ARG CZ C 13 160.1 0.2 . 1 . . . A 16 ARG CZ . 18158 1 66 . 1 1 16 16 ARG N N 15 121.7 0.2 . 1 . . . A 16 ARG N . 18158 1 67 . 1 1 17 17 GLU H H 1 8.66 0.02 . 1 . . . A 17 GLU H . 18158 1 68 . 1 1 17 17 GLU HA H 1 4.04 0.02 . 1 . . . A 17 GLU HA . 18158 1 69 . 1 1 17 17 GLU HB2 H 1 2.02 0.02 . 2 . . . A 17 GLU HB2 . 18158 1 70 . 1 1 17 17 GLU HB3 H 1 2.02 0.02 . 2 . . . A 17 GLU HB3 . 18158 1 71 . 1 1 17 17 GLU HG2 H 1 2.33 0.02 . 2 . . . A 17 GLU HG2 . 18158 1 72 . 1 1 17 17 GLU HG3 H 1 2.22 0.02 . 2 . . . A 17 GLU HG3 . 18158 1 73 . 1 1 17 17 GLU C C 13 178.1 0.2 . 1 . . . A 17 GLU C . 18158 1 74 . 1 1 17 17 GLU CA C 13 59.4 0.2 . 1 . . . A 17 GLU CA . 18158 1 75 . 1 1 17 17 GLU CB C 13 29.5 0.2 . 1 . . . A 17 GLU CB . 18158 1 76 . 1 1 17 17 GLU CG C 13 36.8 0.2 . 1 . . . A 17 GLU CG . 18158 1 77 . 1 1 17 17 GLU N N 15 119.9 0.2 . 1 . . . A 17 GLU N . 18158 1 78 . 1 1 18 18 GLY H H 1 8.3 0.02 . 1 . . . A 18 GLY H . 18158 1 79 . 1 1 18 18 GLY HA2 H 1 3.93 0.02 . 2 . . . A 18 GLY HA2 . 18158 1 80 . 1 1 18 18 GLY HA3 H 1 3.91 0.02 . 2 . . . A 18 GLY HA3 . 18158 1 81 . 1 1 18 18 GLY C C 13 175.9 0.2 . 1 . . . A 18 GLY C . 18158 1 82 . 1 1 18 18 GLY CA C 13 46.5 0.2 . 1 . . . A 18 GLY CA . 18158 1 83 . 1 1 18 18 GLY N N 15 108.2 0.2 . 1 . . . A 18 GLY N . 18158 1 84 . 1 1 19 19 HIS H H 1 8.1 0.02 . 1 . . . A 19 HIS H . 18158 1 85 . 1 1 19 19 HIS HA H 1 4.49 0.02 . 1 . . . A 19 HIS HA . 18158 1 86 . 1 1 19 19 HIS HB2 H 1 3.28 0.02 . 2 . . . A 19 HIS HB2 . 18158 1 87 . 1 1 19 19 HIS HB3 H 1 3.24 0.02 . 2 . . . A 19 HIS HB3 . 18158 1 88 . 1 1 19 19 HIS HD2 H 1 7.05 0.02 . 1 . . . A 19 HIS HD2 . 18158 1 89 . 1 1 19 19 HIS C C 13 177.4 0.2 . 1 . . . A 19 HIS C . 18158 1 90 . 1 1 19 19 HIS CA C 13 58.6 0.2 . 1 . . . A 19 HIS CA . 18158 1 91 . 1 1 19 19 HIS CB C 13 29.8 0.2 . 1 . . . A 19 HIS CB . 18158 1 92 . 1 1 19 19 HIS CD2 C 13 119.9 0.2 . 1 . . . A 19 HIS CD2 . 18158 1 93 . 1 1 19 19 HIS N N 15 120.6 0.2 . 1 . . . A 19 HIS N . 18158 1 94 . 1 1 20 20 LEU H H 1 8.35 0.02 . 1 . . . A 20 LEU H . 18158 1 95 . 1 1 20 20 LEU HA H 1 4.02 0.02 . 1 . . . A 20 LEU HA . 18158 1 96 . 1 1 20 20 LEU HB2 H 1 1.79 0.02 . 2 . . . A 20 LEU HB2 . 18158 1 97 . 1 1 20 20 LEU HB3 H 1 1.51 0.02 . 2 . . . A 20 LEU HB3 . 18158 1 98 . 1 1 20 20 LEU HG H 1 1.66 0.02 . 1 . . . A 20 LEU HG . 18158 1 99 . 1 1 20 20 LEU HD11 H 1 0.84 0.02 . 2 . . . A 20 LEU HD1 . 18158 1 100 . 1 1 20 20 LEU HD12 H 1 0.84 0.02 . 2 . . . A 20 LEU HD1 . 18158 1 101 . 1 1 20 20 LEU HD13 H 1 0.84 0.02 . 2 . . . A 20 LEU HD1 . 18158 1 102 . 1 1 20 20 LEU HD21 H 1 0.75 0.02 . 2 . . . A 20 LEU HD2 . 18158 1 103 . 1 1 20 20 LEU HD22 H 1 0.75 0.02 . 2 . . . A 20 LEU HD2 . 18158 1 104 . 1 1 20 20 LEU HD23 H 1 0.75 0.02 . 2 . . . A 20 LEU HD2 . 18158 1 105 . 1 1 20 20 LEU C C 13 178.1 0.2 . 1 . . . A 20 LEU C . 18158 1 106 . 1 1 20 20 LEU CA C 13 58.2 0.2 . 1 . . . A 20 LEU CA . 18158 1 107 . 1 1 20 20 LEU CB C 13 41.5 0.2 . 1 . . . A 20 LEU CB . 18158 1 108 . 1 1 20 20 LEU CG C 13 27.1 0.2 . 1 . . . A 20 LEU CG . 18158 1 109 . 1 1 20 20 LEU CD1 C 13 24.4 0.2 . 2 . . . A 20 LEU CD1 . 18158 1 110 . 1 1 20 20 LEU CD2 C 13 24.3 0.2 . 2 . . . A 20 LEU CD2 . 18158 1 111 . 1 1 20 20 LEU N N 15 121.1 0.2 . 1 . . . A 20 LEU N . 18158 1 112 . 1 1 21 21 GLU H H 1 8.58 0.02 . 1 . . . A 21 GLU H . 18158 1 113 . 1 1 21 21 GLU HA H 1 3.79 0.02 . 1 . . . A 21 GLU HA . 18158 1 114 . 1 1 21 21 GLU HB2 H 1 2.02 0.02 . 2 . . . A 21 GLU HB2 . 18158 1 115 . 1 1 21 21 GLU HB3 H 1 2.02 0.02 . 2 . . . A 21 GLU HB3 . 18158 1 116 . 1 1 21 21 GLU HG2 H 1 2.46 0.02 . 2 . . . A 21 GLU HG2 . 18158 1 117 . 1 1 21 21 GLU HG3 H 1 2.14 0.02 . 2 . . . A 21 GLU HG3 . 18158 1 118 . 1 1 21 21 GLU C C 13 177.6 0.2 . 1 . . . A 21 GLU C . 18158 1 119 . 1 1 21 21 GLU CA C 13 60.2 0.2 . 1 . . . A 21 GLU CA . 18158 1 120 . 1 1 21 21 GLU CB C 13 29.3 0.2 . 1 . . . A 21 GLU CB . 18158 1 121 . 1 1 21 21 GLU CG C 13 35.4 0.2 . 1 . . . A 21 GLU CG . 18158 1 122 . 1 1 21 21 GLU N N 15 119.4 0.2 . 1 . . . A 21 GLU N . 18158 1 123 . 1 1 22 22 GLN H H 1 7.61 0.02 . 1 . . . A 22 GLN H . 18158 1 124 . 1 1 22 22 GLN HA H 1 3.94 0.02 . 1 . . . A 22 GLN HA . 18158 1 125 . 1 1 22 22 GLN HB2 H 1 2.15 0.02 . 2 . . . A 22 GLN HB2 . 18158 1 126 . 1 1 22 22 GLN HB3 H 1 2.15 0.02 . 2 . . . A 22 GLN HB3 . 18158 1 127 . 1 1 22 22 GLN HG2 H 1 2.49 0.02 . 2 . . . A 22 GLN HG2 . 18158 1 128 . 1 1 22 22 GLN HG3 H 1 2.41 0.02 . 2 . . . A 22 GLN HG3 . 18158 1 129 . 1 1 22 22 GLN HE21 H 1 7.49 0.02 . 2 . . . A 22 GLN HE21 . 18158 1 130 . 1 1 22 22 GLN HE22 H 1 6.83 0.02 . 2 . . . A 22 GLN HE22 . 18158 1 131 . 1 1 22 22 GLN C C 13 178.9 0.2 . 1 . . . A 22 GLN C . 18158 1 132 . 1 1 22 22 GLN CA C 13 59.1 0.2 . 1 . . . A 22 GLN CA . 18158 1 133 . 1 1 22 22 GLN CB C 13 28.3 0.2 . 1 . . . A 22 GLN CB . 18158 1 134 . 1 1 22 22 GLN CG C 13 34.1 0.2 . 1 . . . A 22 GLN CG . 18158 1 135 . 1 1 22 22 GLN CD C 13 180 0.2 . 1 . . . A 22 GLN CD . 18158 1 136 . 1 1 22 22 GLN N N 15 115.6 0.2 . 1 . . . A 22 GLN N . 18158 1 137 . 1 1 22 22 GLN NE2 N 15 112.3 0.2 . 1 . . . A 22 GLN NE2 . 18158 1 138 . 1 1 23 23 ARG H H 1 8 0.02 . 1 . . . A 23 ARG H . 18158 1 139 . 1 1 23 23 ARG HA H 1 4.12 0.02 . 1 . . . A 23 ARG HA . 18158 1 140 . 1 1 23 23 ARG HB2 H 1 2.01 0.02 . 2 . . . A 23 ARG HB2 . 18158 1 141 . 1 1 23 23 ARG HB3 H 1 1.91 0.02 . 2 . . . A 23 ARG HB3 . 18158 1 142 . 1 1 23 23 ARG HG2 H 1 1.71 0.02 . 2 . . . A 23 ARG HG2 . 18158 1 143 . 1 1 23 23 ARG HG3 H 1 1.71 0.02 . 2 . . . A 23 ARG HG3 . 18158 1 144 . 1 1 23 23 ARG HD2 H 1 3.34 0.02 . 2 . . . A 23 ARG HD2 . 18158 1 145 . 1 1 23 23 ARG HD3 H 1 3.18 0.02 . 2 . . . A 23 ARG HD3 . 18158 1 146 . 1 1 23 23 ARG HE H 1 7.02 0.02 . 1 . . . A 23 ARG HE . 18158 1 147 . 1 1 23 23 ARG C C 13 178 0.2 . 1 . . . A 23 ARG C . 18158 1 148 . 1 1 23 23 ARG CA C 13 58.3 0.2 . 1 . . . A 23 ARG CA . 18158 1 149 . 1 1 23 23 ARG CB C 13 29.4 0.2 . 1 . . . A 23 ARG CB . 18158 1 150 . 1 1 23 23 ARG CG C 13 27.5 0.2 . 1 . . . A 23 ARG CG . 18158 1 151 . 1 1 23 23 ARG CD C 13 42.6 0.2 . 1 . . . A 23 ARG CD . 18158 1 152 . 1 1 23 23 ARG CZ C 13 159.6 0.2 . 1 . . . A 23 ARG CZ . 18158 1 153 . 1 1 23 23 ARG N N 15 120.8 0.2 . 1 . . . A 23 ARG N . 18158 1 154 . 1 1 23 23 ARG NE N 15 84.2 0.2 . 1 . . . A 23 ARG NE . 18158 1 155 . 1 1 24 24 ILE H H 1 8.74 0.02 . 1 . . . A 24 ILE H . 18158 1 156 . 1 1 24 24 ILE HA H 1 3.24 0.02 . 1 . . . A 24 ILE HA . 18158 1 157 . 1 1 24 24 ILE HB H 1 1.78 0.02 . 1 . . . A 24 ILE HB . 18158 1 158 . 1 1 24 24 ILE HG12 H 1 1.84 0.02 . 2 . . . A 24 ILE HG12 . 18158 1 159 . 1 1 24 24 ILE HG13 H 1 0.62 0.02 . 2 . . . A 24 ILE HG13 . 18158 1 160 . 1 1 24 24 ILE HG21 H 1 0.6 0.02 . 1 . . . A 24 ILE HG2 . 18158 1 161 . 1 1 24 24 ILE HG22 H 1 0.6 0.02 . 1 . . . A 24 ILE HG2 . 18158 1 162 . 1 1 24 24 ILE HG23 H 1 0.6 0.02 . 1 . . . A 24 ILE HG2 . 18158 1 163 . 1 1 24 24 ILE HD11 H 1 0.62 0.02 . 1 . . . A 24 ILE HD1 . 18158 1 164 . 1 1 24 24 ILE HD12 H 1 0.62 0.02 . 1 . . . A 24 ILE HD1 . 18158 1 165 . 1 1 24 24 ILE HD13 H 1 0.62 0.02 . 1 . . . A 24 ILE HD1 . 18158 1 166 . 1 1 24 24 ILE C C 13 177.8 0.2 . 1 . . . A 24 ILE C . 18158 1 167 . 1 1 24 24 ILE CA C 13 66.1 0.2 . 1 . . . A 24 ILE CA . 18158 1 168 . 1 1 24 24 ILE CB C 13 38.7 0.2 . 1 . . . A 24 ILE CB . 18158 1 169 . 1 1 24 24 ILE CG1 C 13 30.5 0.2 . 1 . . . A 24 ILE CG1 . 18158 1 170 . 1 1 24 24 ILE CG2 C 13 18.1 0.2 . 1 . . . A 24 ILE CG2 . 18158 1 171 . 1 1 24 24 ILE CD1 C 13 15.3 0.2 . 1 . . . A 24 ILE CD1 . 18158 1 172 . 1 1 24 24 ILE N N 15 120 0.2 . 1 . . . A 24 ILE N . 18158 1 173 . 1 1 25 25 LEU H H 1 8.09 0.02 . 1 . . . A 25 LEU H . 18158 1 174 . 1 1 25 25 LEU HA H 1 3.83 0.02 . 1 . . . A 25 LEU HA . 18158 1 175 . 1 1 25 25 LEU HB2 H 1 1.88 0.02 . 2 . . . A 25 LEU HB2 . 18158 1 176 . 1 1 25 25 LEU HB3 H 1 1.45 0.02 . 2 . . . A 25 LEU HB3 . 18158 1 177 . 1 1 25 25 LEU HG H 1 1.74 0.02 . 1 . . . A 25 LEU HG . 18158 1 178 . 1 1 25 25 LEU HD11 H 1 0.88 0.02 . 2 . . . A 25 LEU HD1 . 18158 1 179 . 1 1 25 25 LEU HD12 H 1 0.88 0.02 . 2 . . . A 25 LEU HD1 . 18158 1 180 . 1 1 25 25 LEU HD13 H 1 0.88 0.02 . 2 . . . A 25 LEU HD1 . 18158 1 181 . 1 1 25 25 LEU HD21 H 1 0.71 0.02 . 2 . . . A 25 LEU HD2 . 18158 1 182 . 1 1 25 25 LEU HD22 H 1 0.71 0.02 . 2 . . . A 25 LEU HD2 . 18158 1 183 . 1 1 25 25 LEU HD23 H 1 0.71 0.02 . 2 . . . A 25 LEU HD2 . 18158 1 184 . 1 1 25 25 LEU C C 13 180.3 0.2 . 1 . . . A 25 LEU C . 18158 1 185 . 1 1 25 25 LEU CA C 13 58.5 0.2 . 1 . . . A 25 LEU CA . 18158 1 186 . 1 1 25 25 LEU CB C 13 41.3 0.2 . 1 . . . A 25 LEU CB . 18158 1 187 . 1 1 25 25 LEU CG C 13 27 0.2 . 1 . . . A 25 LEU CG . 18158 1 188 . 1 1 25 25 LEU CD1 C 13 25.8 0.2 . 2 . . . A 25 LEU CD1 . 18158 1 189 . 1 1 25 25 LEU CD2 C 13 23 0.2 . 2 . . . A 25 LEU CD2 . 18158 1 190 . 1 1 25 25 LEU N N 15 117.1 0.2 . 1 . . . A 25 LEU N . 18158 1 191 . 1 1 26 26 GLN H H 1 8.23 0.02 . 1 . . . A 26 GLN H . 18158 1 192 . 1 1 26 26 GLN HA H 1 4.03 0.02 . 1 . . . A 26 GLN HA . 18158 1 193 . 1 1 26 26 GLN HB2 H 1 2.25 0.02 . 2 . . . A 26 GLN HB2 . 18158 1 194 . 1 1 26 26 GLN HB3 H 1 2.25 0.02 . 2 . . . A 26 GLN HB3 . 18158 1 195 . 1 1 26 26 GLN HG2 H 1 2.52 0.02 . 2 . . . A 26 GLN HG2 . 18158 1 196 . 1 1 26 26 GLN HG3 H 1 2.32 0.02 . 2 . . . A 26 GLN HG3 . 18158 1 197 . 1 1 26 26 GLN HE21 H 1 7.72 0.02 . 2 . . . A 26 GLN HE21 . 18158 1 198 . 1 1 26 26 GLN HE22 H 1 6.79 0.02 . 2 . . . A 26 GLN HE22 . 18158 1 199 . 1 1 26 26 GLN C C 13 178.1 0.2 . 1 . . . A 26 GLN C . 18158 1 200 . 1 1 26 26 GLN CA C 13 59.8 0.2 . 1 . . . A 26 GLN CA . 18158 1 201 . 1 1 26 26 GLN CB C 13 28.1 0.2 . 1 . . . A 26 GLN CB . 18158 1 202 . 1 1 26 26 GLN CG C 13 33.4 0.2 . 1 . . . A 26 GLN CG . 18158 1 203 . 1 1 26 26 GLN CD C 13 180.2 0.2 . 1 . . . A 26 GLN CD . 18158 1 204 . 1 1 26 26 GLN N N 15 122.7 0.2 . 1 . . . A 26 GLN N . 18158 1 205 . 1 1 26 26 GLN NE2 N 15 112 0.2 . 1 . . . A 26 GLN NE2 . 18158 1 206 . 1 1 27 27 VAL H H 1 8.33 0.02 . 1 . . . A 27 VAL H . 18158 1 207 . 1 1 27 27 VAL HA H 1 3.68 0.02 . 1 . . . A 27 VAL HA . 18158 1 208 . 1 1 27 27 VAL HB H 1 2.01 0.02 . 1 . . . A 27 VAL HB . 18158 1 209 . 1 1 27 27 VAL HG11 H 1 0.88 0.02 . 2 . . . A 27 VAL HG1 . 18158 1 210 . 1 1 27 27 VAL HG12 H 1 0.88 0.02 . 2 . . . A 27 VAL HG1 . 18158 1 211 . 1 1 27 27 VAL HG13 H 1 0.88 0.02 . 2 . . . A 27 VAL HG1 . 18158 1 212 . 1 1 27 27 VAL HG21 H 1 1.04 0.02 . 2 . . . A 27 VAL HG2 . 18158 1 213 . 1 1 27 27 VAL HG22 H 1 1.04 0.02 . 2 . . . A 27 VAL HG2 . 18158 1 214 . 1 1 27 27 VAL HG23 H 1 1.04 0.02 . 2 . . . A 27 VAL HG2 . 18158 1 215 . 1 1 27 27 VAL C C 13 179.6 0.2 . 1 . . . A 27 VAL C . 18158 1 216 . 1 1 27 27 VAL CA C 13 66.4 0.2 . 1 . . . A 27 VAL CA . 18158 1 217 . 1 1 27 27 VAL CB C 13 31.7 0.2 . 1 . . . A 27 VAL CB . 18158 1 218 . 1 1 27 27 VAL CG1 C 13 21.8 0.2 . 2 . . . A 27 VAL CG1 . 18158 1 219 . 1 1 27 27 VAL CG2 C 13 23.3 0.2 . 2 . . . A 27 VAL CG2 . 18158 1 220 . 1 1 27 27 VAL N N 15 120.7 0.2 . 1 . . . A 27 VAL N . 18158 1 221 . 1 1 28 28 LEU H H 1 8.65 0.02 . 1 . . . A 28 LEU H . 18158 1 222 . 1 1 28 28 LEU HA H 1 4.13 0.02 . 1 . . . A 28 LEU HA . 18158 1 223 . 1 1 28 28 LEU HB2 H 1 1.87 0.02 . 2 . . . A 28 LEU HB2 . 18158 1 224 . 1 1 28 28 LEU HB3 H 1 1.57 0.02 . 2 . . . A 28 LEU HB3 . 18158 1 225 . 1 1 28 28 LEU HG H 1 1.97 0.02 . 1 . . . A 28 LEU HG . 18158 1 226 . 1 1 28 28 LEU HD11 H 1 0.66 0.02 . 2 . . . A 28 LEU HD1 . 18158 1 227 . 1 1 28 28 LEU HD12 H 1 0.66 0.02 . 2 . . . A 28 LEU HD1 . 18158 1 228 . 1 1 28 28 LEU HD13 H 1 0.66 0.02 . 2 . . . A 28 LEU HD1 . 18158 1 229 . 1 1 28 28 LEU HD21 H 1 0.85 0.02 . 2 . . . A 28 LEU HD2 . 18158 1 230 . 1 1 28 28 LEU HD22 H 1 0.85 0.02 . 2 . . . A 28 LEU HD2 . 18158 1 231 . 1 1 28 28 LEU HD23 H 1 0.85 0.02 . 2 . . . A 28 LEU HD2 . 18158 1 232 . 1 1 28 28 LEU C C 13 180.5 0.2 . 1 . . . A 28 LEU C . 18158 1 233 . 1 1 28 28 LEU CA C 13 58.2 0.2 . 1 . . . A 28 LEU CA . 18158 1 234 . 1 1 28 28 LEU CB C 13 41.8 0.2 . 1 . . . A 28 LEU CB . 18158 1 235 . 1 1 28 28 LEU CG C 13 26.8 0.2 . 1 . . . A 28 LEU CG . 18158 1 236 . 1 1 28 28 LEU CD1 C 13 27 0.2 . 2 . . . A 28 LEU CD1 . 18158 1 237 . 1 1 28 28 LEU CD2 C 13 23.4 0.2 . 2 . . . A 28 LEU CD2 . 18158 1 238 . 1 1 28 28 LEU N N 15 117.5 0.2 . 1 . . . A 28 LEU N . 18158 1 239 . 1 1 29 29 THR H H 1 8.45 0.02 . 1 . . . A 29 THR H . 18158 1 240 . 1 1 29 29 THR HA H 1 3.96 0.02 . 1 . . . A 29 THR HA . 18158 1 241 . 1 1 29 29 THR HB H 1 4.35 0.02 . 1 . . . A 29 THR HB . 18158 1 242 . 1 1 29 29 THR HG21 H 1 1.22 0.02 . 1 . . . A 29 THR HG2 . 18158 1 243 . 1 1 29 29 THR HG22 H 1 1.22 0.02 . 1 . . . A 29 THR HG2 . 18158 1 244 . 1 1 29 29 THR HG23 H 1 1.22 0.02 . 1 . . . A 29 THR HG2 . 18158 1 245 . 1 1 29 29 THR C C 13 176.5 0.2 . 1 . . . A 29 THR C . 18158 1 246 . 1 1 29 29 THR CA C 13 67 0.2 . 1 . . . A 29 THR CA . 18158 1 247 . 1 1 29 29 THR CB C 13 68.8 0.2 . 1 . . . A 29 THR CB . 18158 1 248 . 1 1 29 29 THR CG2 C 13 20.8 0.2 . 1 . . . A 29 THR CG2 . 18158 1 249 . 1 1 29 29 THR N N 15 118 0.2 . 1 . . . A 29 THR N . 18158 1 250 . 1 1 30 30 GLU H H 1 8.29 0.02 . 1 . . . A 30 GLU H . 18158 1 251 . 1 1 30 30 GLU HA H 1 3.98 0.02 . 1 . . . A 30 GLU HA . 18158 1 252 . 1 1 30 30 GLU HB2 H 1 2.08 0.02 . 2 . . . A 30 GLU HB2 . 18158 1 253 . 1 1 30 30 GLU HB3 H 1 2.05 0.02 . 2 . . . A 30 GLU HB3 . 18158 1 254 . 1 1 30 30 GLU HG2 H 1 2.49 0.02 . 2 . . . A 30 GLU HG2 . 18158 1 255 . 1 1 30 30 GLU HG3 H 1 2.3 0.02 . 2 . . . A 30 GLU HG3 . 18158 1 256 . 1 1 30 30 GLU C C 13 178.3 0.2 . 1 . . . A 30 GLU C . 18158 1 257 . 1 1 30 30 GLU CA C 13 58.9 0.2 . 1 . . . A 30 GLU CA . 18158 1 258 . 1 1 30 30 GLU CB C 13 29.5 0.2 . 1 . . . A 30 GLU CB . 18158 1 259 . 1 1 30 30 GLU CG C 13 36.7 0.2 . 1 . . . A 30 GLU CG . 18158 1 260 . 1 1 30 30 GLU N N 15 121.4 0.2 . 1 . . . A 30 GLU N . 18158 1 261 . 1 1 31 31 ALA H H 1 7.85 0.02 . 1 . . . A 31 ALA H . 18158 1 262 . 1 1 31 31 ALA HA H 1 4.16 0.02 . 1 . . . A 31 ALA HA . 18158 1 263 . 1 1 31 31 ALA HB1 H 1 1.53 0.02 . 1 . . . A 31 ALA HB . 18158 1 264 . 1 1 31 31 ALA HB2 H 1 1.53 0.02 . 1 . . . A 31 ALA HB . 18158 1 265 . 1 1 31 31 ALA HB3 H 1 1.53 0.02 . 1 . . . A 31 ALA HB . 18158 1 266 . 1 1 31 31 ALA C C 13 180.3 0.2 . 1 . . . A 31 ALA C . 18158 1 267 . 1 1 31 31 ALA CA C 13 54.8 0.2 . 1 . . . A 31 ALA CA . 18158 1 268 . 1 1 31 31 ALA CB C 13 20 0.2 . 1 . . . A 31 ALA CB . 18158 1 269 . 1 1 31 31 ALA N N 15 119 0.2 . 1 . . . A 31 ALA N . 18158 1 270 . 1 1 32 32 GLY H H 1 7.56 0.02 . 1 . . . A 32 GLY H . 18158 1 271 . 1 1 32 32 GLY HA2 H 1 3.99 0.02 . 2 . . . A 32 GLY HA2 . 18158 1 272 . 1 1 32 32 GLY HA3 H 1 3.92 0.02 . 2 . . . A 32 GLY HA3 . 18158 1 273 . 1 1 32 32 GLY C C 13 172.7 0.2 . 1 . . . A 32 GLY C . 18158 1 274 . 1 1 32 32 GLY CA C 13 46.6 0.2 . 1 . . . A 32 GLY CA . 18158 1 275 . 1 1 32 32 GLY N N 15 102.9 0.2 . 1 . . . A 32 GLY N . 18158 1 276 . 1 1 33 33 SER H H 1 7.44 0.02 . 1 . . . A 33 SER H . 18158 1 277 . 1 1 33 33 SER HA H 1 4.92 0.02 . 1 . . . A 33 SER HA . 18158 1 278 . 1 1 33 33 SER HB2 H 1 3.93 0.02 . 2 . . . A 33 SER HB2 . 18158 1 279 . 1 1 33 33 SER HB3 H 1 3.93 0.02 . 2 . . . A 33 SER HB3 . 18158 1 280 . 1 1 33 33 SER CA C 13 56.6 0.2 . 1 . . . A 33 SER CA . 18158 1 281 . 1 1 33 33 SER CB C 13 63.9 0.2 . 1 . . . A 33 SER CB . 18158 1 282 . 1 1 33 33 SER N N 15 112.3 0.2 . 1 . . . A 33 SER N . 18158 1 283 . 1 1 34 34 PRO HA H 1 4.72 0.02 . 1 . . . A 34 PRO HA . 18158 1 284 . 1 1 34 34 PRO HB2 H 1 2.13 0.02 . 2 . . . A 34 PRO HB2 . 18158 1 285 . 1 1 34 34 PRO HB3 H 1 1.61 0.02 . 2 . . . A 34 PRO HB3 . 18158 1 286 . 1 1 34 34 PRO HG2 H 1 2.1 0.02 . 2 . . . A 34 PRO HG2 . 18158 1 287 . 1 1 34 34 PRO HG3 H 1 1.76 0.02 . 2 . . . A 34 PRO HG3 . 18158 1 288 . 1 1 34 34 PRO HD2 H 1 3.93 0.02 . 2 . . . A 34 PRO HD2 . 18158 1 289 . 1 1 34 34 PRO HD3 H 1 3.57 0.02 . 2 . . . A 34 PRO HD3 . 18158 1 290 . 1 1 34 34 PRO C C 13 176.7 0.2 . 1 . . . A 34 PRO C . 18158 1 291 . 1 1 34 34 PRO CA C 13 63.5 0.2 . 1 . . . A 34 PRO CA . 18158 1 292 . 1 1 34 34 PRO CB C 13 32.6 0.2 . 1 . . . A 34 PRO CB . 18158 1 293 . 1 1 34 34 PRO CG C 13 28.8 0.2 . 1 . . . A 34 PRO CG . 18158 1 294 . 1 1 34 34 PRO CD C 13 51.1 0.2 . 1 . . . A 34 PRO CD . 18158 1 295 . 1 1 35 35 VAL H H 1 9.67 0.02 . 1 . . . A 35 VAL H . 18158 1 296 . 1 1 35 35 VAL HA H 1 4.31 0.02 . 1 . . . A 35 VAL HA . 18158 1 297 . 1 1 35 35 VAL HB H 1 1.82 0.02 . 1 . . . A 35 VAL HB . 18158 1 298 . 1 1 35 35 VAL HG11 H 1 1.01 0.02 . 2 . . . A 35 VAL HG1 . 18158 1 299 . 1 1 35 35 VAL HG12 H 1 1.01 0.02 . 2 . . . A 35 VAL HG1 . 18158 1 300 . 1 1 35 35 VAL HG13 H 1 1.01 0.02 . 2 . . . A 35 VAL HG1 . 18158 1 301 . 1 1 35 35 VAL HG21 H 1 0.98 0.02 . 2 . . . A 35 VAL HG2 . 18158 1 302 . 1 1 35 35 VAL HG22 H 1 0.98 0.02 . 2 . . . A 35 VAL HG2 . 18158 1 303 . 1 1 35 35 VAL HG23 H 1 0.98 0.02 . 2 . . . A 35 VAL HG2 . 18158 1 304 . 1 1 35 35 VAL C C 13 175.3 0.2 . 1 . . . A 35 VAL C . 18158 1 305 . 1 1 35 35 VAL CA C 13 61.7 0.2 . 1 . . . A 35 VAL CA . 18158 1 306 . 1 1 35 35 VAL CB C 13 35.7 0.2 . 1 . . . A 35 VAL CB . 18158 1 307 . 1 1 35 35 VAL CG1 C 13 22 0.2 . 2 . . . A 35 VAL CG1 . 18158 1 308 . 1 1 35 35 VAL CG2 C 13 23 0.2 . 2 . . . A 35 VAL CG2 . 18158 1 309 . 1 1 35 35 VAL N N 15 125.1 0.2 . 1 . . . A 35 VAL N . 18158 1 310 . 1 1 36 36 LYS H H 1 8.85 0.02 . 1 . . . A 36 LYS H . 18158 1 311 . 1 1 36 36 LYS HA H 1 4.83 0.02 . 1 . . . A 36 LYS HA . 18158 1 312 . 1 1 36 36 LYS HB2 H 1 2.27 0.02 . 2 . . . A 36 LYS HB2 . 18158 1 313 . 1 1 36 36 LYS HB3 H 1 1.91 0.02 . 2 . . . A 36 LYS HB3 . 18158 1 314 . 1 1 36 36 LYS HG2 H 1 1.68 0.02 . 2 . . . A 36 LYS HG2 . 18158 1 315 . 1 1 36 36 LYS HG3 H 1 1.68 0.02 . 2 . . . A 36 LYS HG3 . 18158 1 316 . 1 1 36 36 LYS HD2 H 1 1.79 0.02 . 2 . . . A 36 LYS HD2 . 18158 1 317 . 1 1 36 36 LYS HD3 H 1 1.79 0.02 . 2 . . . A 36 LYS HD3 . 18158 1 318 . 1 1 36 36 LYS HE2 H 1 3.04 0.02 . 2 . . . A 36 LYS HE2 . 18158 1 319 . 1 1 36 36 LYS HE3 H 1 3.04 0.02 . 2 . . . A 36 LYS HE3 . 18158 1 320 . 1 1 36 36 LYS C C 13 179.1 0.2 . 1 . . . A 36 LYS C . 18158 1 321 . 1 1 36 36 LYS CA C 13 56.6 0.2 . 1 . . . A 36 LYS CA . 18158 1 322 . 1 1 36 36 LYS CB C 13 33.4 0.2 . 1 . . . A 36 LYS CB . 18158 1 323 . 1 1 36 36 LYS CG C 13 25.8 0.2 . 1 . . . A 36 LYS CG . 18158 1 324 . 1 1 36 36 LYS CD C 13 29.2 0.2 . 1 . . . A 36 LYS CD . 18158 1 325 . 1 1 36 36 LYS CE C 13 42.2 0.2 . 1 . . . A 36 LYS CE . 18158 1 326 . 1 1 36 36 LYS N N 15 125.9 0.2 . 1 . . . A 36 LYS N . 18158 1 327 . 1 1 37 37 LEU H H 1 9.15 0.02 . 1 . . . A 37 LEU H . 18158 1 328 . 1 1 37 37 LEU HA H 1 4.13 0.02 . 1 . . . A 37 LEU HA . 18158 1 329 . 1 1 37 37 LEU HB2 H 1 2.19 0.02 . 2 . . . A 37 LEU HB2 . 18158 1 330 . 1 1 37 37 LEU HB3 H 1 1.82 0.02 . 2 . . . A 37 LEU HB3 . 18158 1 331 . 1 1 37 37 LEU HG H 1 1.69 0.02 . 1 . . . A 37 LEU HG . 18158 1 332 . 1 1 37 37 LEU HD11 H 1 0.9 0.02 . 2 . . . A 37 LEU HD1 . 18158 1 333 . 1 1 37 37 LEU HD12 H 1 0.9 0.02 . 2 . . . A 37 LEU HD1 . 18158 1 334 . 1 1 37 37 LEU HD13 H 1 0.9 0.02 . 2 . . . A 37 LEU HD1 . 18158 1 335 . 1 1 37 37 LEU HD21 H 1 1.15 0.02 . 2 . . . A 37 LEU HD2 . 18158 1 336 . 1 1 37 37 LEU HD22 H 1 1.15 0.02 . 2 . . . A 37 LEU HD2 . 18158 1 337 . 1 1 37 37 LEU HD23 H 1 1.15 0.02 . 2 . . . A 37 LEU HD2 . 18158 1 338 . 1 1 37 37 LEU C C 13 177.9 0.2 . 1 . . . A 37 LEU C . 18158 1 339 . 1 1 37 37 LEU CA C 13 58.7 0.2 . 1 . . . A 37 LEU CA . 18158 1 340 . 1 1 37 37 LEU CB C 13 42.4 0.2 . 1 . . . A 37 LEU CB . 18158 1 341 . 1 1 37 37 LEU CG C 13 27.3 0.2 . 1 . . . A 37 LEU CG . 18158 1 342 . 1 1 37 37 LEU CD1 C 13 23.7 0.2 . 2 . . . A 37 LEU CD1 . 18158 1 343 . 1 1 37 37 LEU CD2 C 13 26.2 0.2 . 2 . . . A 37 LEU CD2 . 18158 1 344 . 1 1 37 37 LEU N N 15 124.4 0.2 . 1 . . . A 37 LEU N . 18158 1 345 . 1 1 38 38 ALA H H 1 8.85 0.02 . 1 . . . A 38 ALA H . 18158 1 346 . 1 1 38 38 ALA HA H 1 4.04 0.02 . 1 . . . A 38 ALA HA . 18158 1 347 . 1 1 38 38 ALA HB1 H 1 1.5 0.02 . 1 . . . A 38 ALA HB . 18158 1 348 . 1 1 38 38 ALA HB2 H 1 1.5 0.02 . 1 . . . A 38 ALA HB . 18158 1 349 . 1 1 38 38 ALA HB3 H 1 1.5 0.02 . 1 . . . A 38 ALA HB . 18158 1 350 . 1 1 38 38 ALA C C 13 180.3 0.2 . 1 . . . A 38 ALA C . 18158 1 351 . 1 1 38 38 ALA CA C 13 55.7 0.2 . 1 . . . A 38 ALA CA . 18158 1 352 . 1 1 38 38 ALA CB C 13 18.7 0.2 . 1 . . . A 38 ALA CB . 18158 1 353 . 1 1 38 38 ALA N N 15 117.4 0.2 . 1 . . . A 38 ALA N . 18158 1 354 . 1 1 39 39 GLN H H 1 7.36 0.02 . 1 . . . A 39 GLN H . 18158 1 355 . 1 1 39 39 GLN HA H 1 4.26 0.02 . 1 . . . A 39 GLN HA . 18158 1 356 . 1 1 39 39 GLN HB2 H 1 2.31 0.02 . 2 . . . A 39 GLN HB2 . 18158 1 357 . 1 1 39 39 GLN HB3 H 1 2.2 0.02 . 2 . . . A 39 GLN HB3 . 18158 1 358 . 1 1 39 39 GLN HG2 H 1 2.49 0.02 . 2 . . . A 39 GLN HG2 . 18158 1 359 . 1 1 39 39 GLN HG3 H 1 2.41 0.02 . 2 . . . A 39 GLN HG3 . 18158 1 360 . 1 1 39 39 GLN HE21 H 1 7.99 0.02 . 2 . . . A 39 GLN HE21 . 18158 1 361 . 1 1 39 39 GLN HE22 H 1 6.93 0.02 . 2 . . . A 39 GLN HE22 . 18158 1 362 . 1 1 39 39 GLN C C 13 178.2 0.2 . 1 . . . A 39 GLN C . 18158 1 363 . 1 1 39 39 GLN CA C 13 58.2 0.2 . 1 . . . A 39 GLN CA . 18158 1 364 . 1 1 39 39 GLN CB C 13 28.2 0.2 . 1 . . . A 39 GLN CB . 18158 1 365 . 1 1 39 39 GLN CG C 13 33.5 0.2 . 1 . . . A 39 GLN CG . 18158 1 366 . 1 1 39 39 GLN CD C 13 179.4 0.2 . 1 . . . A 39 GLN CD . 18158 1 367 . 1 1 39 39 GLN N N 15 117.2 0.2 . 1 . . . A 39 GLN N . 18158 1 368 . 1 1 39 39 GLN NE2 N 15 112.5 0.2 . 1 . . . A 39 GLN NE2 . 18158 1 369 . 1 1 40 40 LEU H H 1 7.77 0.02 . 1 . . . A 40 LEU H . 18158 1 370 . 1 1 40 40 LEU HA H 1 3.98 0.02 . 1 . . . A 40 LEU HA . 18158 1 371 . 1 1 40 40 LEU HB2 H 1 2.17 0.02 . 2 . . . A 40 LEU HB2 . 18158 1 372 . 1 1 40 40 LEU HB3 H 1 1.38 0.02 . 2 . . . A 40 LEU HB3 . 18158 1 373 . 1 1 40 40 LEU HG H 1 1.69 0.02 . 1 . . . A 40 LEU HG . 18158 1 374 . 1 1 40 40 LEU HD11 H 1 0.76 0.02 . 2 . . . A 40 LEU HD1 . 18158 1 375 . 1 1 40 40 LEU HD12 H 1 0.76 0.02 . 2 . . . A 40 LEU HD1 . 18158 1 376 . 1 1 40 40 LEU HD13 H 1 0.76 0.02 . 2 . . . A 40 LEU HD1 . 18158 1 377 . 1 1 40 40 LEU HD21 H 1 0.74 0.02 . 2 . . . A 40 LEU HD2 . 18158 1 378 . 1 1 40 40 LEU HD22 H 1 0.74 0.02 . 2 . . . A 40 LEU HD2 . 18158 1 379 . 1 1 40 40 LEU HD23 H 1 0.74 0.02 . 2 . . . A 40 LEU HD2 . 18158 1 380 . 1 1 40 40 LEU C C 13 178.6 0.2 . 1 . . . A 40 LEU C . 18158 1 381 . 1 1 40 40 LEU CA C 13 58.9 0.2 . 1 . . . A 40 LEU CA . 18158 1 382 . 1 1 40 40 LEU CB C 13 42.2 0.2 . 1 . . . A 40 LEU CB . 18158 1 383 . 1 1 40 40 LEU CG C 13 27.2 0.2 . 1 . . . A 40 LEU CG . 18158 1 384 . 1 1 40 40 LEU CD1 C 13 26.4 0.2 . 2 . . . A 40 LEU CD1 . 18158 1 385 . 1 1 40 40 LEU CD2 C 13 24.3 0.2 . 2 . . . A 40 LEU CD2 . 18158 1 386 . 1 1 40 40 LEU N N 15 120.8 0.2 . 1 . . . A 40 LEU N . 18158 1 387 . 1 1 41 41 VAL H H 1 8.6 0.02 . 1 . . . A 41 VAL H . 18158 1 388 . 1 1 41 41 VAL HA H 1 3.8 0.02 . 1 . . . A 41 VAL HA . 18158 1 389 . 1 1 41 41 VAL HB H 1 2.15 0.02 . 1 . . . A 41 VAL HB . 18158 1 390 . 1 1 41 41 VAL HG11 H 1 1 0.02 . 2 . . . A 41 VAL HG1 . 18158 1 391 . 1 1 41 41 VAL HG12 H 1 1 0.02 . 2 . . . A 41 VAL HG1 . 18158 1 392 . 1 1 41 41 VAL HG13 H 1 1 0.02 . 2 . . . A 41 VAL HG1 . 18158 1 393 . 1 1 41 41 VAL HG21 H 1 1.03 0.02 . 2 . . . A 41 VAL HG2 . 18158 1 394 . 1 1 41 41 VAL HG22 H 1 1.03 0.02 . 2 . . . A 41 VAL HG2 . 18158 1 395 . 1 1 41 41 VAL HG23 H 1 1.03 0.02 . 2 . . . A 41 VAL HG2 . 18158 1 396 . 1 1 41 41 VAL C C 13 178.8 0.2 . 1 . . . A 41 VAL C . 18158 1 397 . 1 1 41 41 VAL CA C 13 66.1 0.2 . 1 . . . A 41 VAL CA . 18158 1 398 . 1 1 41 41 VAL CB C 13 32.5 0.2 . 1 . . . A 41 VAL CB . 18158 1 399 . 1 1 41 41 VAL CG1 C 13 20.6 0.2 . 2 . . . A 41 VAL CG1 . 18158 1 400 . 1 1 41 41 VAL CG2 C 13 23 0.2 . 2 . . . A 41 VAL CG2 . 18158 1 401 . 1 1 41 41 VAL N N 15 120.7 0.2 . 1 . . . A 41 VAL N . 18158 1 402 . 1 1 42 42 LYS H H 1 7.03 0.02 . 1 . . . A 42 LYS H . 18158 1 403 . 1 1 42 42 LYS HA H 1 4.07 0.02 . 1 . . . A 42 LYS HA . 18158 1 404 . 1 1 42 42 LYS HB2 H 1 2 0.02 . 2 . . . A 42 LYS HB2 . 18158 1 405 . 1 1 42 42 LYS HB3 H 1 2 0.02 . 2 . . . A 42 LYS HB3 . 18158 1 406 . 1 1 42 42 LYS HG2 H 1 1.57 0.02 . 2 . . . A 42 LYS HG2 . 18158 1 407 . 1 1 42 42 LYS HG3 H 1 1.43 0.02 . 2 . . . A 42 LYS HG3 . 18158 1 408 . 1 1 42 42 LYS HD2 H 1 1.73 0.02 . 2 . . . A 42 LYS HD2 . 18158 1 409 . 1 1 42 42 LYS HD3 H 1 1.73 0.02 . 2 . . . A 42 LYS HD3 . 18158 1 410 . 1 1 42 42 LYS HE2 H 1 3.03 0.02 . 2 . . . A 42 LYS HE2 . 18158 1 411 . 1 1 42 42 LYS HE3 H 1 3.03 0.02 . 2 . . . A 42 LYS HE3 . 18158 1 412 . 1 1 42 42 LYS C C 13 179.4 0.2 . 1 . . . A 42 LYS C . 18158 1 413 . 1 1 42 42 LYS CA C 13 59.3 0.2 . 1 . . . A 42 LYS CA . 18158 1 414 . 1 1 42 42 LYS CB C 13 33 0.2 . 1 . . . A 42 LYS CB . 18158 1 415 . 1 1 42 42 LYS CG C 13 24.9 0.2 . 1 . . . A 42 LYS CG . 18158 1 416 . 1 1 42 42 LYS CD C 13 29.5 0.2 . 1 . . . A 42 LYS CD . 18158 1 417 . 1 1 42 42 LYS CE C 13 42.2 0.2 . 1 . . . A 42 LYS CE . 18158 1 418 . 1 1 42 42 LYS N N 15 118.2 0.2 . 1 . . . A 42 LYS N . 18158 1 419 . 1 1 43 43 GLU H H 1 8.53 0.02 . 1 . . . A 43 GLU H . 18158 1 420 . 1 1 43 43 GLU HA H 1 4.27 0.02 . 1 . . . A 43 GLU HA . 18158 1 421 . 1 1 43 43 GLU HB2 H 1 2.23 0.02 . 2 . . . A 43 GLU HB2 . 18158 1 422 . 1 1 43 43 GLU HB3 H 1 1.89 0.02 . 2 . . . A 43 GLU HB3 . 18158 1 423 . 1 1 43 43 GLU HG2 H 1 2.43 0.02 . 2 . . . A 43 GLU HG2 . 18158 1 424 . 1 1 43 43 GLU HG3 H 1 2.43 0.02 . 2 . . . A 43 GLU HG3 . 18158 1 425 . 1 1 43 43 GLU C C 13 179.2 0.2 . 1 . . . A 43 GLU C . 18158 1 426 . 1 1 43 43 GLU CA C 13 58.8 0.2 . 1 . . . A 43 GLU CA . 18158 1 427 . 1 1 43 43 GLU CB C 13 31.2 0.2 . 1 . . . A 43 GLU CB . 18158 1 428 . 1 1 43 43 GLU CG C 13 36.2 0.2 . 1 . . . A 43 GLU CG . 18158 1 429 . 1 1 43 43 GLU N N 15 116.1 0.2 . 1 . . . A 43 GLU N . 18158 1 430 . 1 1 44 44 CYS H H 1 8.74 0.02 . 1 . . . A 44 CYS H . 18158 1 431 . 1 1 44 44 CYS HA H 1 4.27 0.02 . 1 . . . A 44 CYS HA . 18158 1 432 . 1 1 44 44 CYS HB2 H 1 2.92 0.02 . 2 . . . A 44 CYS HB2 . 18158 1 433 . 1 1 44 44 CYS HB3 H 1 2.7 0.02 . 2 . . . A 44 CYS HB3 . 18158 1 434 . 1 1 44 44 CYS C C 13 173.5 0.2 . 1 . . . A 44 CYS C . 18158 1 435 . 1 1 44 44 CYS CA C 13 60.2 0.2 . 1 . . . A 44 CYS CA . 18158 1 436 . 1 1 44 44 CYS CB C 13 28.1 0.2 . 1 . . . A 44 CYS CB . 18158 1 437 . 1 1 44 44 CYS N N 15 113.6 0.2 . 1 . . . A 44 CYS N . 18158 1 438 . 1 1 45 45 GLN H H 1 7.63 0.02 . 1 . . . A 45 GLN H . 18158 1 439 . 1 1 45 45 GLN HA H 1 3.89 0.02 . 1 . . . A 45 GLN HA . 18158 1 440 . 1 1 45 45 GLN HB2 H 1 2.21 0.02 . 2 . . . A 45 GLN HB2 . 18158 1 441 . 1 1 45 45 GLN HB3 H 1 2.14 0.02 . 2 . . . A 45 GLN HB3 . 18158 1 442 . 1 1 45 45 GLN HG2 H 1 2.31 0.02 . 2 . . . A 45 GLN HG2 . 18158 1 443 . 1 1 45 45 GLN HG3 H 1 2.21 0.02 . 2 . . . A 45 GLN HG3 . 18158 1 444 . 1 1 45 45 GLN HE21 H 1 7.69 0.02 . 2 . . . A 45 GLN HE21 . 18158 1 445 . 1 1 45 45 GLN HE22 H 1 6.83 0.02 . 2 . . . A 45 GLN HE22 . 18158 1 446 . 1 1 45 45 GLN C C 13 173.5 0.2 . 1 . . . A 45 GLN C . 18158 1 447 . 1 1 45 45 GLN CA C 13 56.5 0.2 . 1 . . . A 45 GLN CA . 18158 1 448 . 1 1 45 45 GLN CB C 13 26.3 0.2 . 1 . . . A 45 GLN CB . 18158 1 449 . 1 1 45 45 GLN CG C 13 34.3 0.2 . 1 . . . A 45 GLN CG . 18158 1 450 . 1 1 45 45 GLN N N 15 114.9 0.2 . 1 . . . A 45 GLN N . 18158 1 451 . 1 1 45 45 GLN NE2 N 15 113 0.2 . 1 . . . A 45 GLN NE2 . 18158 1 452 . 1 1 46 46 ALA H H 1 7.3 0.02 . 1 . . . A 46 ALA H . 18158 1 453 . 1 1 46 46 ALA HA H 1 4.89 0.02 . 1 . . . A 46 ALA HA . 18158 1 454 . 1 1 46 46 ALA HB1 H 1 1.14 0.02 . 1 . . . A 46 ALA HB . 18158 1 455 . 1 1 46 46 ALA HB2 H 1 1.14 0.02 . 1 . . . A 46 ALA HB . 18158 1 456 . 1 1 46 46 ALA HB3 H 1 1.14 0.02 . 1 . . . A 46 ALA HB . 18158 1 457 . 1 1 46 46 ALA CA C 13 49.1 0.2 . 1 . . . A 46 ALA CA . 18158 1 458 . 1 1 46 46 ALA CB C 13 21.9 0.2 . 1 . . . A 46 ALA CB . 18158 1 459 . 1 1 46 46 ALA N N 15 120.4 0.2 . 1 . . . A 46 ALA N . 18158 1 460 . 1 1 47 47 PRO HA H 1 4.56 0.02 . 1 . . . A 47 PRO HA . 18158 1 461 . 1 1 47 47 PRO HB2 H 1 2.45 0.02 . 2 . . . A 47 PRO HB2 . 18158 1 462 . 1 1 47 47 PRO HB3 H 1 2.07 0.02 . 2 . . . A 47 PRO HB3 . 18158 1 463 . 1 1 47 47 PRO HG2 H 1 2.05 0.02 . 2 . . . A 47 PRO HG2 . 18158 1 464 . 1 1 47 47 PRO HG3 H 1 2.05 0.02 . 2 . . . A 47 PRO HG3 . 18158 1 465 . 1 1 47 47 PRO HD2 H 1 3.76 0.02 . 2 . . . A 47 PRO HD2 . 18158 1 466 . 1 1 47 47 PRO HD3 H 1 3.76 0.02 . 2 . . . A 47 PRO HD3 . 18158 1 467 . 1 1 47 47 PRO C C 13 177.6 0.2 . 1 . . . A 47 PRO C . 18158 1 468 . 1 1 47 47 PRO CA C 13 61.9 0.2 . 1 . . . A 47 PRO CA . 18158 1 469 . 1 1 47 47 PRO CB C 13 33 0.2 . 1 . . . A 47 PRO CB . 18158 1 470 . 1 1 47 47 PRO CG C 13 27.9 0.2 . 1 . . . A 47 PRO CG . 18158 1 471 . 1 1 47 47 PRO CD C 13 50.3 0.2 . 1 . . . A 47 PRO CD . 18158 1 472 . 1 1 48 48 LYS H H 1 8.76 0.02 . 1 . . . A 48 LYS H . 18158 1 473 . 1 1 48 48 LYS HA H 1 3.68 0.02 . 1 . . . A 48 LYS HA . 18158 1 474 . 1 1 48 48 LYS HB2 H 1 1.91 0.02 . 2 . . . A 48 LYS HB2 . 18158 1 475 . 1 1 48 48 LYS HB3 H 1 1.82 0.02 . 2 . . . A 48 LYS HB3 . 18158 1 476 . 1 1 48 48 LYS HG2 H 1 1.53 0.02 . 2 . . . A 48 LYS HG2 . 18158 1 477 . 1 1 48 48 LYS HG3 H 1 1.34 0.02 . 2 . . . A 48 LYS HG3 . 18158 1 478 . 1 1 48 48 LYS HD2 H 1 1.76 0.02 . 2 . . . A 48 LYS HD2 . 18158 1 479 . 1 1 48 48 LYS HD3 H 1 1.76 0.02 . 2 . . . A 48 LYS HD3 . 18158 1 480 . 1 1 48 48 LYS HE2 H 1 3.04 0.02 . 2 . . . A 48 LYS HE2 . 18158 1 481 . 1 1 48 48 LYS HE3 H 1 2.96 0.02 . 2 . . . A 48 LYS HE3 . 18158 1 482 . 1 1 48 48 LYS C C 13 177.4 0.2 . 1 . . . A 48 LYS C . 18158 1 483 . 1 1 48 48 LYS CA C 13 61 0.2 . 1 . . . A 48 LYS CA . 18158 1 484 . 1 1 48 48 LYS CB C 13 32.9 0.2 . 1 . . . A 48 LYS CB . 18158 1 485 . 1 1 48 48 LYS CG C 13 25.5 0.2 . 1 . . . A 48 LYS CG . 18158 1 486 . 1 1 48 48 LYS CD C 13 29.9 0.2 . 1 . . . A 48 LYS CD . 18158 1 487 . 1 1 48 48 LYS CE C 13 41.9 0.2 . 1 . . . A 48 LYS CE . 18158 1 488 . 1 1 48 48 LYS N N 15 121.8 0.2 . 1 . . . A 48 LYS N . 18158 1 489 . 1 1 49 49 ARG H H 1 8.73 0.02 . 1 . . . A 49 ARG H . 18158 1 490 . 1 1 49 49 ARG HA H 1 4.14 0.02 . 1 . . . A 49 ARG HA . 18158 1 491 . 1 1 49 49 ARG HB2 H 1 1.95 0.02 . 2 . . . A 49 ARG HB2 . 18158 1 492 . 1 1 49 49 ARG HB3 H 1 1.77 0.02 . 2 . . . A 49 ARG HB3 . 18158 1 493 . 1 1 49 49 ARG HG2 H 1 1.71 0.02 . 2 . . . A 49 ARG HG2 . 18158 1 494 . 1 1 49 49 ARG HG3 H 1 1.58 0.02 . 2 . . . A 49 ARG HG3 . 18158 1 495 . 1 1 49 49 ARG HD2 H 1 3.22 0.02 . 2 . . . A 49 ARG HD2 . 18158 1 496 . 1 1 49 49 ARG HD3 H 1 3.22 0.02 . 2 . . . A 49 ARG HD3 . 18158 1 497 . 1 1 49 49 ARG HE H 1 7.55 0.02 . 1 . . . A 49 ARG HE . 18158 1 498 . 1 1 49 49 ARG C C 13 178.7 0.2 . 1 . . . A 49 ARG C . 18158 1 499 . 1 1 49 49 ARG CA C 13 59.7 0.2 . 1 . . . A 49 ARG CA . 18158 1 500 . 1 1 49 49 ARG CB C 13 29.9 0.2 . 1 . . . A 49 ARG CB . 18158 1 501 . 1 1 49 49 ARG CG C 13 27.2 0.2 . 1 . . . A 49 ARG CG . 18158 1 502 . 1 1 49 49 ARG CD C 13 43.4 0.2 . 1 . . . A 49 ARG CD . 18158 1 503 . 1 1 49 49 ARG N N 15 116.4 0.2 . 1 . . . A 49 ARG N . 18158 1 504 . 1 1 49 49 ARG NE N 15 83.6 0.2 . 1 . . . A 49 ARG NE . 18158 1 505 . 1 1 50 50 GLU H H 1 7.08 0.02 . 1 . . . A 50 GLU H . 18158 1 506 . 1 1 50 50 GLU HA H 1 4.06 0.02 . 1 . . . A 50 GLU HA . 18158 1 507 . 1 1 50 50 GLU HB2 H 1 1.97 0.02 . 2 . . . A 50 GLU HB2 . 18158 1 508 . 1 1 50 50 GLU HB3 H 1 1.97 0.02 . 2 . . . A 50 GLU HB3 . 18158 1 509 . 1 1 50 50 GLU HG2 H 1 2.27 0.02 . 2 . . . A 50 GLU HG2 . 18158 1 510 . 1 1 50 50 GLU HG3 H 1 2.15 0.02 . 2 . . . A 50 GLU HG3 . 18158 1 511 . 1 1 50 50 GLU C C 13 178.8 0.2 . 1 . . . A 50 GLU C . 18158 1 512 . 1 1 50 50 GLU CA C 13 59.1 0.2 . 1 . . . A 50 GLU CA . 18158 1 513 . 1 1 50 50 GLU CB C 13 30.3 0.2 . 1 . . . A 50 GLU CB . 18158 1 514 . 1 1 50 50 GLU CG C 13 36.7 0.2 . 1 . . . A 50 GLU CG . 18158 1 515 . 1 1 50 50 GLU N N 15 119.2 0.2 . 1 . . . A 50 GLU N . 18158 1 516 . 1 1 51 51 LEU H H 1 8.09 0.02 . 1 . . . A 51 LEU H . 18158 1 517 . 1 1 51 51 LEU HA H 1 3.74 0.02 . 1 . . . A 51 LEU HA . 18158 1 518 . 1 1 51 51 LEU HB2 H 1 1.6 0.02 . 2 . . . A 51 LEU HB2 . 18158 1 519 . 1 1 51 51 LEU HB3 H 1 1.21 0.02 . 2 . . . A 51 LEU HB3 . 18158 1 520 . 1 1 51 51 LEU HG H 1 1.45 0.02 . 1 . . . A 51 LEU HG . 18158 1 521 . 1 1 51 51 LEU HD11 H 1 0.7 0.02 . 2 . . . A 51 LEU HD1 . 18158 1 522 . 1 1 51 51 LEU HD12 H 1 0.7 0.02 . 2 . . . A 51 LEU HD1 . 18158 1 523 . 1 1 51 51 LEU HD13 H 1 0.7 0.02 . 2 . . . A 51 LEU HD1 . 18158 1 524 . 1 1 51 51 LEU HD21 H 1 0.68 0.02 . 2 . . . A 51 LEU HD2 . 18158 1 525 . 1 1 51 51 LEU HD22 H 1 0.68 0.02 . 2 . . . A 51 LEU HD2 . 18158 1 526 . 1 1 51 51 LEU HD23 H 1 0.68 0.02 . 2 . . . A 51 LEU HD2 . 18158 1 527 . 1 1 51 51 LEU C C 13 178.4 0.2 . 1 . . . A 51 LEU C . 18158 1 528 . 1 1 51 51 LEU CA C 13 58.2 0.2 . 1 . . . A 51 LEU CA . 18158 1 529 . 1 1 51 51 LEU CB C 13 42.3 0.2 . 1 . . . A 51 LEU CB . 18158 1 530 . 1 1 51 51 LEU CG C 13 27.3 0.2 . 1 . . . A 51 LEU CG . 18158 1 531 . 1 1 51 51 LEU CD1 C 13 26.9 0.2 . 2 . . . A 51 LEU CD1 . 18158 1 532 . 1 1 51 51 LEU CD2 C 13 25.5 0.2 . 2 . . . A 51 LEU CD2 . 18158 1 533 . 1 1 51 51 LEU N N 15 118.9 0.2 . 1 . . . A 51 LEU N . 18158 1 534 . 1 1 52 52 ASN H H 1 8.76 0.02 . 1 . . . A 52 ASN H . 18158 1 535 . 1 1 52 52 ASN HA H 1 4.55 0.02 . 1 . . . A 52 ASN HA . 18158 1 536 . 1 1 52 52 ASN HB2 H 1 2.86 0.02 . 2 . . . A 52 ASN HB2 . 18158 1 537 . 1 1 52 52 ASN HB3 H 1 2.78 0.02 . 2 . . . A 52 ASN HB3 . 18158 1 538 . 1 1 52 52 ASN HD21 H 1 7.36 0.02 . 2 . . . A 52 ASN HD21 . 18158 1 539 . 1 1 52 52 ASN HD22 H 1 6.51 0.02 . 2 . . . A 52 ASN HD22 . 18158 1 540 . 1 1 52 52 ASN C C 13 177.6 0.2 . 1 . . . A 52 ASN C . 18158 1 541 . 1 1 52 52 ASN CA C 13 56 0.2 . 1 . . . A 52 ASN CA . 18158 1 542 . 1 1 52 52 ASN CB C 13 38.1 0.2 . 1 . . . A 52 ASN CB . 18158 1 543 . 1 1 52 52 ASN CG C 13 174.2 0.2 . 1 . . . A 52 ASN CG . 18158 1 544 . 1 1 52 52 ASN N N 15 116 0.2 . 1 . . . A 52 ASN N . 18158 1 545 . 1 1 52 52 ASN ND2 N 15 107.8 0.2 . 1 . . . A 52 ASN ND2 . 18158 1 546 . 1 1 53 53 GLN H H 1 7.41 0.02 . 1 . . . A 53 GLN H . 18158 1 547 . 1 1 53 53 GLN HA H 1 4.09 0.02 . 1 . . . A 53 GLN HA . 18158 1 548 . 1 1 53 53 GLN HB2 H 1 2.27 0.02 . 2 . . . A 53 GLN HB2 . 18158 1 549 . 1 1 53 53 GLN HB3 H 1 2.2 0.02 . 2 . . . A 53 GLN HB3 . 18158 1 550 . 1 1 53 53 GLN HG2 H 1 2.58 0.02 . 2 . . . A 53 GLN HG2 . 18158 1 551 . 1 1 53 53 GLN HG3 H 1 2.44 0.02 . 2 . . . A 53 GLN HG3 . 18158 1 552 . 1 1 53 53 GLN HE21 H 1 7.53 0.02 . 2 . . . A 53 GLN HE21 . 18158 1 553 . 1 1 53 53 GLN HE22 H 1 6.86 0.02 . 2 . . . A 53 GLN HE22 . 18158 1 554 . 1 1 53 53 GLN C C 13 179 0.2 . 1 . . . A 53 GLN C . 18158 1 555 . 1 1 53 53 GLN CA C 13 59.4 0.2 . 1 . . . A 53 GLN CA . 18158 1 556 . 1 1 53 53 GLN CB C 13 28.5 0.2 . 1 . . . A 53 GLN CB . 18158 1 557 . 1 1 53 53 GLN CG C 13 34.1 0.2 . 1 . . . A 53 GLN CG . 18158 1 558 . 1 1 53 53 GLN CD C 13 180 0.2 . 1 . . . A 53 GLN CD . 18158 1 559 . 1 1 53 53 GLN N N 15 117.5 0.2 . 1 . . . A 53 GLN N . 18158 1 560 . 1 1 53 53 GLN NE2 N 15 111.7 0.2 . 1 . . . A 53 GLN NE2 . 18158 1 561 . 1 1 54 54 VAL H H 1 7.44 0.02 . 1 . . . A 54 VAL H . 18158 1 562 . 1 1 54 54 VAL HA H 1 3.66 0.02 . 1 . . . A 54 VAL HA . 18158 1 563 . 1 1 54 54 VAL HB H 1 1.94 0.02 . 1 . . . A 54 VAL HB . 18158 1 564 . 1 1 54 54 VAL HG11 H 1 0.84 0.02 . 2 . . . A 54 VAL HG1 . 18158 1 565 . 1 1 54 54 VAL HG12 H 1 0.84 0.02 . 2 . . . A 54 VAL HG1 . 18158 1 566 . 1 1 54 54 VAL HG13 H 1 0.84 0.02 . 2 . . . A 54 VAL HG1 . 18158 1 567 . 1 1 54 54 VAL HG21 H 1 1.07 0.02 . 2 . . . A 54 VAL HG2 . 18158 1 568 . 1 1 54 54 VAL HG22 H 1 1.07 0.02 . 2 . . . A 54 VAL HG2 . 18158 1 569 . 1 1 54 54 VAL HG23 H 1 1.07 0.02 . 2 . . . A 54 VAL HG2 . 18158 1 570 . 1 1 54 54 VAL C C 13 177.7 0.2 . 1 . . . A 54 VAL C . 18158 1 571 . 1 1 54 54 VAL CA C 13 66.5 0.2 . 1 . . . A 54 VAL CA . 18158 1 572 . 1 1 54 54 VAL CB C 13 32 0.2 . 1 . . . A 54 VAL CB . 18158 1 573 . 1 1 54 54 VAL CG1 C 13 22.7 0.2 . 2 . . . A 54 VAL CG1 . 18158 1 574 . 1 1 54 54 VAL CG2 C 13 23.3 0.2 . 2 . . . A 54 VAL CG2 . 18158 1 575 . 1 1 54 54 VAL N N 15 120.1 0.2 . 1 . . . A 54 VAL N . 18158 1 576 . 1 1 55 55 LEU H H 1 8.81 0.02 . 1 . . . A 55 LEU H . 18158 1 577 . 1 1 55 55 LEU HA H 1 3.41 0.02 . 1 . . . A 55 LEU HA . 18158 1 578 . 1 1 55 55 LEU HB2 H 1 1.08 0.02 . 2 . . . A 55 LEU HB2 . 18158 1 579 . 1 1 55 55 LEU HB3 H 1 -0.77 0.02 . 2 . . . A 55 LEU HB3 . 18158 1 580 . 1 1 55 55 LEU HG H 1 1.07 0.02 . 1 . . . A 55 LEU HG . 18158 1 581 . 1 1 55 55 LEU HD11 H 1 -0.34 0.02 . 2 . . . A 55 LEU HD1 . 18158 1 582 . 1 1 55 55 LEU HD12 H 1 -0.34 0.02 . 2 . . . A 55 LEU HD1 . 18158 1 583 . 1 1 55 55 LEU HD13 H 1 -0.34 0.02 . 2 . . . A 55 LEU HD1 . 18158 1 584 . 1 1 55 55 LEU HD21 H 1 -0.06 0.02 . 2 . . . A 55 LEU HD2 . 18158 1 585 . 1 1 55 55 LEU HD22 H 1 -0.06 0.02 . 2 . . . A 55 LEU HD2 . 18158 1 586 . 1 1 55 55 LEU HD23 H 1 -0.06 0.02 . 2 . . . A 55 LEU HD2 . 18158 1 587 . 1 1 55 55 LEU C C 13 178.8 0.2 . 1 . . . A 55 LEU C . 18158 1 588 . 1 1 55 55 LEU CA C 13 58.4 0.2 . 1 . . . A 55 LEU CA . 18158 1 589 . 1 1 55 55 LEU CB C 13 40.4 0.2 . 1 . . . A 55 LEU CB . 18158 1 590 . 1 1 55 55 LEU CG C 13 26.6 0.2 . 1 . . . A 55 LEU CG . 18158 1 591 . 1 1 55 55 LEU CD1 C 13 24.6 0.2 . 2 . . . A 55 LEU CD1 . 18158 1 592 . 1 1 55 55 LEU CD2 C 13 22.6 0.2 . 2 . . . A 55 LEU CD2 . 18158 1 593 . 1 1 55 55 LEU N N 15 122.1 0.2 . 1 . . . A 55 LEU N . 18158 1 594 . 1 1 56 56 TYR H H 1 8.29 0.02 . 1 . . . A 56 TYR H . 18158 1 595 . 1 1 56 56 TYR HA H 1 4.15 0.02 . 1 . . . A 56 TYR HA . 18158 1 596 . 1 1 56 56 TYR HB2 H 1 3.08 0.02 . 2 . . . A 56 TYR HB2 . 18158 1 597 . 1 1 56 56 TYR HB3 H 1 3.08 0.02 . 2 . . . A 56 TYR HB3 . 18158 1 598 . 1 1 56 56 TYR HD1 H 1 7.53 0.02 . 3 . . . A 56 TYR HD1 . 18158 1 599 . 1 1 56 56 TYR HD2 H 1 7.53 0.02 . 3 . . . A 56 TYR HD2 . 18158 1 600 . 1 1 56 56 TYR HE1 H 1 6.98 0.02 . 3 . . . A 56 TYR HE1 . 18158 1 601 . 1 1 56 56 TYR HE2 H 1 6.98 0.02 . 3 . . . A 56 TYR HE2 . 18158 1 602 . 1 1 56 56 TYR C C 13 179.4 0.2 . 1 . . . A 56 TYR C . 18158 1 603 . 1 1 56 56 TYR CA C 13 63.5 0.2 . 1 . . . A 56 TYR CA . 18158 1 604 . 1 1 56 56 TYR CB C 13 37.2 0.2 . 1 . . . A 56 TYR CB . 18158 1 605 . 1 1 56 56 TYR CD1 C 13 133.2 0.2 . 3 . . . A 56 TYR CD1 . 18158 1 606 . 1 1 56 56 TYR CD2 C 13 133.2 0.2 . 3 . . . A 56 TYR CD2 . 18158 1 607 . 1 1 56 56 TYR CE1 C 13 118 0.2 . 3 . . . A 56 TYR CE1 . 18158 1 608 . 1 1 56 56 TYR CE2 C 13 118 0.2 . 3 . . . A 56 TYR CE2 . 18158 1 609 . 1 1 56 56 TYR N N 15 115 0.2 . 1 . . . A 56 TYR N . 18158 1 610 . 1 1 57 57 ARG H H 1 7.4 0.02 . 1 . . . A 57 ARG H . 18158 1 611 . 1 1 57 57 ARG HA H 1 4.2 0.02 . 1 . . . A 57 ARG HA . 18158 1 612 . 1 1 57 57 ARG HB2 H 1 2.09 0.02 . 2 . . . A 57 ARG HB2 . 18158 1 613 . 1 1 57 57 ARG HB3 H 1 1.93 0.02 . 2 . . . A 57 ARG HB3 . 18158 1 614 . 1 1 57 57 ARG HG2 H 1 1.73 0.02 . 2 . . . A 57 ARG HG2 . 18158 1 615 . 1 1 57 57 ARG HG3 H 1 1.59 0.02 . 2 . . . A 57 ARG HG3 . 18158 1 616 . 1 1 57 57 ARG HD2 H 1 3.2 0.02 . 2 . . . A 57 ARG HD2 . 18158 1 617 . 1 1 57 57 ARG HD3 H 1 3.2 0.02 . 2 . . . A 57 ARG HD3 . 18158 1 618 . 1 1 57 57 ARG HE H 1 7.98 0.02 . 1 . . . A 57 ARG HE . 18158 1 619 . 1 1 57 57 ARG C C 13 178.6 0.2 . 1 . . . A 57 ARG C . 18158 1 620 . 1 1 57 57 ARG CA C 13 60.2 0.2 . 1 . . . A 57 ARG CA . 18158 1 621 . 1 1 57 57 ARG CB C 13 28.9 0.2 . 1 . . . A 57 ARG CB . 18158 1 622 . 1 1 57 57 ARG CG C 13 27.1 0.2 . 1 . . . A 57 ARG CG . 18158 1 623 . 1 1 57 57 ARG CD C 13 43 0.2 . 1 . . . A 57 ARG CD . 18158 1 624 . 1 1 57 57 ARG CZ C 13 159.8 0.2 . 1 . . . A 57 ARG CZ . 18158 1 625 . 1 1 57 57 ARG N N 15 123.2 0.2 . 1 . . . A 57 ARG N . 18158 1 626 . 1 1 57 57 ARG NE N 15 85.6 0.2 . 1 . . . A 57 ARG NE . 18158 1 627 . 1 1 58 58 MET H H 1 8.71 0.02 . 1 . . . A 58 MET H . 18158 1 628 . 1 1 58 58 MET HA H 1 4 0.02 . 1 . . . A 58 MET HA . 18158 1 629 . 1 1 58 58 MET HB2 H 1 2.14 0.02 . 2 . . . A 58 MET HB2 . 18158 1 630 . 1 1 58 58 MET HB3 H 1 2.03 0.02 . 2 . . . A 58 MET HB3 . 18158 1 631 . 1 1 58 58 MET HG2 H 1 2.78 0.02 . 2 . . . A 58 MET HG2 . 18158 1 632 . 1 1 58 58 MET HG3 H 1 2.14 0.02 . 2 . . . A 58 MET HG3 . 18158 1 633 . 1 1 58 58 MET HE1 H 1 1.89 0.02 . 1 . . . A 58 MET HE . 18158 1 634 . 1 1 58 58 MET HE2 H 1 1.89 0.02 . 1 . . . A 58 MET HE . 18158 1 635 . 1 1 58 58 MET HE3 H 1 1.89 0.02 . 1 . . . A 58 MET HE . 18158 1 636 . 1 1 58 58 MET C C 13 178.7 0.2 . 1 . . . A 58 MET C . 18158 1 637 . 1 1 58 58 MET CA C 13 59.6 0.2 . 1 . . . A 58 MET CA . 18158 1 638 . 1 1 58 58 MET CB C 13 35.4 0.2 . 1 . . . A 58 MET CB . 18158 1 639 . 1 1 58 58 MET CG C 13 32.5 0.2 . 1 . . . A 58 MET CG . 18158 1 640 . 1 1 58 58 MET CE C 13 17.5 0.2 . 1 . . . A 58 MET CE . 18158 1 641 . 1 1 58 58 MET N N 15 119.1 0.2 . 1 . . . A 58 MET N . 18158 1 642 . 1 1 59 59 LYS H H 1 8.87 0.02 . 1 . . . A 59 LYS H . 18158 1 643 . 1 1 59 59 LYS HA H 1 4.46 0.02 . 1 . . . A 59 LYS HA . 18158 1 644 . 1 1 59 59 LYS HB2 H 1 2.25 0.02 . 2 . . . A 59 LYS HB2 . 18158 1 645 . 1 1 59 59 LYS HB3 H 1 2.09 0.02 . 2 . . . A 59 LYS HB3 . 18158 1 646 . 1 1 59 59 LYS HG2 H 1 1.7 0.02 . 2 . . . A 59 LYS HG2 . 18158 1 647 . 1 1 59 59 LYS HG3 H 1 1.66 0.02 . 2 . . . A 59 LYS HG3 . 18158 1 648 . 1 1 59 59 LYS HD2 H 1 1.86 0.02 . 2 . . . A 59 LYS HD2 . 18158 1 649 . 1 1 59 59 LYS HD3 H 1 1.86 0.02 . 2 . . . A 59 LYS HD3 . 18158 1 650 . 1 1 59 59 LYS HE2 H 1 3.18 0.02 . 2 . . . A 59 LYS HE2 . 18158 1 651 . 1 1 59 59 LYS HE3 H 1 3.18 0.02 . 2 . . . A 59 LYS HE3 . 18158 1 652 . 1 1 59 59 LYS C C 13 180.9 0.2 . 1 . . . A 59 LYS C . 18158 1 653 . 1 1 59 59 LYS CA C 13 59.2 0.2 . 1 . . . A 59 LYS CA . 18158 1 654 . 1 1 59 59 LYS CB C 13 33.4 0.2 . 1 . . . A 59 LYS CB . 18158 1 655 . 1 1 59 59 LYS CG C 13 24.5 0.2 . 1 . . . A 59 LYS CG . 18158 1 656 . 1 1 59 59 LYS CD C 13 30.2 0.2 . 1 . . . A 59 LYS CD . 18158 1 657 . 1 1 59 59 LYS CE C 13 42 0.2 . 1 . . . A 59 LYS CE . 18158 1 658 . 1 1 59 59 LYS N N 15 123.1 0.2 . 1 . . . A 59 LYS N . 18158 1 659 . 1 1 60 60 LYS H H 1 7.69 0.02 . 1 . . . A 60 LYS H . 18158 1 660 . 1 1 60 60 LYS HA H 1 4.23 0.02 . 1 . . . A 60 LYS HA . 18158 1 661 . 1 1 60 60 LYS HB2 H 1 2.21 0.02 . 2 . . . A 60 LYS HB2 . 18158 1 662 . 1 1 60 60 LYS HB3 H 1 2.14 0.02 . 2 . . . A 60 LYS HB3 . 18158 1 663 . 1 1 60 60 LYS HG2 H 1 1.7 0.02 . 2 . . . A 60 LYS HG2 . 18158 1 664 . 1 1 60 60 LYS HG3 H 1 1.58 0.02 . 2 . . . A 60 LYS HG3 . 18158 1 665 . 1 1 60 60 LYS HD2 H 1 1.79 0.02 . 2 . . . A 60 LYS HD2 . 18158 1 666 . 1 1 60 60 LYS HD3 H 1 1.79 0.02 . 2 . . . A 60 LYS HD3 . 18158 1 667 . 1 1 60 60 LYS HE2 H 1 3.06 0.02 . 2 . . . A 60 LYS HE2 . 18158 1 668 . 1 1 60 60 LYS HE3 H 1 3.06 0.02 . 2 . . . A 60 LYS HE3 . 18158 1 669 . 1 1 60 60 LYS C C 13 178.2 0.2 . 1 . . . A 60 LYS C . 18158 1 670 . 1 1 60 60 LYS CA C 13 59.4 0.2 . 1 . . . A 60 LYS CA . 18158 1 671 . 1 1 60 60 LYS CB C 13 32 0.2 . 1 . . . A 60 LYS CB . 18158 1 672 . 1 1 60 60 LYS CG C 13 25.1 0.2 . 1 . . . A 60 LYS CG . 18158 1 673 . 1 1 60 60 LYS CD C 13 29.5 0.2 . 1 . . . A 60 LYS CD . 18158 1 674 . 1 1 60 60 LYS CE C 13 42.2 0.2 . 1 . . . A 60 LYS CE . 18158 1 675 . 1 1 60 60 LYS N N 15 123.7 0.2 . 1 . . . A 60 LYS N . 18158 1 676 . 1 1 61 61 GLU H H 1 7.56 0.02 . 1 . . . A 61 GLU H . 18158 1 677 . 1 1 61 61 GLU HA H 1 4.22 0.02 . 1 . . . A 61 GLU HA . 18158 1 678 . 1 1 61 61 GLU HB2 H 1 2.29 0.02 . 2 . . . A 61 GLU HB2 . 18158 1 679 . 1 1 61 61 GLU HB3 H 1 2.07 0.02 . 2 . . . A 61 GLU HB3 . 18158 1 680 . 1 1 61 61 GLU HG2 H 1 2.55 0.02 . 2 . . . A 61 GLU HG2 . 18158 1 681 . 1 1 61 61 GLU HG3 H 1 2.23 0.02 . 2 . . . A 61 GLU HG3 . 18158 1 682 . 1 1 61 61 GLU C C 13 175.1 0.2 . 1 . . . A 61 GLU C . 18158 1 683 . 1 1 61 61 GLU CA C 13 56.2 0.2 . 1 . . . A 61 GLU CA . 18158 1 684 . 1 1 61 61 GLU CB C 13 30 0.2 . 1 . . . A 61 GLU CB . 18158 1 685 . 1 1 61 61 GLU CG C 13 36.5 0.2 . 1 . . . A 61 GLU CG . 18158 1 686 . 1 1 61 61 GLU N N 15 116.1 0.2 . 1 . . . A 61 GLU N . 18158 1 687 . 1 1 62 62 LEU H H 1 7.98 0.02 . 1 . . . A 62 LEU H . 18158 1 688 . 1 1 62 62 LEU HA H 1 4.21 0.02 . 1 . . . A 62 LEU HA . 18158 1 689 . 1 1 62 62 LEU HB2 H 1 2.21 0.02 . 2 . . . A 62 LEU HB2 . 18158 1 690 . 1 1 62 62 LEU HB3 H 1 1.67 0.02 . 2 . . . A 62 LEU HB3 . 18158 1 691 . 1 1 62 62 LEU HG H 1 1.51 0.02 . 1 . . . A 62 LEU HG . 18158 1 692 . 1 1 62 62 LEU HD11 H 1 0.95 0.02 . 2 . . . A 62 LEU HD1 . 18158 1 693 . 1 1 62 62 LEU HD12 H 1 0.95 0.02 . 2 . . . A 62 LEU HD1 . 18158 1 694 . 1 1 62 62 LEU HD13 H 1 0.95 0.02 . 2 . . . A 62 LEU HD1 . 18158 1 695 . 1 1 62 62 LEU HD21 H 1 0.94 0.02 . 2 . . . A 62 LEU HD2 . 18158 1 696 . 1 1 62 62 LEU HD22 H 1 0.94 0.02 . 2 . . . A 62 LEU HD2 . 18158 1 697 . 1 1 62 62 LEU HD23 H 1 0.94 0.02 . 2 . . . A 62 LEU HD2 . 18158 1 698 . 1 1 62 62 LEU C C 13 176.5 0.2 . 1 . . . A 62 LEU C . 18158 1 699 . 1 1 62 62 LEU CA C 13 56.3 0.2 . 1 . . . A 62 LEU CA . 18158 1 700 . 1 1 62 62 LEU CB C 13 37.9 0.2 . 1 . . . A 62 LEU CB . 18158 1 701 . 1 1 62 62 LEU CG C 13 27.3 0.2 . 1 . . . A 62 LEU CG . 18158 1 702 . 1 1 62 62 LEU CD1 C 13 25.6 0.2 . 2 . . . A 62 LEU CD1 . 18158 1 703 . 1 1 62 62 LEU CD2 C 13 23.1 0.2 . 2 . . . A 62 LEU CD2 . 18158 1 704 . 1 1 62 62 LEU N N 15 114 0.2 . 1 . . . A 62 LEU N . 18158 1 705 . 1 1 63 63 LYS H H 1 8.37 0.02 . 1 . . . A 63 LYS H . 18158 1 706 . 1 1 63 63 LYS HA H 1 4.26 0.02 . 1 . . . A 63 LYS HA . 18158 1 707 . 1 1 63 63 LYS HB2 H 1 1.85 0.02 . 2 . . . A 63 LYS HB2 . 18158 1 708 . 1 1 63 63 LYS HB3 H 1 1.62 0.02 . 2 . . . A 63 LYS HB3 . 18158 1 709 . 1 1 63 63 LYS HG2 H 1 1.45 0.02 . 2 . . . A 63 LYS HG2 . 18158 1 710 . 1 1 63 63 LYS HG3 H 1 1.45 0.02 . 2 . . . A 63 LYS HG3 . 18158 1 711 . 1 1 63 63 LYS HD2 H 1 1.68 0.02 . 2 . . . A 63 LYS HD2 . 18158 1 712 . 1 1 63 63 LYS HD3 H 1 1.59 0.02 . 2 . . . A 63 LYS HD3 . 18158 1 713 . 1 1 63 63 LYS HE2 H 1 3.01 0.02 . 2 . . . A 63 LYS HE2 . 18158 1 714 . 1 1 63 63 LYS HE3 H 1 2.84 0.02 . 2 . . . A 63 LYS HE3 . 18158 1 715 . 1 1 63 63 LYS C C 13 178 0.2 . 1 . . . A 63 LYS C . 18158 1 716 . 1 1 63 63 LYS CA C 13 58 0.2 . 1 . . . A 63 LYS CA . 18158 1 717 . 1 1 63 63 LYS CB C 13 36.2 0.2 . 1 . . . A 63 LYS CB . 18158 1 718 . 1 1 63 63 LYS CG C 13 26.3 0.2 . 1 . . . A 63 LYS CG . 18158 1 719 . 1 1 63 63 LYS CD C 13 30.8 0.2 . 1 . . . A 63 LYS CD . 18158 1 720 . 1 1 63 63 LYS CE C 13 42.3 0.2 . 1 . . . A 63 LYS CE . 18158 1 721 . 1 1 63 63 LYS N N 15 115.3 0.2 . 1 . . . A 63 LYS N . 18158 1 722 . 1 1 64 64 VAL H H 1 7.05 0.02 . 1 . . . A 64 VAL H . 18158 1 723 . 1 1 64 64 VAL HA H 1 5.17 0.02 . 1 . . . A 64 VAL HA . 18158 1 724 . 1 1 64 64 VAL HB H 1 2.41 0.02 . 1 . . . A 64 VAL HB . 18158 1 725 . 1 1 64 64 VAL HG11 H 1 0.73 0.02 . 2 . . . A 64 VAL HG1 . 18158 1 726 . 1 1 64 64 VAL HG12 H 1 0.73 0.02 . 2 . . . A 64 VAL HG1 . 18158 1 727 . 1 1 64 64 VAL HG13 H 1 0.73 0.02 . 2 . . . A 64 VAL HG1 . 18158 1 728 . 1 1 64 64 VAL HG21 H 1 0.69 0.02 . 2 . . . A 64 VAL HG2 . 18158 1 729 . 1 1 64 64 VAL HG22 H 1 0.69 0.02 . 2 . . . A 64 VAL HG2 . 18158 1 730 . 1 1 64 64 VAL HG23 H 1 0.69 0.02 . 2 . . . A 64 VAL HG2 . 18158 1 731 . 1 1 64 64 VAL C C 13 174.3 0.2 . 1 . . . A 64 VAL C . 18158 1 732 . 1 1 64 64 VAL CA C 13 58.4 0.2 . 1 . . . A 64 VAL CA . 18158 1 733 . 1 1 64 64 VAL CB C 13 36.5 0.2 . 1 . . . A 64 VAL CB . 18158 1 734 . 1 1 64 64 VAL CG1 C 13 23.3 0.2 . 2 . . . A 64 VAL CG1 . 18158 1 735 . 1 1 64 64 VAL CG2 C 13 19.8 0.2 . 2 . . . A 64 VAL CG2 . 18158 1 736 . 1 1 64 64 VAL N N 15 107.1 0.2 . 1 . . . A 64 VAL N . 18158 1 737 . 1 1 65 65 SER H H 1 9.12 0.02 . 1 . . . A 65 SER H . 18158 1 738 . 1 1 65 65 SER HA H 1 4.74 0.02 . 1 . . . A 65 SER HA . 18158 1 739 . 1 1 65 65 SER HB2 H 1 3.68 0.02 . 2 . . . A 65 SER HB2 . 18158 1 740 . 1 1 65 65 SER HB3 H 1 3.57 0.02 . 2 . . . A 65 SER HB3 . 18158 1 741 . 1 1 65 65 SER C C 13 171.4 0.2 . 1 . . . A 65 SER C . 18158 1 742 . 1 1 65 65 SER CA C 13 57.5 0.2 . 1 . . . A 65 SER CA . 18158 1 743 . 1 1 65 65 SER CB C 13 66.3 0.2 . 1 . . . A 65 SER CB . 18158 1 744 . 1 1 65 65 SER N N 15 114.6 0.2 . 1 . . . A 65 SER N . 18158 1 745 . 1 1 66 66 LEU H H 1 8.16 0.02 . 1 . . . A 66 LEU H . 18158 1 746 . 1 1 66 66 LEU HA H 1 4.27 0.02 . 1 . . . A 66 LEU HA . 18158 1 747 . 1 1 66 66 LEU HB2 H 1 1.24 0.02 . 2 . . . A 66 LEU HB2 . 18158 1 748 . 1 1 66 66 LEU HB3 H 1 0.38 0.02 . 2 . . . A 66 LEU HB3 . 18158 1 749 . 1 1 66 66 LEU HG H 1 0.54 0.02 . 1 . . . A 66 LEU HG . 18158 1 750 . 1 1 66 66 LEU HD11 H 1 -0.03 0.02 . 2 . . . A 66 LEU HD1 . 18158 1 751 . 1 1 66 66 LEU HD12 H 1 -0.03 0.02 . 2 . . . A 66 LEU HD1 . 18158 1 752 . 1 1 66 66 LEU HD13 H 1 -0.03 0.02 . 2 . . . A 66 LEU HD1 . 18158 1 753 . 1 1 66 66 LEU HD21 H 1 0.33 0.02 . 2 . . . A 66 LEU HD2 . 18158 1 754 . 1 1 66 66 LEU HD22 H 1 0.33 0.02 . 2 . . . A 66 LEU HD2 . 18158 1 755 . 1 1 66 66 LEU HD23 H 1 0.33 0.02 . 2 . . . A 66 LEU HD2 . 18158 1 756 . 1 1 66 66 LEU C C 13 177.6 0.2 . 1 . . . A 66 LEU C . 18158 1 757 . 1 1 66 66 LEU CA C 13 53.4 0.2 . 1 . . . A 66 LEU CA . 18158 1 758 . 1 1 66 66 LEU CB C 13 43.2 0.2 . 1 . . . A 66 LEU CB . 18158 1 759 . 1 1 66 66 LEU CG C 13 26.4 0.2 . 1 . . . A 66 LEU CG . 18158 1 760 . 1 1 66 66 LEU CD1 C 13 23.6 0.2 . 2 . . . A 66 LEU CD1 . 18158 1 761 . 1 1 66 66 LEU CD2 C 13 25.6 0.2 . 2 . . . A 66 LEU CD2 . 18158 1 762 . 1 1 66 66 LEU N N 15 125.8 0.2 . 1 . . . A 66 LEU N . 18158 1 763 . 1 1 67 67 THR H H 1 8.22 0.02 . 1 . . . A 67 THR H . 18158 1 764 . 1 1 67 67 THR HA H 1 4.08 0.02 . 1 . . . A 67 THR HA . 18158 1 765 . 1 1 67 67 THR HB H 1 4.03 0.02 . 1 . . . A 67 THR HB . 18158 1 766 . 1 1 67 67 THR HG21 H 1 0.98 0.02 . 1 . . . A 67 THR HG2 . 18158 1 767 . 1 1 67 67 THR HG22 H 1 0.98 0.02 . 1 . . . A 67 THR HG2 . 18158 1 768 . 1 1 67 67 THR HG23 H 1 0.98 0.02 . 1 . . . A 67 THR HG2 . 18158 1 769 . 1 1 67 67 THR C C 13 174.7 0.2 . 1 . . . A 67 THR C . 18158 1 770 . 1 1 67 67 THR CA C 13 63.4 0.2 . 1 . . . A 67 THR CA . 18158 1 771 . 1 1 67 67 THR CB C 13 68.2 0.2 . 1 . . . A 67 THR CB . 18158 1 772 . 1 1 67 67 THR CG2 C 13 23.2 0.2 . 1 . . . A 67 THR CG2 . 18158 1 773 . 1 1 67 67 THR N N 15 119.2 0.2 . 1 . . . A 67 THR N . 18158 1 774 . 1 1 68 68 SER H H 1 8.06 0.02 . 1 . . . A 68 SER H . 18158 1 775 . 1 1 68 68 SER HA H 1 4.48 0.02 . 1 . . . A 68 SER HA . 18158 1 776 . 1 1 68 68 SER HB2 H 1 3.94 0.02 . 2 . . . A 68 SER HB2 . 18158 1 777 . 1 1 68 68 SER HB3 H 1 3.84 0.02 . 2 . . . A 68 SER HB3 . 18158 1 778 . 1 1 68 68 SER CA C 13 57.6 0.2 . 1 . . . A 68 SER CA . 18158 1 779 . 1 1 68 68 SER CB C 13 62 0.2 . 1 . . . A 68 SER CB . 18158 1 780 . 1 1 68 68 SER N N 15 118.1 0.2 . 1 . . . A 68 SER N . 18158 1 781 . 1 1 69 69 PRO HA H 1 4.09 0.02 . 1 . . . A 69 PRO HA . 18158 1 782 . 1 1 69 69 PRO HB2 H 1 2.24 0.02 . 2 . . . A 69 PRO HB2 . 18158 1 783 . 1 1 69 69 PRO HB3 H 1 1.81 0.02 . 2 . . . A 69 PRO HB3 . 18158 1 784 . 1 1 69 69 PRO HG2 H 1 2.15 0.02 . 2 . . . A 69 PRO HG2 . 18158 1 785 . 1 1 69 69 PRO HG3 H 1 1.92 0.02 . 2 . . . A 69 PRO HG3 . 18158 1 786 . 1 1 69 69 PRO HD2 H 1 3.72 0.02 . 2 . . . A 69 PRO HD2 . 18158 1 787 . 1 1 69 69 PRO HD3 H 1 3.56 0.02 . 2 . . . A 69 PRO HD3 . 18158 1 788 . 1 1 69 69 PRO C C 13 177.7 0.2 . 1 . . . A 69 PRO C . 18158 1 789 . 1 1 69 69 PRO CA C 13 66.1 0.2 . 1 . . . A 69 PRO CA . 18158 1 790 . 1 1 69 69 PRO CB C 13 30.9 0.2 . 1 . . . A 69 PRO CB . 18158 1 791 . 1 1 69 69 PRO CG C 13 28.3 0.2 . 1 . . . A 69 PRO CG . 18158 1 792 . 1 1 69 69 PRO CD C 13 49.9 0.2 . 1 . . . A 69 PRO CD . 18158 1 793 . 1 1 70 70 ALA H H 1 8.92 0.02 . 1 . . . A 70 ALA H . 18158 1 794 . 1 1 70 70 ALA HA H 1 4.08 0.02 . 1 . . . A 70 ALA HA . 18158 1 795 . 1 1 70 70 ALA HB1 H 1 1.63 0.02 . 1 . . . A 70 ALA HB . 18158 1 796 . 1 1 70 70 ALA HB2 H 1 1.63 0.02 . 1 . . . A 70 ALA HB . 18158 1 797 . 1 1 70 70 ALA HB3 H 1 1.63 0.02 . 1 . . . A 70 ALA HB . 18158 1 798 . 1 1 70 70 ALA C C 13 174.5 0.2 . 1 . . . A 70 ALA C . 18158 1 799 . 1 1 70 70 ALA CA C 13 53.1 0.2 . 1 . . . A 70 ALA CA . 18158 1 800 . 1 1 70 70 ALA CB C 13 18.8 0.2 . 1 . . . A 70 ALA CB . 18158 1 801 . 1 1 70 70 ALA N N 15 126.1 0.2 . 1 . . . A 70 ALA N . 18158 1 802 . 1 1 71 71 THR H H 1 7.74 0.02 . 1 . . . A 71 THR H . 18158 1 803 . 1 1 71 71 THR HA H 1 4.77 0.02 . 1 . . . A 71 THR HA . 18158 1 804 . 1 1 71 71 THR HB H 1 3.73 0.02 . 1 . . . A 71 THR HB . 18158 1 805 . 1 1 71 71 THR HG21 H 1 0.88 0.02 . 1 . . . A 71 THR HG2 . 18158 1 806 . 1 1 71 71 THR HG22 H 1 0.88 0.02 . 1 . . . A 71 THR HG2 . 18158 1 807 . 1 1 71 71 THR HG23 H 1 0.88 0.02 . 1 . . . A 71 THR HG2 . 18158 1 808 . 1 1 71 71 THR C C 13 171.6 0.2 . 1 . . . A 71 THR C . 18158 1 809 . 1 1 71 71 THR CA C 13 63.4 0.2 . 1 . . . A 71 THR CA . 18158 1 810 . 1 1 71 71 THR CB C 13 70 0.2 . 1 . . . A 71 THR CB . 18158 1 811 . 1 1 71 71 THR CG2 C 13 21.2 0.2 . 1 . . . A 71 THR CG2 . 18158 1 812 . 1 1 71 71 THR N N 15 115.8 0.2 . 1 . . . A 71 THR N . 18158 1 813 . 1 1 72 72 TRP H H 1 8.75 0.02 . 1 . . . A 72 TRP H . 18158 1 814 . 1 1 72 72 TRP HA H 1 5.4 0.02 . 1 . . . A 72 TRP HA . 18158 1 815 . 1 1 72 72 TRP HB2 H 1 3.03 0.02 . 2 . . . A 72 TRP HB2 . 18158 1 816 . 1 1 72 72 TRP HB3 H 1 2.74 0.02 . 2 . . . A 72 TRP HB3 . 18158 1 817 . 1 1 72 72 TRP HD1 H 1 6.69 0.02 . 1 . . . A 72 TRP HD1 . 18158 1 818 . 1 1 72 72 TRP HE1 H 1 10.2 0.02 . 1 . . . A 72 TRP HE1 . 18158 1 819 . 1 1 72 72 TRP HE3 H 1 7.11 0.02 . 1 . . . A 72 TRP HE3 . 18158 1 820 . 1 1 72 72 TRP HZ2 H 1 7.16 0.02 . 1 . . . A 72 TRP HZ2 . 18158 1 821 . 1 1 72 72 TRP HZ3 H 1 6.37 0.02 . 1 . . . A 72 TRP HZ3 . 18158 1 822 . 1 1 72 72 TRP HH2 H 1 5.76 0.02 . 1 . . . A 72 TRP HH2 . 18158 1 823 . 1 1 72 72 TRP C C 13 175 0.2 . 1 . . . A 72 TRP C . 18158 1 824 . 1 1 72 72 TRP CA C 13 56.2 0.2 . 1 . . . A 72 TRP CA . 18158 1 825 . 1 1 72 72 TRP CB C 13 33.5 0.2 . 1 . . . A 72 TRP CB . 18158 1 826 . 1 1 72 72 TRP CD1 C 13 124.7 0.2 . 1 . . . A 72 TRP CD1 . 18158 1 827 . 1 1 72 72 TRP CZ2 C 13 116.1 0.2 . 1 . . . A 72 TRP CZ2 . 18158 1 828 . 1 1 72 72 TRP CZ3 C 13 121.3 0.2 . 1 . . . A 72 TRP CZ3 . 18158 1 829 . 1 1 72 72 TRP CH2 C 13 123.1 0.2 . 1 . . . A 72 TRP CH2 . 18158 1 830 . 1 1 72 72 TRP N N 15 126.4 0.2 . 1 . . . A 72 TRP N . 18158 1 831 . 1 1 72 72 TRP NE1 N 15 128.5 0.2 . 1 . . . A 72 TRP NE1 . 18158 1 832 . 1 1 73 73 CYS H H 1 9.44 0.02 . 1 . . . A 73 CYS H . 18158 1 833 . 1 1 73 73 CYS HA H 1 5.04 0.02 . 1 . . . A 73 CYS HA . 18158 1 834 . 1 1 73 73 CYS HB2 H 1 2.82 0.02 . 2 . . . A 73 CYS HB2 . 18158 1 835 . 1 1 73 73 CYS HB3 H 1 2.56 0.02 . 2 . . . A 73 CYS HB3 . 18158 1 836 . 1 1 73 73 CYS C C 13 173 0.2 . 1 . . . A 73 CYS C . 18158 1 837 . 1 1 73 73 CYS CA C 13 56.3 0.2 . 1 . . . A 73 CYS CA . 18158 1 838 . 1 1 73 73 CYS CB C 13 32.1 0.2 . 1 . . . A 73 CYS CB . 18158 1 839 . 1 1 73 73 CYS N N 15 117.7 0.2 . 1 . . . A 73 CYS N . 18158 1 840 . 1 1 74 74 LEU H H 1 8.38 0.02 . 1 . . . A 74 LEU H . 18158 1 841 . 1 1 74 74 LEU HA H 1 4.22 0.02 . 1 . . . A 74 LEU HA . 18158 1 842 . 1 1 74 74 LEU HB2 H 1 1.72 0.02 . 2 . . . A 74 LEU HB2 . 18158 1 843 . 1 1 74 74 LEU HB3 H 1 1.47 0.02 . 2 . . . A 74 LEU HB3 . 18158 1 844 . 1 1 74 74 LEU HG H 1 1.67 0.02 . 1 . . . A 74 LEU HG . 18158 1 845 . 1 1 74 74 LEU HD11 H 1 0.96 0.02 . 2 . . . A 74 LEU HD1 . 18158 1 846 . 1 1 74 74 LEU HD12 H 1 0.96 0.02 . 2 . . . A 74 LEU HD1 . 18158 1 847 . 1 1 74 74 LEU HD13 H 1 0.96 0.02 . 2 . . . A 74 LEU HD1 . 18158 1 848 . 1 1 74 74 LEU HD21 H 1 0.95 0.02 . 2 . . . A 74 LEU HD2 . 18158 1 849 . 1 1 74 74 LEU HD22 H 1 0.95 0.02 . 2 . . . A 74 LEU HD2 . 18158 1 850 . 1 1 74 74 LEU HD23 H 1 0.95 0.02 . 2 . . . A 74 LEU HD2 . 18158 1 851 . 1 1 74 74 LEU C C 13 177.2 0.2 . 1 . . . A 74 LEU C . 18158 1 852 . 1 1 74 74 LEU CA C 13 56.6 0.2 . 1 . . . A 74 LEU CA . 18158 1 853 . 1 1 74 74 LEU CB C 13 43.2 0.2 . 1 . . . A 74 LEU CB . 18158 1 854 . 1 1 74 74 LEU CG C 13 27 0.2 . 1 . . . A 74 LEU CG . 18158 1 855 . 1 1 74 74 LEU CD1 C 13 24.9 0.2 . 2 . . . A 74 LEU CD1 . 18158 1 856 . 1 1 74 74 LEU CD2 C 13 25.1 0.2 . 2 . . . A 74 LEU CD2 . 18158 1 857 . 1 1 74 74 LEU N N 15 124.1 0.2 . 1 . . . A 74 LEU N . 18158 1 858 . 1 1 75 75 GLY H H 1 7.93 0.02 . 1 . . . A 75 GLY H . 18158 1 859 . 1 1 75 75 GLY HA2 H 1 3.94 0.02 . 2 . . . A 75 GLY HA2 . 18158 1 860 . 1 1 75 75 GLY HA3 H 1 3.72 0.02 . 2 . . . A 75 GLY HA3 . 18158 1 861 . 1 1 75 75 GLY C C 13 173.1 0.2 . 1 . . . A 75 GLY C . 18158 1 862 . 1 1 75 75 GLY CA C 13 44.6 0.2 . 1 . . . A 75 GLY CA . 18158 1 863 . 1 1 75 75 GLY N N 15 112.3 0.2 . 1 . . . A 75 GLY N . 18158 1 864 . 1 1 76 76 GLY H H 1 8.13 0.02 . 1 . . . A 76 GLY H . 18158 1 865 . 1 1 76 76 GLY HA2 H 1 3.97 0.02 . 2 . . . A 76 GLY HA2 . 18158 1 866 . 1 1 76 76 GLY HA3 H 1 3.77 0.02 . 2 . . . A 76 GLY HA3 . 18158 1 867 . 1 1 76 76 GLY C C 13 173.9 0.2 . 1 . . . A 76 GLY C . 18158 1 868 . 1 1 76 76 GLY CA C 13 45.2 0.2 . 1 . . . A 76 GLY CA . 18158 1 869 . 1 1 76 76 GLY N N 15 108.3 0.2 . 1 . . . A 76 GLY N . 18158 1 870 . 1 1 77 77 THR H H 1 8.02 0.02 . 1 . . . A 77 THR H . 18158 1 871 . 1 1 77 77 THR HA H 1 4.37 0.02 . 1 . . . A 77 THR HA . 18158 1 872 . 1 1 77 77 THR HB H 1 4.14 0.02 . 1 . . . A 77 THR HB . 18158 1 873 . 1 1 77 77 THR HG21 H 1 1.15 0.02 . 1 . . . A 77 THR HG2 . 18158 1 874 . 1 1 77 77 THR HG22 H 1 1.15 0.02 . 1 . . . A 77 THR HG2 . 18158 1 875 . 1 1 77 77 THR HG23 H 1 1.15 0.02 . 1 . . . A 77 THR HG2 . 18158 1 876 . 1 1 77 77 THR C C 13 173.8 0.2 . 1 . . . A 77 THR C . 18158 1 877 . 1 1 77 77 THR CA C 13 61.5 0.2 . 1 . . . A 77 THR CA . 18158 1 878 . 1 1 77 77 THR CB C 13 70.4 0.2 . 1 . . . A 77 THR CB . 18158 1 879 . 1 1 77 77 THR CG2 C 13 21.3 0.2 . 1 . . . A 77 THR CG2 . 18158 1 880 . 1 1 77 77 THR N N 15 113.4 0.2 . 1 . . . A 77 THR N . 18158 1 881 . 1 1 78 78 ASP H H 1 8.44 0.02 . 1 . . . A 78 ASP H . 18158 1 882 . 1 1 78 78 ASP HA H 1 4.87 0.02 . 1 . . . A 78 ASP HA . 18158 1 883 . 1 1 78 78 ASP HB2 H 1 2.73 0.02 . 2 . . . A 78 ASP HB2 . 18158 1 884 . 1 1 78 78 ASP HB3 H 1 2.5 0.02 . 2 . . . A 78 ASP HB3 . 18158 1 885 . 1 1 78 78 ASP CA C 13 52.8 0.2 . 1 . . . A 78 ASP CA . 18158 1 886 . 1 1 78 78 ASP CB C 13 40.9 0.2 . 1 . . . A 78 ASP CB . 18158 1 887 . 1 1 78 78 ASP N N 15 124.6 0.2 . 1 . . . A 78 ASP N . 18158 1 888 . 1 1 79 79 PRO HA H 1 4.44 0.02 . 1 . . . A 79 PRO HA . 18158 1 889 . 1 1 79 79 PRO HB2 H 1 2.27 0.02 . 2 . . . A 79 PRO HB2 . 18158 1 890 . 1 1 79 79 PRO HB3 H 1 2.01 0.02 . 2 . . . A 79 PRO HB3 . 18158 1 891 . 1 1 79 79 PRO HG2 H 1 2.03 0.02 . 2 . . . A 79 PRO HG2 . 18158 1 892 . 1 1 79 79 PRO HG3 H 1 2.03 0.02 . 2 . . . A 79 PRO HG3 . 18158 1 893 . 1 1 79 79 PRO HD2 H 1 3.76 0.02 . 2 . . . A 79 PRO HD2 . 18158 1 894 . 1 1 79 79 PRO HD3 H 1 3.76 0.02 . 2 . . . A 79 PRO HD3 . 18158 1 895 . 1 1 79 79 PRO C C 13 176.1 0.2 . 1 . . . A 79 PRO C . 18158 1 896 . 1 1 79 79 PRO CA C 13 63.4 0.2 . 1 . . . A 79 PRO CA . 18158 1 897 . 1 1 79 79 PRO CB C 13 32.2 0.2 . 1 . . . A 79 PRO CB . 18158 1 898 . 1 1 79 79 PRO CG C 13 27.3 0.2 . 1 . . . A 79 PRO CG . 18158 1 899 . 1 1 79 79 PRO CD C 13 50.7 0.2 . 1 . . . A 79 PRO CD . 18158 1 900 . 1 1 80 80 GLU H H 1 8.02 0.02 . 1 . . . A 80 GLU H . 18158 1 901 . 1 1 80 80 GLU HA H 1 4.08 0.02 . 1 . . . A 80 GLU HA . 18158 1 902 . 1 1 80 80 GLU HB2 H 1 2.03 0.02 . 2 . . . A 80 GLU HB2 . 18158 1 903 . 1 1 80 80 GLU HB3 H 1 1.89 0.02 . 2 . . . A 80 GLU HB3 . 18158 1 904 . 1 1 80 80 GLU HG2 H 1 2.23 0.02 . 2 . . . A 80 GLU HG2 . 18158 1 905 . 1 1 80 80 GLU HG3 H 1 2.23 0.02 . 2 . . . A 80 GLU HG3 . 18158 1 906 . 1 1 80 80 GLU CA C 13 58.3 0.2 . 1 . . . A 80 GLU CA . 18158 1 907 . 1 1 80 80 GLU CB C 13 31.2 0.2 . 1 . . . A 80 GLU CB . 18158 1 908 . 1 1 80 80 GLU CG C 13 36.8 0.2 . 1 . . . A 80 GLU CG . 18158 1 909 . 1 1 80 80 GLU N N 15 126 0.2 . 1 . . . A 80 GLU N . 18158 1 stop_ save_