data_15989 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15989 _Entry.Title ; Solution NMR structure of the R2R3 DNA binding domain of Myb1 protein from protozoan parasite Trichomonas vaginalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-16 _Entry.Accession_date 2008-10-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuan-Chao Lou . . . 15989 2 Shu-Yi Wei . . . 15989 3 M. Rajasekaran . . . 15989 4 Chun-Chi Chou . . . 15989 5 Hong-Ming Hsu . . . 15989 6 Jung-Hsiang Tai . . . 15989 7 Chinpan Chen . . . 15989 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 . 'not applicable' 'not applicable' . 15989 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CPC group, Academia Sinica, Taiwan' . 15989 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Myb1 . 15989 'R2R3 Domain' . 15989 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15989 heteronucl_NOEs 1 15989 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 15989 '15N chemical shifts' 121 15989 '1H chemical shifts' 789 15989 'heteronuclear NOE values' 92 15989 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 4 . . 2010-05-27 2008-10-16 update BMRB 'edit entity/assembly name' 15989 3 . . 2010-04-15 2008-10-16 update BMRB 'add related PDB ID' 15989 2 . . 2009-05-05 2008-10-16 update BMRB 'complete entry citation' 15989 1 . . 2009-04-04 2008-10-16 original author 'original release' 15989 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K9N 'BMRB Entry Tracking System' 15989 PDB 2KDZ 'structure entry' 15989 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15989 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19246540 _Citation.Full_citation . _Citation.Title 'NMR structural analysis of DNA recognition by a novel Myb1 DNA-binding domain in the protozoan parasite Trichomonas vaginalis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 7 _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 2381 _Citation.Page_last 2394 _Citation.Year 2009 _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 Yuan-Chao Lou . . . 15989 1 2 Shu-Yi Wei . . . 15989 1 3 M. Rajasekaran . . . 15989 1 4 Chun-Chi Chou . . . 15989 1 5 Hong-Ming Hsu . . . 15989 1 6 Jung-Hsiang Tai . . . 15989 1 7 Chinpan Chen . . . 15989 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HADDOCK 15989 1 Myb 15989 1 NMR 15989 1 'R2R3 DNA binding domain' 15989 1 'Trichomonas vaginalis' 15989 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15989 _Assembly.ID 1 _Assembly.Name Myb1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'R2R3 DNA binding domain' 1 $entity A . yes native no no . . . 15989 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15989 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'R2R3 DNA binding domain' _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 ; KVKFTEEEDLKLQQLVMRYG AKDWIRISQLMITRNPRQCR ERWNNYINPALRTDPWSPEE DMLLDQKYAEYGPKWNKISK FLKNRSDNNIRNRWMMIARH RAKHQKS ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Myb1 R2R3 Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13218.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K9N . "Solution Nmr Structure Of The R2r3 Dna Binding Domain Of Myb1 Protein From Protozoan Parasite Trichomonas Vaginalis" . . . . . 100.00 107 100.00 100.00 4.59e-72 . . . . 15989 1 2 no PDB 2KDZ . "Structure Of The R2r3 Dna Binding Domain Of Myb1 Protein From Protozoan Parasite Trichomonas Vaginalis In Complex With Mre-1MRE" . . . . . 100.00 107 100.00 100.00 4.59e-72 . . . . 15989 1 3 no GB AAX51243 . "MYB24 [Trichomonas vaginalis]" . . . . . 100.00 206 100.00 100.00 4.24e-72 . . . . 15989 1 4 no GB EAY03723 . "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" . . . . . 100.00 206 100.00 100.00 4.24e-72 . . . . 15989 1 5 no REF XP_001315946 . "Myb-like DNA-binding domain containing protein [Trichomonas vaginalis G3]" . . . . . 100.00 206 100.00 100.00 4.24e-72 . . . . 15989 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 . LYS . 15989 1 2 . VAL . 15989 1 3 . LYS . 15989 1 4 . PHE . 15989 1 5 . THR . 15989 1 6 . GLU . 15989 1 7 . GLU . 15989 1 8 . GLU . 15989 1 9 . ASP . 15989 1 10 . LEU . 15989 1 11 . LYS . 15989 1 12 . LEU . 15989 1 13 . GLN . 15989 1 14 . GLN . 15989 1 15 . LEU . 15989 1 16 . VAL . 15989 1 17 . MET . 15989 1 18 . ARG . 15989 1 19 . TYR . 15989 1 20 . GLY . 15989 1 21 . ALA . 15989 1 22 . LYS . 15989 1 23 . ASP . 15989 1 24 . TRP . 15989 1 25 . ILE . 15989 1 26 . ARG . 15989 1 27 . ILE . 15989 1 28 . SER . 15989 1 29 . GLN . 15989 1 30 . LEU . 15989 1 31 . MET . 15989 1 32 . ILE . 15989 1 33 . THR . 15989 1 34 . ARG . 15989 1 35 . ASN . 15989 1 36 . PRO . 15989 1 37 . ARG . 15989 1 38 . GLN . 15989 1 39 . CYS . 15989 1 40 . ARG . 15989 1 41 . GLU . 15989 1 42 . ARG . 15989 1 43 . TRP . 15989 1 44 . ASN . 15989 1 45 . ASN . 15989 1 46 . TYR . 15989 1 47 . ILE . 15989 1 48 . ASN . 15989 1 49 . PRO . 15989 1 50 . ALA . 15989 1 51 . LEU . 15989 1 52 . ARG . 15989 1 53 . THR . 15989 1 54 . ASP . 15989 1 55 . PRO . 15989 1 56 . TRP . 15989 1 57 . SER . 15989 1 58 . PRO . 15989 1 59 . GLU . 15989 1 60 . GLU . 15989 1 61 . ASP . 15989 1 62 . MET . 15989 1 63 . LEU . 15989 1 64 . LEU . 15989 1 65 . ASP . 15989 1 66 . GLN . 15989 1 67 . LYS . 15989 1 68 . TYR . 15989 1 69 . ALA . 15989 1 70 . GLU . 15989 1 71 . TYR . 15989 1 72 . GLY . 15989 1 73 . PRO . 15989 1 74 . LYS . 15989 1 75 . TRP . 15989 1 76 . ASN . 15989 1 77 . LYS . 15989 1 78 . ILE . 15989 1 79 . SER . 15989 1 80 . LYS . 15989 1 81 . PHE . 15989 1 82 . LEU . 15989 1 83 . LYS . 15989 1 84 . ASN . 15989 1 85 . ARG . 15989 1 86 . SER . 15989 1 87 . ASP . 15989 1 88 . ASN . 15989 1 89 . ASN . 15989 1 90 . ILE . 15989 1 91 . ARG . 15989 1 92 . ASN . 15989 1 93 . ARG . 15989 1 94 . TRP . 15989 1 95 . MET . 15989 1 96 . MET . 15989 1 97 . ILE . 15989 1 98 . ALA . 15989 1 99 . ARG . 15989 1 100 . HIS . 15989 1 101 . ARG . 15989 1 102 . ALA . 15989 1 103 . LYS . 15989 1 104 . HIS . 15989 1 105 . GLN . 15989 1 106 . LYS . 15989 1 107 . SER . 15989 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 . LYS 1 1 15989 1 . VAL 2 2 15989 1 . LYS 3 3 15989 1 . PHE 4 4 15989 1 . THR 5 5 15989 1 . GLU 6 6 15989 1 . GLU 7 7 15989 1 . GLU 8 8 15989 1 . ASP 9 9 15989 1 . LEU 10 10 15989 1 . LYS 11 11 15989 1 . LEU 12 12 15989 1 . GLN 13 13 15989 1 . GLN 14 14 15989 1 . LEU 15 15 15989 1 . VAL 16 16 15989 1 . MET 17 17 15989 1 . ARG 18 18 15989 1 . TYR 19 19 15989 1 . GLY 20 20 15989 1 . ALA 21 21 15989 1 . LYS 22 22 15989 1 . ASP 23 23 15989 1 . TRP 24 24 15989 1 . ILE 25 25 15989 1 . ARG 26 26 15989 1 . ILE 27 27 15989 1 . SER 28 28 15989 1 . GLN 29 29 15989 1 . LEU 30 30 15989 1 . MET 31 31 15989 1 . ILE 32 32 15989 1 . THR 33 33 15989 1 . ARG 34 34 15989 1 . ASN 35 35 15989 1 . PRO 36 36 15989 1 . ARG 37 37 15989 1 . GLN 38 38 15989 1 . CYS 39 39 15989 1 . ARG 40 40 15989 1 . GLU 41 41 15989 1 . ARG 42 42 15989 1 . TRP 43 43 15989 1 . ASN 44 44 15989 1 . ASN 45 45 15989 1 . TYR 46 46 15989 1 . ILE 47 47 15989 1 . ASN 48 48 15989 1 . PRO 49 49 15989 1 . ALA 50 50 15989 1 . LEU 51 51 15989 1 . ARG 52 52 15989 1 . THR 53 53 15989 1 . ASP 54 54 15989 1 . PRO 55 55 15989 1 . TRP 56 56 15989 1 . SER 57 57 15989 1 . PRO 58 58 15989 1 . GLU 59 59 15989 1 . GLU 60 60 15989 1 . ASP 61 61 15989 1 . MET 62 62 15989 1 . LEU 63 63 15989 1 . LEU 64 64 15989 1 . ASP 65 65 15989 1 . GLN 66 66 15989 1 . LYS 67 67 15989 1 . TYR 68 68 15989 1 . ALA 69 69 15989 1 . GLU 70 70 15989 1 . TYR 71 71 15989 1 . GLY 72 72 15989 1 . PRO 73 73 15989 1 . LYS 74 74 15989 1 . TRP 75 75 15989 1 . ASN 76 76 15989 1 . LYS 77 77 15989 1 . ILE 78 78 15989 1 . SER 79 79 15989 1 . LYS 80 80 15989 1 . PHE 81 81 15989 1 . LEU 82 82 15989 1 . LYS 83 83 15989 1 . ASN 84 84 15989 1 . ARG 85 85 15989 1 . SER 86 86 15989 1 . ASP 87 87 15989 1 . ASN 88 88 15989 1 . ASN 89 89 15989 1 . ILE 90 90 15989 1 . ARG 91 91 15989 1 . ASN 92 92 15989 1 . ARG 93 93 15989 1 . TRP 94 94 15989 1 . MET 95 95 15989 1 . MET 96 96 15989 1 . ILE 97 97 15989 1 . ALA 98 98 15989 1 . ARG 99 99 15989 1 . HIS 100 100 15989 1 . ARG 101 101 15989 1 . ALA 102 102 15989 1 . LYS 103 103 15989 1 . HIS 104 104 15989 1 . GLN 105 105 15989 1 . LYS 106 106 15989 1 . SER 107 107 15989 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 15989 _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 $entity . 5722 organism . 'Trichomonas vaginalis' 'Trichomonas vaginalis' . . Eukaryota . Trichomonas vaginalis . . . . . . . . . . . . . . . . . . . . . 15989 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 15989 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET29b . . . . . . 15989 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15989 _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 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 15989 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15989 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15989 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 15989 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 15989 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15989 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 15989 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15989 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15989 2 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 15989 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 15989 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 15989 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.17 . M 15989 1 pH 6.0 . pH 15989 1 pressure 1 . atm 15989 1 temperature 298 . K 15989 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 15989 _Software.ID 1 _Software.Name NMRViewJ _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15989 1 'data analysis' 15989 1 'peak picking' 15989 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15989 _Software.ID 2 _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' . . 15989 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15989 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15989 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15989 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15989 3 'data analysis' 15989 3 'peak picking' 15989 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15989 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15989 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15989 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15989 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15989 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15989 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15989 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15989 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15989 6 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 15989 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15989 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15989 _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 . 600 . . . 15989 1 2 spectrometer_2 Bruker Avance . 800 . . . 15989 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 15989 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15989 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15989 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15989 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15989 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15989 1 11 '2D 1H-15N HxNOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15989 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15989 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15989 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15989 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15989 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 15989 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15989 1 2 '3D HNCO' . . . 15989 1 3 '3D CBCA(CO)NH' . . . 15989 1 4 '3D HNCACB' . . . 15989 1 7 '3D HN(CA)CO' . . . 15989 1 8 '3D HCCH-TOCSY' . . . 15989 1 9 '3D C(CO)NH' . . . 15989 1 10 '3D HBHA(CO)NH' . . . 15989 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRViewJ . . 15989 1 3 $SPARKY . . 15989 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.38 0.01 . 1 . . . . 1 LYS HA . 15989 1 2 . 1 1 1 1 LYS HB2 H 1 1.769 0.01 . 2 . . . . 1 LYS HB2 . 15989 1 3 . 1 1 1 1 LYS HB3 H 1 1.8 0.01 . 2 . . . . 1 LYS HB3 . 15989 1 4 . 1 1 1 1 LYS HD2 H 1 1.685 0.01 . 2 . . . . 1 LYS HD2 . 15989 1 5 . 1 1 1 1 LYS HD3 H 1 1.685 0.01 . 2 . . . . 1 LYS HD3 . 15989 1 6 . 1 1 1 1 LYS HE2 H 1 2.965 0.01 . 2 . . . . 1 LYS HE2 . 15989 1 7 . 1 1 1 1 LYS HE3 H 1 2.965 0.01 . 2 . . . . 1 LYS HE3 . 15989 1 8 . 1 1 1 1 LYS HG2 H 1 1.381 0.01 . 2 . . . . 1 LYS HG2 . 15989 1 9 . 1 1 1 1 LYS HG3 H 1 1.458 0.01 . 2 . . . . 1 LYS HG3 . 15989 1 10 . 1 1 1 1 LYS C C 13 176.026 0.1 . 1 . . . . 1 LYS C . 15989 1 11 . 1 1 1 1 LYS CA C 13 56.4 0.1 . 1 . . . . 1 LYS CA . 15989 1 12 . 1 1 1 1 LYS CB C 13 32.844 0.1 . 1 . . . . 1 LYS CB . 15989 1 13 . 1 1 1 1 LYS CD C 13 28.939 0.1 . 1 . . . . 1 LYS CD . 15989 1 14 . 1 1 1 1 LYS CE C 13 42.045 0.1 . 1 . . . . 1 LYS CE . 15989 1 15 . 1 1 1 1 LYS CG C 13 24.712 0.1 . 1 . . . . 1 LYS CG . 15989 1 16 . 1 1 2 2 VAL H H 1 8.319 0.01 . 1 . . . . 2 VAL H . 15989 1 17 . 1 1 2 2 VAL HA H 1 4.096 0.01 . 1 . . . . 2 VAL HA . 15989 1 18 . 1 1 2 2 VAL HB H 1 2.01 0.01 . 1 . . . . 2 VAL HB . 15989 1 19 . 1 1 2 2 VAL HG11 H 1 0.919 0.01 . 2 . . . . 2 VAL HG1 . 15989 1 20 . 1 1 2 2 VAL HG12 H 1 0.919 0.01 . 2 . . . . 2 VAL HG1 . 15989 1 21 . 1 1 2 2 VAL HG13 H 1 0.919 0.01 . 2 . . . . 2 VAL HG1 . 15989 1 22 . 1 1 2 2 VAL HG21 H 1 0.919 0.01 . 2 . . . . 2 VAL HG2 . 15989 1 23 . 1 1 2 2 VAL HG22 H 1 0.919 0.01 . 2 . . . . 2 VAL HG2 . 15989 1 24 . 1 1 2 2 VAL HG23 H 1 0.919 0.01 . 2 . . . . 2 VAL HG2 . 15989 1 25 . 1 1 2 2 VAL C C 13 176.167 0.1 . 1 . . . . 2 VAL C . 15989 1 26 . 1 1 2 2 VAL CA C 13 67.781 0.1 . 1 . . . . 2 VAL CA . 15989 1 27 . 1 1 2 2 VAL CB C 13 32.484 0.1 . 1 . . . . 2 VAL CB . 15989 1 28 . 1 1 2 2 VAL CG1 C 13 20.959 0.1 . 2 . . . . 2 VAL CG1 . 15989 1 29 . 1 1 2 2 VAL CG2 C 13 20.959 0.1 . 2 . . . . 2 VAL CG2 . 15989 1 30 . 1 1 2 2 VAL N N 15 122.596 0.1 . 1 . . . . 2 VAL N . 15989 1 31 . 1 1 3 3 LYS H H 1 8.47 0.01 . 1 . . . . 3 LYS H . 15989 1 32 . 1 1 3 3 LYS HA H 1 4.327 0.01 . 1 . . . . 3 LYS HA . 15989 1 33 . 1 1 3 3 LYS HB2 H 1 1.737 0.01 . 2 . . . . 3 LYS HB2 . 15989 1 34 . 1 1 3 3 LYS HB3 H 1 1.791 0.01 . 2 . . . . 3 LYS HB3 . 15989 1 35 . 1 1 3 3 LYS HD2 H 1 1.66 0.01 . 2 . . . . 3 LYS HD2 . 15989 1 36 . 1 1 3 3 LYS HD3 H 1 1.66 0.01 . 2 . . . . 3 LYS HD3 . 15989 1 37 . 1 1 3 3 LYS HE2 H 1 2.965 0.01 . 2 . . . . 3 LYS HE2 . 15989 1 38 . 1 1 3 3 LYS HE3 H 1 2.965 0.01 . 2 . . . . 3 LYS HE3 . 15989 1 39 . 1 1 3 3 LYS HG2 H 1 1.429 0.01 . 2 . . . . 3 LYS HG2 . 15989 1 40 . 1 1 3 3 LYS HG3 H 1 1.429 0.01 . 2 . . . . 3 LYS HG3 . 15989 1 41 . 1 1 3 3 LYS C C 13 176.713 0.1 . 1 . . . . 3 LYS C . 15989 1 42 . 1 1 3 3 LYS CA C 13 56.391 0.1 . 1 . . . . 3 LYS CA . 15989 1 43 . 1 1 3 3 LYS CB C 13 32.723 0.1 . 1 . . . . 3 LYS CB . 15989 1 44 . 1 1 3 3 LYS CD C 13 29.17 0.1 . 1 . . . . 3 LYS CD . 15989 1 45 . 1 1 3 3 LYS CE C 13 42.041 0.1 . 1 . . . . 3 LYS CE . 15989 1 46 . 1 1 3 3 LYS CG C 13 24.487 0.1 . 1 . . . . 3 LYS CG . 15989 1 47 . 1 1 3 3 LYS N N 15 127.359 0.1 . 1 . . . . 3 LYS N . 15989 1 48 . 1 1 4 4 PHE H H 1 8.471 0.01 . 1 . . . . 4 PHE H . 15989 1 49 . 1 1 4 4 PHE HA H 1 4.491 0.01 . 1 . . . . 4 PHE HA . 15989 1 50 . 1 1 4 4 PHE HB2 H 1 2.96 0.01 . 2 . . . . 4 PHE HB2 . 15989 1 51 . 1 1 4 4 PHE HB3 H 1 2.96 0.01 . 2 . . . . 4 PHE HB3 . 15989 1 52 . 1 1 4 4 PHE HD1 H 1 7.216 0.01 . 3 . . . . 4 PHE HD1 . 15989 1 53 . 1 1 4 4 PHE HD2 H 1 7.216 0.01 . 3 . . . . 4 PHE HD2 . 15989 1 54 . 1 1 4 4 PHE HE1 H 1 7.09 0.01 . 3 . . . . 4 PHE HE1 . 15989 1 55 . 1 1 4 4 PHE HE2 H 1 7.09 0.01 . 3 . . . . 4 PHE HE2 . 15989 1 56 . 1 1 4 4 PHE HZ H 1 6.818 0.01 . 1 . . . . 4 PHE HZ . 15989 1 57 . 1 1 4 4 PHE C C 13 177.923 0.1 . 1 . . . . 4 PHE C . 15989 1 58 . 1 1 4 4 PHE CA C 13 57.566 0.1 . 1 . . . . 4 PHE CA . 15989 1 59 . 1 1 4 4 PHE CB C 13 39.751 0.1 . 1 . . . . 4 PHE CB . 15989 1 60 . 1 1 4 4 PHE CD1 C 13 132.31 0.1 . 3 . . . . 4 PHE CD1 . 15989 1 61 . 1 1 4 4 PHE CD2 C 13 132.31 0.1 . 3 . . . . 4 PHE CD2 . 15989 1 62 . 1 1 4 4 PHE CE1 C 13 130.64 0.1 . 3 . . . . 4 PHE CE1 . 15989 1 63 . 1 1 4 4 PHE CE2 C 13 130.64 0.1 . 3 . . . . 4 PHE CE2 . 15989 1 64 . 1 1 4 4 PHE CZ C 13 128.51 0.1 . 1 . . . . 4 PHE CZ . 15989 1 65 . 1 1 4 4 PHE N N 15 125.57 0.1 . 1 . . . . 4 PHE N . 15989 1 66 . 1 1 5 5 THR H H 1 8.88 0.01 . 1 . . . . 5 THR H . 15989 1 67 . 1 1 5 5 THR HA H 1 4.49 0.01 . 1 . . . . 5 THR HA . 15989 1 68 . 1 1 5 5 THR HB H 1 4.769 0.01 . 1 . . . . 5 THR HB . 15989 1 69 . 1 1 5 5 THR HG21 H 1 1.277 0.01 . 1 . . . . 5 THR HG2 . 15989 1 70 . 1 1 5 5 THR HG22 H 1 1.277 0.01 . 1 . . . . 5 THR HG2 . 15989 1 71 . 1 1 5 5 THR HG23 H 1 1.277 0.01 . 1 . . . . 5 THR HG2 . 15989 1 72 . 1 1 5 5 THR C C 13 175.297 0.1 . 1 . . . . 5 THR C . 15989 1 73 . 1 1 5 5 THR CA C 13 60.14 0.1 . 1 . . . . 5 THR CA . 15989 1 74 . 1 1 5 5 THR CB C 13 70.922 0.1 . 1 . . . . 5 THR CB . 15989 1 75 . 1 1 5 5 THR CG2 C 13 21.89 0.1 . 1 . . . . 5 THR CG2 . 15989 1 76 . 1 1 5 5 THR N N 15 114.601 0.1 . 1 . . . . 5 THR N . 15989 1 77 . 1 1 6 6 GLU H H 1 9.00 0.01 . 1 . . . . 6 GLU H . 15989 1 78 . 1 1 6 6 GLU HA H 1 4.142 0.01 . 1 . . . . 6 GLU HA . 15989 1 79 . 1 1 6 6 GLU HB2 H 1 2.066 0.01 . 2 . . . . 6 GLU HB2 . 15989 1 80 . 1 1 6 6 GLU HB3 H 1 1.963 0.01 . 2 . . . . 6 GLU HB3 . 15989 1 81 . 1 1 6 6 GLU HG2 H 1 2.116 0.01 . 2 . . . . 6 GLU HG2 . 15989 1 82 . 1 1 6 6 GLU HG3 H 1 2.247 0.01 . 2 . . . . 6 GLU HG3 . 15989 1 83 . 1 1 6 6 GLU C C 13 179.326 0.1 . 1 . . . . 6 GLU C . 15989 1 84 . 1 1 6 6 GLU CA C 13 59.675 0.1 . 1 . . . . 6 GLU CA . 15989 1 85 . 1 1 6 6 GLU CB C 13 29.203 0.1 . 1 . . . . 6 GLU CB . 15989 1 86 . 1 1 6 6 GLU CG C 13 36.428 0.1 . 1 . . . . 6 GLU CG . 15989 1 87 . 1 1 6 6 GLU N N 15 121.577 0.1 . 1 . . . . 6 GLU N . 15989 1 88 . 1 1 7 7 GLU H H 1 8.658 0.01 . 1 . . . . 7 GLU H . 15989 1 89 . 1 1 7 7 GLU HA H 1 4.026 0.01 . 1 . . . . 7 GLU HA . 15989 1 90 . 1 1 7 7 GLU HB2 H 1 2.13 0.01 . 2 . . . . 7 GLU HB2 . 15989 1 91 . 1 1 7 7 GLU HB3 H 1 2.024 0.01 . 2 . . . . 7 GLU HB3 . 15989 1 92 . 1 1 7 7 GLU HG2 H 1 2.345 0.01 . 2 . . . . 7 GLU HG2 . 15989 1 93 . 1 1 7 7 GLU HG3 H 1 2.345 0.01 . 2 . . . . 7 GLU HG3 . 15989 1 94 . 1 1 7 7 GLU C C 13 179.616 0.1 . 1 . . . . 7 GLU C . 15989 1 95 . 1 1 7 7 GLU CA C 13 59.683 0.1 . 1 . . . . 7 GLU CA . 15989 1 96 . 1 1 7 7 GLU CB C 13 28.972 0.1 . 1 . . . . 7 GLU CB . 15989 1 97 . 1 1 7 7 GLU CG C 13 36.647 0.1 . 1 . . . . 7 GLU CG . 15989 1 98 . 1 1 7 7 GLU N N 15 118.231 0.1 . 1 . . . . 7 GLU N . 15989 1 99 . 1 1 8 8 GLU H H 1 7.93 0.01 . 1 . . . . 8 GLU H . 15989 1 100 . 1 1 8 8 GLU HA H 1 3.955 0.01 . 1 . . . . 8 GLU HA . 15989 1 101 . 1 1 8 8 GLU HB2 H 1 1.821 0.01 . 2 . . . . 8 GLU HB2 . 15989 1 102 . 1 1 8 8 GLU HB3 H 1 2.45 0.01 . 2 . . . . 8 GLU HB3 . 15989 1 103 . 1 1 8 8 GLU HG2 H 1 2.421 0.01 . 2 . . . . 8 GLU HG2 . 15989 1 104 . 1 1 8 8 GLU HG3 H 1 1.936 0.01 . 2 . . . . 8 GLU HG3 . 15989 1 105 . 1 1 8 8 GLU C C 13 178.395 0.1 . 1 . . . . 8 GLU C . 15989 1 106 . 1 1 8 8 GLU CA C 13 59.672 0.1 . 1 . . . . 8 GLU CA . 15989 1 107 . 1 1 8 8 GLU CB C 13 31.318 0.1 . 1 . . . . 8 GLU CB . 15989 1 108 . 1 1 8 8 GLU CG C 13 38.059 0.1 . 1 . . . . 8 GLU CG . 15989 1 109 . 1 1 8 8 GLU N N 15 121.169 0.1 . 1 . . . . 8 GLU N . 15989 1 110 . 1 1 9 9 ASP H H 1 8.507 0.01 . 1 . . . . 9 ASP H . 15989 1 111 . 1 1 9 9 ASP HA H 1 4.677 0.01 . 1 . . . . 9 ASP HA . 15989 1 112 . 1 1 9 9 ASP HB2 H 1 2.525 0.01 . 2 . . . . 9 ASP HB2 . 15989 1 113 . 1 1 9 9 ASP HB3 H 1 2.857 0.01 . 2 . . . . 9 ASP HB3 . 15989 1 114 . 1 1 9 9 ASP C C 13 179.329 0.1 . 1 . . . . 9 ASP C . 15989 1 115 . 1 1 9 9 ASP CA C 13 57.562 0.1 . 1 . . . . 9 ASP CA . 15989 1 116 . 1 1 9 9 ASP CB C 13 40.217 0.1 . 1 . . . . 9 ASP CB . 15989 1 117 . 1 1 9 9 ASP N N 15 121.164 0.1 . 1 . . . . 9 ASP N . 15989 1 118 . 1 1 10 10 LEU H H 1 8.042 0.01 . 1 . . . . 10 LEU H . 15989 1 119 . 1 1 10 10 LEU HA H 1 4.143 0.01 . 1 . . . . 10 LEU HA . 15989 1 120 . 1 1 10 10 LEU HB2 H 1 1.732 0.01 . 2 . . . . 10 LEU HB2 . 15989 1 121 . 1 1 10 10 LEU HB3 H 1 1.732 0.01 . 2 . . . . 10 LEU HB3 . 15989 1 122 . 1 1 10 10 LEU HD11 H 1 0.93 0.01 . 2 . . . . 10 LEU HD1 . 15989 1 123 . 1 1 10 10 LEU HD12 H 1 0.93 0.01 . 2 . . . . 10 LEU HD1 . 15989 1 124 . 1 1 10 10 LEU HD13 H 1 0.93 0.01 . 2 . . . . 10 LEU HD1 . 15989 1 125 . 1 1 10 10 LEU HD21 H 1 0.93 0.01 . 2 . . . . 10 LEU HD2 . 15989 1 126 . 1 1 10 10 LEU HD22 H 1 0.93 0.01 . 2 . . . . 10 LEU HD2 . 15989 1 127 . 1 1 10 10 LEU HD23 H 1 0.93 0.01 . 2 . . . . 10 LEU HD2 . 15989 1 128 . 1 1 10 10 LEU HG H 1 1.735 0.01 . 1 . . . . 10 LEU HG . 15989 1 129 . 1 1 10 10 LEU C C 13 179.329 0.1 . 1 . . . . 10 LEU C . 15989 1 130 . 1 1 10 10 LEU CA C 13 57.796 0.1 . 1 . . . . 10 LEU CA . 15989 1 131 . 1 1 10 10 LEU CB C 13 41.392 0.1 . 1 . . . . 10 LEU CB . 15989 1 132 . 1 1 10 10 LEU CD1 C 13 24.027 0.1 . 2 . . . . 10 LEU CD1 . 15989 1 133 . 1 1 10 10 LEU CD2 C 13 24.027 0.1 . 2 . . . . 10 LEU CD2 . 15989 1 134 . 1 1 10 10 LEU CG C 13 27.041 0.1 . 1 . . . . 10 LEU CG . 15989 1 135 . 1 1 10 10 LEU N N 15 120.628 0.1 . 1 . . . . 10 LEU N . 15989 1 136 . 1 1 11 11 LYS H H 1 8.04 0.01 . 1 . . . . 11 LYS H . 15989 1 137 . 1 1 11 11 LYS HA H 1 4.049 0.01 . 1 . . . . 11 LYS HA . 15989 1 138 . 1 1 11 11 LYS HB2 H 1 1.964 0.01 . 2 . . . . 11 LYS HB2 . 15989 1 139 . 1 1 11 11 LYS HB3 H 1 1.964 0.01 . 2 . . . . 11 LYS HB3 . 15989 1 140 . 1 1 11 11 LYS HD2 H 1 2.28 0.01 . 2 . . . . 11 LYS HD2 . 15989 1 141 . 1 1 11 11 LYS HD3 H 1 2.113 0.01 . 2 . . . . 11 LYS HD3 . 15989 1 142 . 1 1 11 11 LYS HE2 H 1 3.053 0.01 . 2 . . . . 11 LYS HE2 . 15989 1 143 . 1 1 11 11 LYS HE3 H 1 3.053 0.01 . 2 . . . . 11 LYS HE3 . 15989 1 144 . 1 1 11 11 LYS HG2 H 1 1.578 0.01 . 2 . . . . 11 LYS HG2 . 15989 1 145 . 1 1 11 11 LYS HG3 H 1 1.578 0.01 . 2 . . . . 11 LYS HG3 . 15989 1 146 . 1 1 11 11 LYS C C 13 178.345 0.1 . 1 . . . . 11 LYS C . 15989 1 147 . 1 1 11 11 LYS CA C 13 59.199 0.1 . 1 . . . . 11 LYS CA . 15989 1 148 . 1 1 11 11 LYS CB C 13 32.488 0.1 . 1 . . . . 11 LYS CB . 15989 1 149 . 1 1 11 11 LYS CD C 13 29.619 0.1 . 1 . . . . 11 LYS CD . 15989 1 150 . 1 1 11 11 LYS CE C 13 42.051 0.1 . 1 . . . . 11 LYS CE . 15989 1 151 . 1 1 11 11 LYS CG C 13 25.173 0.1 . 1 . . . . 11 LYS CG . 15989 1 152 . 1 1 11 11 LYS N N 15 121.016 0.1 . 1 . . . . 11 LYS N . 15989 1 153 . 1 1 12 12 LEU H H 1 8.865 0.01 . 1 . . . . 12 LEU H . 15989 1 154 . 1 1 12 12 LEU HA H 1 4.258 0.01 . 1 . . . . 12 LEU HA . 15989 1 155 . 1 1 12 12 LEU HB2 H 1 2.379 0.01 . 2 . . . . 12 LEU HB2 . 15989 1 156 . 1 1 12 12 LEU HB3 H 1 1.879 0.01 . 2 . . . . 12 LEU HB3 . 15989 1 157 . 1 1 12 12 LEU HD11 H 1 1.218 0.01 . 2 . . . . 12 LEU HD1 . 15989 1 158 . 1 1 12 12 LEU HD12 H 1 1.218 0.01 . 2 . . . . 12 LEU HD1 . 15989 1 159 . 1 1 12 12 LEU HD13 H 1 1.218 0.01 . 2 . . . . 12 LEU HD1 . 15989 1 160 . 1 1 12 12 LEU HD21 H 1 1.27 0.01 . 2 . . . . 12 LEU HD2 . 15989 1 161 . 1 1 12 12 LEU HD22 H 1 1.27 0.01 . 2 . . . . 12 LEU HD2 . 15989 1 162 . 1 1 12 12 LEU HD23 H 1 1.27 0.01 . 2 . . . . 12 LEU HD2 . 15989 1 163 . 1 1 12 12 LEU HG H 1 1.87 0.01 . 1 . . . . 12 LEU HG . 15989 1 164 . 1 1 12 12 LEU C C 13 178.298 0.1 . 1 . . . . 12 LEU C . 15989 1 165 . 1 1 12 12 LEU CA C 13 58.5 0.1 . 1 . . . . 12 LEU CA . 15989 1 166 . 1 1 12 12 LEU CB C 13 41.389 0.1 . 1 . . . . 12 LEU CB . 15989 1 167 . 1 1 12 12 LEU CD1 C 13 24.705 0.1 . 2 . . . . 12 LEU CD1 . 15989 1 168 . 1 1 12 12 LEU CG C 13 27.292 0.1 . 1 . . . . 12 LEU CG . 15989 1 169 . 1 1 12 12 LEU N N 15 120.138 0.1 . 1 . . . . 12 LEU N . 15989 1 170 . 1 1 13 13 GLN H H 1 8.4 0.01 . 1 . . . . 13 GLN H . 15989 1 171 . 1 1 13 13 GLN HA H 1 4.097 0.01 . 1 . . . . 13 GLN HA . 15989 1 172 . 1 1 13 13 GLN HB2 H 1 1.993 0.01 . 2 . . . . 13 GLN HB2 . 15989 1 173 . 1 1 13 13 GLN HB3 H 1 2.028 0.01 . 2 . . . . 13 GLN HB3 . 15989 1 174 . 1 1 13 13 GLN HE21 H 1 7.243 0.01 . 2 . . . . 13 GLN HE21 . 15989 1 175 . 1 1 13 13 GLN HE22 H 1 6.869 0.01 . 2 . . . . 13 GLN HE22 . 15989 1 176 . 1 1 13 13 GLN HG2 H 1 2.11 0.01 . 2 . . . . 13 GLN HG2 . 15989 1 177 . 1 1 13 13 GLN HG3 H 1 2.11 0.01 . 2 . . . . 13 GLN HG3 . 15989 1 178 . 1 1 13 13 GLN C C 13 178.254 0.1 . 1 . . . . 13 GLN C . 15989 1 179 . 1 1 13 13 GLN CA C 13 59.693 0.1 . 1 . . . . 13 GLN CA . 15989 1 180 . 1 1 13 13 GLN CB C 13 28.733 0.1 . 1 . . . . 13 GLN CB . 15989 1 181 . 1 1 13 13 GLN CG C 13 34.096 0.1 . 1 . . . . 13 GLN CG . 15989 1 182 . 1 1 13 13 GLN N N 15 117.136 0.1 . 1 . . . . 13 GLN N . 15989 1 183 . 1 1 13 13 GLN NE2 N 15 110.4 0.1 . 1 . . . . 13 GLN NE2 . 15989 1 184 . 1 1 14 14 GLN H H 1 8.175 0.01 . 1 . . . . 14 GLN H . 15989 1 185 . 1 1 14 14 GLN HA H 1 3.98 0.01 . 1 . . . . 14 GLN HA . 15989 1 186 . 1 1 14 14 GLN HB2 H 1 2.36 0.01 . 2 . . . . 14 GLN HB2 . 15989 1 187 . 1 1 14 14 GLN HB3 H 1 2.131 0.01 . 2 . . . . 14 GLN HB3 . 15989 1 188 . 1 1 14 14 GLN HE21 H 1 7.4 0.01 . 2 . . . . 14 GLN HE21 . 15989 1 189 . 1 1 14 14 GLN HE22 H 1 6.712 0.01 . 2 . . . . 14 GLN HE22 . 15989 1 190 . 1 1 14 14 GLN HG2 H 1 2.63 0.01 . 2 . . . . 14 GLN HG2 . 15989 1 191 . 1 1 14 14 GLN HG3 H 1 2.41 0.01 . 2 . . . . 14 GLN HG3 . 15989 1 192 . 1 1 14 14 GLN C C 13 179.518 0.1 . 1 . . . . 14 GLN C . 15989 1 193 . 1 1 14 14 GLN CA C 13 58.745 0.1 . 1 . . . . 14 GLN CA . 15989 1 194 . 1 1 14 14 GLN CB C 13 28.034 0.1 . 1 . . . . 14 GLN CB . 15989 1 195 . 1 1 14 14 GLN CG C 13 33.85 0.1 . 1 . . . . 14 GLN CG . 15989 1 196 . 1 1 14 14 GLN N N 15 117.947 0.1 . 1 . . . . 14 GLN N . 15989 1 197 . 1 1 14 14 GLN NE2 N 15 111.1 0.1 . 1 . . . . 14 GLN NE2 . 15989 1 198 . 1 1 15 15 LEU H H 1 8.721 0.01 . 1 . . . . 15 LEU H . 15989 1 199 . 1 1 15 15 LEU HA H 1 4.143 0.01 . 1 . . . . 15 LEU HA . 15989 1 200 . 1 1 15 15 LEU HB2 H 1 2.208 0.01 . 2 . . . . 15 LEU HB2 . 15989 1 201 . 1 1 15 15 LEU HB3 H 1 1.331 0.01 . 2 . . . . 15 LEU HB3 . 15989 1 202 . 1 1 15 15 LEU HD11 H 1 0.903 0.01 . 2 . . . . 15 LEU HD1 . 15989 1 203 . 1 1 15 15 LEU HD12 H 1 0.903 0.01 . 2 . . . . 15 LEU HD1 . 15989 1 204 . 1 1 15 15 LEU HD13 H 1 0.903 0.01 . 2 . . . . 15 LEU HD1 . 15989 1 205 . 1 1 15 15 LEU HD21 H 1 0.903 0.01 . 2 . . . . 15 LEU HD2 . 15989 1 206 . 1 1 15 15 LEU HD22 H 1 0.903 0.01 . 2 . . . . 15 LEU HD2 . 15989 1 207 . 1 1 15 15 LEU HD23 H 1 0.903 0.01 . 2 . . . . 15 LEU HD2 . 15989 1 208 . 1 1 15 15 LEU HG H 1 1.735 0.01 . 1 . . . . 15 LEU HG . 15989 1 209 . 1 1 15 15 LEU C C 13 178.956 0.1 . 1 . . . . 15 LEU C . 15989 1 210 . 1 1 15 15 LEU CA C 13 57.562 0.1 . 1 . . . . 15 LEU CA . 15989 1 211 . 1 1 15 15 LEU CB C 13 42.801 0.1 . 1 . . . . 15 LEU CB . 15989 1 212 . 1 1 15 15 LEU CD1 C 13 23.771 0.1 . 2 . . . . 15 LEU CD1 . 15989 1 213 . 1 1 15 15 LEU CD2 C 13 23.771 0.1 . 2 . . . . 15 LEU CD2 . 15989 1 214 . 1 1 15 15 LEU CG C 13 27.281 0.1 . 1 . . . . 15 LEU CG . 15989 1 215 . 1 1 15 15 LEU N N 15 120.641 0.1 . 1 . . . . 15 LEU N . 15989 1 216 . 1 1 16 16 VAL H H 1 8.603 0.01 . 1 . . . . 16 VAL H . 15989 1 217 . 1 1 16 16 VAL HA H 1 3.23 0.01 . 1 . . . . 16 VAL HA . 15989 1 218 . 1 1 16 16 VAL HB H 1 1.31 0.01 . 1 . . . . 16 VAL HB . 15989 1 219 . 1 1 16 16 VAL HG11 H 1 0.462 0.01 . 2 . . . . 16 VAL HG1 . 15989 1 220 . 1 1 16 16 VAL HG12 H 1 0.462 0.01 . 2 . . . . 16 VAL HG1 . 15989 1 221 . 1 1 16 16 VAL HG13 H 1 0.462 0.01 . 2 . . . . 16 VAL HG1 . 15989 1 222 . 1 1 16 16 VAL HG21 H 1 -0.424 0.01 . 2 . . . . 16 VAL HG2 . 15989 1 223 . 1 1 16 16 VAL HG22 H 1 -0.424 0.01 . 2 . . . . 16 VAL HG2 . 15989 1 224 . 1 1 16 16 VAL HG23 H 1 -0.424 0.01 . 2 . . . . 16 VAL HG2 . 15989 1 225 . 1 1 16 16 VAL C C 13 179.988 0.1 . 1 . . . . 16 VAL C . 15989 1 226 . 1 1 16 16 VAL CA C 13 65.733 0.1 . 1 . . . . 16 VAL CA . 15989 1 227 . 1 1 16 16 VAL CB C 13 30.609 0.1 . 1 . . . . 16 VAL CB . 15989 1 228 . 1 1 16 16 VAL CG1 C 13 22.894 0.1 . 2 . . . . 16 VAL CG1 . 15989 1 229 . 1 1 16 16 VAL CG2 C 13 20.494 0.1 . 2 . . . . 16 VAL CG2 . 15989 1 230 . 1 1 16 16 VAL N N 15 120.873 0.1 . 1 . . . . 16 VAL N . 15989 1 231 . 1 1 17 17 MET H H 1 8.058 0.01 . 1 . . . . 17 MET H . 15989 1 232 . 1 1 17 17 MET HA H 1 4.05 0.01 . 1 . . . . 17 MET HA . 15989 1 233 . 1 1 17 17 MET HB2 H 1 2.167 0.01 . 2 . . . . 17 MET HB2 . 15989 1 234 . 1 1 17 17 MET HB3 H 1 1.99 0.01 . 2 . . . . 17 MET HB3 . 15989 1 235 . 1 1 17 17 MET HG2 H 1 2.673 0.01 . 2 . . . . 17 MET HG2 . 15989 1 236 . 1 1 17 17 MET HG3 H 1 2.819 0.01 . 2 . . . . 17 MET HG3 . 15989 1 237 . 1 1 17 17 MET C C 13 177.501 0.1 . 1 . . . . 17 MET C . 15989 1 238 . 1 1 17 17 MET CA C 13 58.27 0.1 . 1 . . . . 17 MET CA . 15989 1 239 . 1 1 17 17 MET CB C 13 31.784 0.1 . 1 . . . . 17 MET CB . 15989 1 240 . 1 1 17 17 MET CG C 13 32.438 0.1 . 1 . . . . 17 MET CG . 15989 1 241 . 1 1 17 17 MET N N 15 119.24 0.1 . 1 . . . . 17 MET N . 15989 1 242 . 1 1 18 18 ARG H H 1 7.406 0.01 . 1 . . . . 18 ARG H . 15989 1 243 . 1 1 18 18 ARG HA H 1 3.957 0.01 . 1 . . . . 18 ARG HA . 15989 1 244 . 1 1 18 18 ARG HB2 H 1 1.285 0.01 . 2 . . . . 18 ARG HB2 . 15989 1 245 . 1 1 18 18 ARG HB3 H 1 1.54 0.01 . 2 . . . . 18 ARG HB3 . 15989 1 246 . 1 1 18 18 ARG HD2 H 1 2.841 0.01 . 2 . . . . 18 ARG HD2 . 15989 1 247 . 1 1 18 18 ARG HD3 H 1 2.841 0.01 . 2 . . . . 18 ARG HD3 . 15989 1 248 . 1 1 18 18 ARG HG2 H 1 0.6331 0.01 . 2 . . . . 18 ARG HG2 . 15989 1 249 . 1 1 18 18 ARG HG3 H 1 0.95 0.01 . 2 . . . . 18 ARG HG3 . 15989 1 250 . 1 1 18 18 ARG C C 13 177.691 0.1 . 1 . . . . 18 ARG C . 15989 1 251 . 1 1 18 18 ARG CA C 13 58.301 0.1 . 1 . . . . 18 ARG CA . 15989 1 252 . 1 1 18 18 ARG CB C 13 30.842 0.1 . 1 . . . . 18 ARG CB . 15989 1 253 . 1 1 18 18 ARG CD C 13 42.998 0.1 . 1 . . . . 18 ARG CD . 15989 1 254 . 1 1 18 18 ARG CG C 13 26.35 0.1 . 1 . . . . 18 ARG CG . 15989 1 255 . 1 1 18 18 ARG N N 15 117.487 0.1 . 1 . . . . 18 ARG N . 15989 1 256 . 1 1 19 19 TYR H H 1 8.571 0.01 . 1 . . . . 19 TYR H . 15989 1 257 . 1 1 19 19 TYR HA H 1 4.49 0.01 . 1 . . . . 19 TYR HA . 15989 1 258 . 1 1 19 19 TYR HB2 H 1 2.54 0.01 . 2 . . . . 19 TYR HB2 . 15989 1 259 . 1 1 19 19 TYR HB3 H 1 3.133 0.01 . 2 . . . . 19 TYR HB3 . 15989 1 260 . 1 1 19 19 TYR HD1 H 1 7.135 0.01 . 3 . . . . 19 TYR HD1 . 15989 1 261 . 1 1 19 19 TYR HD2 H 1 7.135 0.01 . 3 . . . . 19 TYR HD2 . 15989 1 262 . 1 1 19 19 TYR HE1 H 1 6.69 0.01 . 3 . . . . 19 TYR HE1 . 15989 1 263 . 1 1 19 19 TYR HE2 H 1 6.69 0.01 . 3 . . . . 19 TYR HE2 . 15989 1 264 . 1 1 19 19 TYR C C 13 176.706 0.1 . 1 . . . . 19 TYR C . 15989 1 265 . 1 1 19 19 TYR CA C 13 58.739 0.1 . 1 . . . . 19 TYR CA . 15989 1 266 . 1 1 19 19 TYR CB C 13 39.044 0.1 . 1 . . . . 19 TYR CB . 15989 1 267 . 1 1 19 19 TYR CD1 C 13 132.84 0.1 . 3 . . . . 19 TYR CD1 . 15989 1 268 . 1 1 19 19 TYR CD2 C 13 132.84 0.1 . 3 . . . . 19 TYR CD2 . 15989 1 269 . 1 1 19 19 TYR CE1 C 13 118.52 0.1 . 3 . . . . 19 TYR CE1 . 15989 1 270 . 1 1 19 19 TYR CE2 C 13 118.52 0.1 . 3 . . . . 19 TYR CE2 . 15989 1 271 . 1 1 19 19 TYR N N 15 115.284 0.1 . 1 . . . . 19 TYR N . 15989 1 272 . 1 1 20 20 GLY H H 1 8.148 0.01 . 1 . . . . 20 GLY H . 15989 1 273 . 1 1 20 20 GLY HA2 H 1 3.609 0.01 . 2 . . . . 20 GLY HA2 . 15989 1 274 . 1 1 20 20 GLY HA3 H 1 4.137 0.01 . 2 . . . . 20 GLY HA3 . 15989 1 275 . 1 1 20 20 GLY C C 13 171.784 0.1 . 1 . . . . 20 GLY C . 15989 1 276 . 1 1 20 20 GLY CA C 13 43.972 0.1 . 1 . . . . 20 GLY CA . 15989 1 277 . 1 1 20 20 GLY N N 15 110.83 0.1 . 1 . . . . 20 GLY N . 15989 1 278 . 1 1 21 21 ALA H H 1 7.886 0.01 . 1 . . . . 21 ALA H . 15989 1 279 . 1 1 21 21 ALA HA H 1 3.40 0.01 . 1 . . . . 21 ALA HA . 15989 1 280 . 1 1 21 21 ALA HB1 H 1 1.016 0.01 . 1 . . . . 21 ALA HB . 15989 1 281 . 1 1 21 21 ALA HB2 H 1 1.016 0.01 . 1 . . . . 21 ALA HB . 15989 1 282 . 1 1 21 21 ALA HB3 H 1 1.016 0.01 . 1 . . . . 21 ALA HB . 15989 1 283 . 1 1 21 21 ALA C C 13 176.002 0.1 . 1 . . . . 21 ALA C . 15989 1 284 . 1 1 21 21 ALA CA C 13 49.825 0.1 . 1 . . . . 21 ALA CA . 15989 1 285 . 1 1 21 21 ALA CB C 13 17.96 0.1 . 1 . . . . 21 ALA CB . 15989 1 286 . 1 1 21 21 ALA N N 15 119.337 0.1 . 1 . . . . 21 ALA N . 15989 1 287 . 1 1 22 22 LYS H H 1 7.424 0.01 . 1 . . . . 22 LYS H . 15989 1 288 . 1 1 22 22 LYS HA H 1 4.258 0.01 . 1 . . . . 22 LYS HA . 15989 1 289 . 1 1 22 22 LYS HB2 H 1 1.541 0.01 . 2 . . . . 22 LYS HB2 . 15989 1 290 . 1 1 22 22 LYS HB3 H 1 1.78 0.01 . 2 . . . . 22 LYS HB3 . 15989 1 291 . 1 1 22 22 LYS HD2 H 1 1.65 0.01 . 2 . . . . 22 LYS HD2 . 15989 1 292 . 1 1 22 22 LYS HD3 H 1 1.65 0.01 . 2 . . . . 22 LYS HD3 . 15989 1 293 . 1 1 22 22 LYS HE2 H 1 2.972 0.01 . 2 . . . . 22 LYS HE2 . 15989 1 294 . 1 1 22 22 LYS HE3 H 1 2.972 0.01 . 2 . . . . 22 LYS HE3 . 15989 1 295 . 1 1 22 22 LYS HG2 H 1 1.252 0.01 . 2 . . . . 22 LYS HG2 . 15989 1 296 . 1 1 22 22 LYS HG3 H 1 1.252 0.01 . 2 . . . . 22 LYS HG3 . 15989 1 297 . 1 1 22 22 LYS C C 13 175.769 0.1 . 1 . . . . 22 LYS C . 15989 1 298 . 1 1 22 22 LYS CA C 13 55.921 0.1 . 1 . . . . 22 LYS CA . 15989 1 299 . 1 1 22 22 LYS CB C 13 33.371 0.1 . 1 . . . . 22 LYS CB . 15989 1 300 . 1 1 22 22 LYS CD C 13 28.923 0.1 . 1 . . . . 22 LYS CD . 15989 1 301 . 1 1 22 22 LYS CE C 13 42.053 0.1 . 1 . . . . 22 LYS CE . 15989 1 302 . 1 1 22 22 LYS CG C 13 24.688 0.1 . 1 . . . . 22 LYS CG . 15989 1 303 . 1 1 22 22 LYS N N 15 115.793 0.1 . 1 . . . . 22 LYS N . 15989 1 304 . 1 1 23 23 ASP H H 1 7.724 0.1 . 1 . . . . 23 ASP H . 15989 1 305 . 1 1 23 23 ASP HA H 1 4.7 0.1 . 1 . . . . 23 ASP HA . 15989 1 306 . 1 1 23 23 ASP HB2 H 1 2.239 0.1 . 2 . . . . 23 ASP HB2 . 15989 1 307 . 1 1 23 23 ASP HB3 H 1 2.674 0.1 . 2 . . . . 23 ASP HB3 . 15989 1 308 . 1 1 23 23 ASP C C 13 176.142 0.1 . 1 . . . . 23 ASP C . 15989 1 309 . 1 1 23 23 ASP CA C 13 51.704 0.1 . 1 . . . . 23 ASP CA . 15989 1 310 . 1 1 23 23 ASP CB C 13 39.514 0.1 . 1 . . . . 23 ASP CB . 15989 1 311 . 1 1 23 23 ASP N N 15 119.398 0.1 . 1 . . . . 23 ASP N . 15989 1 312 . 1 1 24 24 TRP H H 1 8.035 0.1 . 1 . . . . 24 TRP H . 15989 1 313 . 1 1 24 24 TRP HA H 1 4.258 0.1 . 1 . . . . 24 TRP HA . 15989 1 314 . 1 1 24 24 TRP HB2 H 1 3.074 0.1 . 2 . . . . 24 TRP HB2 . 15989 1 315 . 1 1 24 24 TRP HB3 H 1 3.55 0.1 . 2 . . . . 24 TRP HB3 . 15989 1 316 . 1 1 24 24 TRP HD1 H 1 7.37 0.1 . 1 . . . . 24 TRP HD1 . 15989 1 317 . 1 1 24 24 TRP HE1 H 1 9.855 0.1 . 1 . . . . 24 TRP HE1 . 15989 1 318 . 1 1 24 24 TRP HE3 H 1 7.18 0.1 . 1 . . . . 24 TRP HE3 . 15989 1 319 . 1 1 24 24 TRP HH2 H 1 6.65 0.1 . 1 . . . . 24 TRP HH2 . 15989 1 320 . 1 1 24 24 TRP HZ2 H 1 7.37 0.1 . 1 . . . . 24 TRP HZ2 . 15989 1 321 . 1 1 24 24 TRP HZ3 H 1 6.58 0.1 . 1 . . . . 24 TRP HZ3 . 15989 1 322 . 1 1 24 24 TRP C C 13 178.252 0.1 . 1 . . . . 24 TRP C . 15989 1 323 . 1 1 24 24 TRP CA C 13 58.736 0.1 . 1 . . . . 24 TRP CA . 15989 1 324 . 1 1 24 24 TRP CB C 13 28.97 0.1 . 1 . . . . 24 TRP CB . 15989 1 325 . 1 1 24 24 TRP CD1 C 13 127.76 0.1 . 1 . . . . 24 TRP CD1 . 15989 1 326 . 1 1 24 24 TRP CE3 C 13 124.81 0.1 . 1 . . . . 24 TRP CE3 . 15989 1 327 . 1 1 24 24 TRP CH2 C 13 124.96 0.1 . 1 . . . . 24 TRP CH2 . 15989 1 328 . 1 1 24 24 TRP CZ2 C 13 114.89 0.1 . 1 . . . . 24 TRP CZ2 . 15989 1 329 . 1 1 24 24 TRP CZ3 C 13 121.54 0.1 . 1 . . . . 24 TRP CZ3 . 15989 1 330 . 1 1 24 24 TRP N N 15 123.13 0.1 . 1 . . . . 24 TRP N . 15989 1 331 . 1 1 24 24 TRP NE1 N 15 129.22 0.1 . 1 . . . . 24 TRP NE1 . 15989 1 332 . 1 1 25 25 ILE H H 1 8.092 0.1 . 1 . . . . 25 ILE H . 15989 1 333 . 1 1 25 25 ILE HA H 1 3.724 0.1 . 1 . . . . 25 ILE HA . 15989 1 334 . 1 1 25 25 ILE HB H 1 2.053 0.1 . 1 . . . . 25 ILE HB . 15989 1 335 . 1 1 25 25 ILE HD11 H 1 0.916 0.1 . 1 . . . . 25 ILE HD1 . 15989 1 336 . 1 1 25 25 ILE HD12 H 1 0.916 0.1 . 1 . . . . 25 ILE HD1 . 15989 1 337 . 1 1 25 25 ILE HD13 H 1 0.916 0.1 . 1 . . . . 25 ILE HD1 . 15989 1 338 . 1 1 25 25 ILE HG12 H 1 1.669 0.1 . 2 . . . . 25 ILE HG12 . 15989 1 339 . 1 1 25 25 ILE HG13 H 1 1.220 0.1 . 2 . . . . 25 ILE HG13 . 15989 1 340 . 1 1 25 25 ILE HG21 H 1 0.846 0.1 . 1 . . . . 25 ILE HG2 . 15989 1 341 . 1 1 25 25 ILE HG22 H 1 0.846 0.1 . 1 . . . . 25 ILE HG2 . 15989 1 342 . 1 1 25 25 ILE HG23 H 1 0.846 0.1 . 1 . . . . 25 ILE HG2 . 15989 1 343 . 1 1 25 25 ILE C C 13 177.806 0.1 . 1 . . . . 25 ILE C . 15989 1 344 . 1 1 25 25 ILE CA C 13 65.06 0.1 . 1 . . . . 25 ILE CA . 15989 1 345 . 1 1 25 25 ILE CB C 13 36.234 0.1 . 1 . . . . 25 ILE CB . 15989 1 346 . 1 1 25 25 ILE CD1 C 13 12.518 0.1 . 1 . . . . 25 ILE CD1 . 15989 1 347 . 1 1 25 25 ILE CG1 C 13 29.912 0.1 . 1 . . . . 25 ILE CG1 . 15989 1 348 . 1 1 25 25 ILE CG2 C 13 16.983 0.1 . 1 . . . . 25 ILE CG2 . 15989 1 349 . 1 1 25 25 ILE N N 15 121.518 0.1 . 1 . . . . 25 ILE N . 15989 1 350 . 1 1 26 26 ARG H H 1 7.503 0.1 . 1 . . . . 26 ARG H . 15989 1 351 . 1 1 26 26 ARG HA H 1 3.864 0.1 . 1 . . . . 26 ARG HA . 15989 1 352 . 1 1 26 26 ARG HB2 H 1 1.427 0.1 . 2 . . . . 26 ARG HB2 . 15989 1 353 . 1 1 26 26 ARG HB3 H 1 1.651 0.1 . 2 . . . . 26 ARG HB3 . 15989 1 354 . 1 1 26 26 ARG HD2 H 1 2.763 0.1 . 2 . . . . 26 ARG HD2 . 15989 1 355 . 1 1 26 26 ARG HD3 H 1 2.813 0.1 . 2 . . . . 26 ARG HD3 . 15989 1 356 . 1 1 26 26 ARG HG2 H 1 1.26 0.1 . 2 . . . . 26 ARG HG2 . 15989 1 357 . 1 1 26 26 ARG HG3 H 1 1.132 0.1 . 2 . . . . 26 ARG HG3 . 15989 1 358 . 1 1 26 26 ARG C C 13 178.303 0.1 . 1 . . . . 26 ARG C . 15989 1 359 . 1 1 26 26 ARG CA C 13 58.267 0.1 . 1 . . . . 26 ARG CA . 15989 1 360 . 1 1 26 26 ARG CB C 13 29.68 0.1 . 1 . . . . 26 ARG CB . 15989 1 361 . 1 1 26 26 ARG CD C 13 42.976 0.1 . 1 . . . . 26 ARG CD . 15989 1 362 . 1 1 26 26 ARG CG C 13 25.875 0.1 . 1 . . . . 26 ARG CG . 15989 1 363 . 1 1 26 26 ARG N N 15 122.119 0.1 . 1 . . . . 26 ARG N . 15989 1 364 . 1 1 27 27 ILE H H 1 7.34 0.1 . 1 . . . . 27 ILE H . 15989 1 365 . 1 1 27 27 ILE HA H 1 3.45 0.1 . 1 . . . . 27 ILE HA . 15989 1 366 . 1 1 27 27 ILE HB H 1 1.914 0.1 . 1 . . . . 27 ILE HB . 15989 1 367 . 1 1 27 27 ILE HD11 H 1 0.3873 0.1 . 1 . . . . 27 ILE HD1 . 15989 1 368 . 1 1 27 27 ILE HD12 H 1 0.3873 0.1 . 1 . . . . 27 ILE HD1 . 15989 1 369 . 1 1 27 27 ILE HD13 H 1 0.3873 0.1 . 1 . . . . 27 ILE HD1 . 15989 1 370 . 1 1 27 27 ILE HG12 H 1 1.172 0.1 . 2 . . . . 27 ILE HG12 . 15989 1 371 . 1 1 27 27 ILE HG13 H 1 1.122 0.1 . 2 . . . . 27 ILE HG13 . 15989 1 372 . 1 1 27 27 ILE HG21 H 1 1.003 0.1 . 1 . . . . 27 ILE HG2 . 15989 1 373 . 1 1 27 27 ILE HG22 H 1 1.003 0.1 . 1 . . . . 27 ILE HG2 . 15989 1 374 . 1 1 27 27 ILE HG23 H 1 1.003 0.1 . 1 . . . . 27 ILE HG2 . 15989 1 375 . 1 1 27 27 ILE C C 13 177.689 0.1 . 1 . . . . 27 ILE C . 15989 1 376 . 1 1 27 27 ILE CA C 13 63.893 0.1 . 1 . . . . 27 ILE CA . 15989 1 377 . 1 1 27 27 ILE CB C 13 36.474 0.1 . 1 . . . . 27 ILE CB . 15989 1 378 . 1 1 27 27 ILE CD1 C 13 10.875 0.1 . 1 . . . . 27 ILE CD1 . 15989 1 379 . 1 1 27 27 ILE CG1 C 13 28.213 0.1 . 1 . . . . 27 ILE CG1 . 15989 1 380 . 1 1 27 27 ILE CG2 C 13 17.425 0.1 . 1 . . . . 27 ILE CG2 . 15989 1 381 . 1 1 27 27 ILE N N 15 115.446 0.1 . 1 . . . . 27 ILE N . 15989 1 382 . 1 1 28 28 SER H H 1 8.203 0.1 . 1 . . . . 28 SER H . 15989 1 383 . 1 1 28 28 SER HA H 1 4.144 0.1 . 1 . . . . 28 SER HA . 15989 1 384 . 1 1 28 28 SER HB2 H 1 3.982 0.1 . 2 . . . . 28 SER HB2 . 15989 1 385 . 1 1 28 28 SER HB3 H 1 3.982 0.1 . 2 . . . . 28 SER HB3 . 15989 1 386 . 1 1 28 28 SER C C 13 177.22 0.1 . 1 . . . . 28 SER C . 15989 1 387 . 1 1 28 28 SER CA C 13 61.085 0.1 . 1 . . . . 28 SER CA . 15989 1 388 . 1 1 28 28 SER CB C 13 63.421 0.1 . 1 . . . . 28 SER CB . 15989 1 389 . 1 1 28 28 SER N N 15 113.324 0.1 . 1 . . . . 28 SER N . 15989 1 390 . 1 1 29 29 GLN H H 1 8.177 0.01 . 1 . . . . 29 GLN H . 15989 1 391 . 1 1 29 29 GLN HA H 1 4.003 0.01 . 1 . . . . 29 GLN HA . 15989 1 392 . 1 1 29 29 GLN HB2 H 1 2.03 0.01 . 2 . . . . 29 GLN HB2 . 15989 1 393 . 1 1 29 29 GLN HB3 H 1 2.311 0.01 . 2 . . . . 29 GLN HB3 . 15989 1 394 . 1 1 29 29 GLN HE21 H 1 7.446 0.01 . 2 . . . . 29 GLN HE21 . 15989 1 395 . 1 1 29 29 GLN HE22 H 1 6.857 0.01 . 2 . . . . 29 GLN HE22 . 15989 1 396 . 1 1 29 29 GLN HG2 H 1 2.36 0.01 . 2 . . . . 29 GLN HG2 . 15989 1 397 . 1 1 29 29 GLN HG3 H 1 2.635 0.01 . 2 . . . . 29 GLN HG3 . 15989 1 398 . 1 1 29 29 GLN C C 13 178.91 0.1 . 1 . . . . 29 GLN C . 15989 1 399 . 1 1 29 29 GLN CA C 13 58.503 0.1 . 1 . . . . 29 GLN CA . 15989 1 400 . 1 1 29 29 GLN CB C 13 27.796 0.1 . 1 . . . . 29 GLN CB . 15989 1 401 . 1 1 29 29 GLN CG C 13 34.073 0.1 . 1 . . . . 29 GLN CG . 15989 1 402 . 1 1 29 29 GLN N N 15 120.561 0.1 . 1 . . . . 29 GLN N . 15989 1 403 . 1 1 29 29 GLN NE2 N 15 111.4 0.1 . 1 . . . . 29 GLN NE2 . 15989 1 404 . 1 1 30 30 LEU H H 1 7.494 0.01 . 1 . . . . 30 LEU H . 15989 1 405 . 1 1 30 30 LEU HA H 1 4.258 0.01 . 1 . . . . 30 LEU HA . 15989 1 406 . 1 1 30 30 LEU HB2 H 1 1.48 0.01 . 2 . . . . 30 LEU HB2 . 15989 1 407 . 1 1 30 30 LEU HB3 H 1 1.887 0.01 . 2 . . . . 30 LEU HB3 . 15989 1 408 . 1 1 30 30 LEU HD11 H 1 0.802 0.01 . 2 . . . . 30 LEU HD1 . 15989 1 409 . 1 1 30 30 LEU HD12 H 1 0.802 0.01 . 2 . . . . 30 LEU HD1 . 15989 1 410 . 1 1 30 30 LEU HD13 H 1 0.802 0.01 . 2 . . . . 30 LEU HD1 . 15989 1 411 . 1 1 30 30 LEU HD21 H 1 0.592 0.01 . 2 . . . . 30 LEU HD2 . 15989 1 412 . 1 1 30 30 LEU HD22 H 1 0.592 0.01 . 2 . . . . 30 LEU HD2 . 15989 1 413 . 1 1 30 30 LEU HD23 H 1 0.592 0.01 . 2 . . . . 30 LEU HD2 . 15989 1 414 . 1 1 30 30 LEU HG H 1 1.668 0.01 . 1 . . . . 30 LEU HG . 15989 1 415 . 1 1 30 30 LEU C C 13 178.956 0.1 . 1 . . . . 30 LEU C . 15989 1 416 . 1 1 30 30 LEU CA C 13 55.675 0.1 . 1 . . . . 30 LEU CA . 15989 1 417 . 1 1 30 30 LEU CB C 13 42.559 0.1 . 1 . . . . 30 LEU CB . 15989 1 418 . 1 1 30 30 LEU CD1 C 13 22.364 0.1 . 2 . . . . 30 LEU CD1 . 15989 1 419 . 1 1 30 30 LEU CD2 C 13 26.4 0.1 . 2 . . . . 30 LEU CD2 . 15989 1 420 . 1 1 30 30 LEU CG C 13 26.813 0.1 . 1 . . . . 30 LEU CG . 15989 1 421 . 1 1 30 30 LEU N N 15 118.106 0.1 . 1 . . . . 30 LEU N . 15989 1 422 . 1 1 31 31 MET H H 1 8.399 0.1 . 1 . . . . 31 MET H . 15989 1 423 . 1 1 31 31 MET HA H 1 4.329 0.1 . 1 . . . . 31 MET HA . 15989 1 424 . 1 1 31 31 MET HB2 H 1 1.945 0.1 . 2 . . . . 31 MET HB2 . 15989 1 425 . 1 1 31 31 MET HB3 H 1 2.388 0.1 . 2 . . . . 31 MET HB3 . 15989 1 426 . 1 1 31 31 MET HG2 H 1 2.847 0.1 . 2 . . . . 31 MET HG2 . 15989 1 427 . 1 1 31 31 MET HG3 H 1 2.643 0.1 . 2 . . . . 31 MET HG3 . 15989 1 428 . 1 1 31 31 MET C C 13 179.515 0.1 . 1 . . . . 31 MET C . 15989 1 429 . 1 1 31 31 MET CA C 13 55.921 0.1 . 1 . . . . 31 MET CA . 15989 1 430 . 1 1 31 31 MET CB C 13 31.31 0.1 . 1 . . . . 31 MET CB . 15989 1 431 . 1 1 31 31 MET CG C 13 33.136 0.1 . 1 . . . . 31 MET CG . 15989 1 432 . 1 1 31 31 MET N N 15 120.008 0.1 . 1 . . . . 31 MET N . 15989 1 433 . 1 1 32 32 ILE H H 1 8.177 0.1 . 1 . . . . 32 ILE H . 15989 1 434 . 1 1 32 32 ILE HA H 1 3.423 0.1 . 1 . . . . 32 ILE HA . 15989 1 435 . 1 1 32 32 ILE HB H 1 2.599 0.1 . 1 . . . . 32 ILE HB . 15989 1 436 . 1 1 32 32 ILE HD11 H 1 0.868 0.1 . 1 . . . . 32 ILE HD1 . 15989 1 437 . 1 1 32 32 ILE HD12 H 1 0.868 0.1 . 1 . . . . 32 ILE HD1 . 15989 1 438 . 1 1 32 32 ILE HD13 H 1 0.868 0.1 . 1 . . . . 32 ILE HD1 . 15989 1 439 . 1 1 32 32 ILE HG12 H 1 1.571 0.1 . 2 . . . . 32 ILE HG12 . 15989 1 440 . 1 1 32 32 ILE HG13 H 1 1.026 0.1 . 2 . . . . 32 ILE HG13 . 15989 1 441 . 1 1 32 32 ILE HG21 H 1 1.01 0.1 . 1 . . . . 32 ILE HG2 . 15989 1 442 . 1 1 32 32 ILE HG22 H 1 1.01 0.1 . 1 . . . . 32 ILE HG2 . 15989 1 443 . 1 1 32 32 ILE HG23 H 1 1.01 0.1 . 1 . . . . 32 ILE HG2 . 15989 1 444 . 1 1 32 32 ILE C C 13 179.473 0.1 . 1 . . . . 32 ILE C . 15989 1 445 . 1 1 32 32 ILE CA C 13 67.639 0.1 . 1 . . . . 32 ILE CA . 15989 1 446 . 1 1 32 32 ILE CB C 13 35.767 0.1 . 1 . . . . 32 ILE CB . 15989 1 447 . 1 1 32 32 ILE CD1 C 13 12.987 0.1 . 1 . . . . 32 ILE CD1 . 15989 1 448 . 1 1 32 32 ILE CG1 C 13 28.217 0.1 . 1 . . . . 32 ILE CG1 . 15989 1 449 . 1 1 32 32 ILE CG2 C 13 17.903 0.1 . 1 . . . . 32 ILE CG2 . 15989 1 450 . 1 1 32 32 ILE N N 15 114.338 0.1 . 1 . . . . 32 ILE N . 15989 1 451 . 1 1 33 33 THR H H 1 8.957 0.1 . 1 . . . . 33 THR H . 15989 1 452 . 1 1 33 33 THR HA H 1 4.143 0.1 . 1 . . . . 33 THR HA . 15989 1 453 . 1 1 33 33 THR HB H 1 4.422 0.1 . 1 . . . . 33 THR HB . 15989 1 454 . 1 1 33 33 THR HG21 H 1 1.193 0.1 . 1 . . . . 33 THR HG2 . 15989 1 455 . 1 1 33 33 THR HG22 H 1 1.193 0.1 . 1 . . . . 33 THR HG2 . 15989 1 456 . 1 1 33 33 THR HG23 H 1 1.193 0.1 . 1 . . . . 33 THR HG2 . 15989 1 457 . 1 1 33 33 THR C C 13 174.361 0.1 . 1 . . . . 33 THR C . 15989 1 458 . 1 1 33 33 THR CA C 13 62.251 0.1 . 1 . . . . 33 THR CA . 15989 1 459 . 1 1 33 33 THR CB C 13 68.581 0.1 . 1 . . . . 33 THR CB . 15989 1 460 . 1 1 33 33 THR CG2 C 13 22.826 0.1 . 1 . . . . 33 THR CG2 . 15989 1 461 . 1 1 33 33 THR N N 15 110.164 0.1 . 1 . . . . 33 THR N . 15989 1 462 . 1 1 34 34 ARG H H 1 6.509 0.1 . 1 . . . . 34 ARG H . 15989 1 463 . 1 1 34 34 ARG HA H 1 4.862 0.1 . 1 . . . . 34 ARG HA . 15989 1 464 . 1 1 34 34 ARG HB2 H 1 1.403 0.1 . 2 . . . . 34 ARG HB2 . 15989 1 465 . 1 1 34 34 ARG HB3 H 1 1.649 0.1 . 2 . . . . 34 ARG HB3 . 15989 1 466 . 1 1 34 34 ARG HD2 H 1 3.438 0.1 . 2 . . . . 34 ARG HD2 . 15989 1 467 . 1 1 34 34 ARG HD3 H 1 3.438 0.1 . 2 . . . . 34 ARG HD3 . 15989 1 468 . 1 1 34 34 ARG HG2 H 1 1.292 0.1 . 2 . . . . 34 ARG HG2 . 15989 1 469 . 1 1 34 34 ARG HG3 H 1 0.8935 0.1 . 2 . . . . 34 ARG HG3 . 15989 1 470 . 1 1 34 34 ARG C C 13 174.922 0.1 . 1 . . . . 34 ARG C . 15989 1 471 . 1 1 34 34 ARG CA C 13 51.939 0.1 . 1 . . . . 34 ARG CA . 15989 1 472 . 1 1 34 34 ARG CB C 13 36.061 0.1 . 1 . . . . 34 ARG CB . 15989 1 473 . 1 1 34 34 ARG CD C 13 42.274 0.1 . 1 . . . . 34 ARG CD . 15989 1 474 . 1 1 34 34 ARG CG C 13 24.004 0.1 . 1 . . . . 34 ARG CG . 15989 1 475 . 1 1 34 34 ARG N N 15 116.058 0.1 . 1 . . . . 34 ARG N . 15989 1 476 . 1 1 35 35 ASN H H 1 8.733 0.1 . 1 . . . . 35 ASN H . 15989 1 477 . 1 1 35 35 ASN HA H 1 4.81 0.1 . 1 . . . . 35 ASN HA . 15989 1 478 . 1 1 35 35 ASN HB2 H 1 3.434 0.1 . 2 . . . . 35 ASN HB2 . 15989 1 479 . 1 1 35 35 ASN HB3 H 1 2.814 0.1 . 2 . . . . 35 ASN HB3 . 15989 1 480 . 1 1 35 35 ASN HD21 H 1 7.56 0.1 . 2 . . . . 35 ASN HD21 . 15989 1 481 . 1 1 35 35 ASN HD22 H 1 6.95 0.1 . 2 . . . . 35 ASN HD22 . 15989 1 482 . 1 1 35 35 ASN C C 13 173.986 0.1 . 1 . . . . 35 ASN C . 15989 1 483 . 1 1 35 35 ASN CA C 13 52.107 0.1 . 1 . . . . 35 ASN CA . 15989 1 484 . 1 1 35 35 ASN CB C 13 36.636 0.1 . 1 . . . . 35 ASN CB . 15989 1 485 . 1 1 35 35 ASN N N 15 122.84 0.1 . 1 . . . . 35 ASN N . 15989 1 486 . 1 1 35 35 ASN ND2 N 15 111.9 0.1 . 1 . . . . 35 ASN ND2 . 15989 1 487 . 1 1 36 36 PRO HA H 1 4.197 0.1 . 1 . . . . 36 PRO HA . 15989 1 488 . 1 1 36 36 PRO HB2 H 1 2.155 0.1 . 2 . . . . 36 PRO HB2 . 15989 1 489 . 1 1 36 36 PRO HB3 H 1 2.08 0.1 . 2 . . . . 36 PRO HB3 . 15989 1 490 . 1 1 36 36 PRO HD2 H 1 3.93 0.1 . 2 . . . . 36 PRO HD2 . 15989 1 491 . 1 1 36 36 PRO HD3 H 1 3.93 0.1 . 2 . . . . 36 PRO HD3 . 15989 1 492 . 1 1 36 36 PRO HG2 H 1 2.314 0.1 . 2 . . . . 36 PRO HG2 . 15989 1 493 . 1 1 36 36 PRO HG3 H 1 2.058 0.1 . 2 . . . . 36 PRO HG3 . 15989 1 494 . 1 1 36 36 PRO C C 13 178.019 0.1 . 1 . . . . 36 PRO C . 15989 1 495 . 1 1 36 36 PRO CA C 13 67.412 0.1 . 1 . . . . 36 PRO CA . 15989 1 496 . 1 1 36 36 PRO CB C 13 32.018 0.1 . 1 . . . . 36 PRO CB . 15989 1 497 . 1 1 36 36 PRO CD C 13 50.724 0.1 . 1 . . . . 36 PRO CD . 15989 1 498 . 1 1 36 36 PRO CG C 13 27.025 0.1 . 1 . . . . 36 PRO CG . 15989 1 499 . 1 1 37 37 ARG H H 1 7.804 0.1 . 1 . . . . 37 ARG H . 15989 1 500 . 1 1 37 37 ARG HA H 1 3.749 0.1 . 1 . . . . 37 ARG HA . 15989 1 501 . 1 1 37 37 ARG HB2 H 1 1.82 0.1 . 2 . . . . 37 ARG HB2 . 15989 1 502 . 1 1 37 37 ARG HB3 H 1 1.82 0.1 . 2 . . . . 37 ARG HB3 . 15989 1 503 . 1 1 37 37 ARG HD2 H 1 3.161 0.1 . 2 . . . . 37 ARG HD2 . 15989 1 504 . 1 1 37 37 ARG HD3 H 1 3.161 0.1 . 2 . . . . 37 ARG HD3 . 15989 1 505 . 1 1 37 37 ARG HG2 H 1 1.571 0.1 . 2 . . . . 37 ARG HG2 . 15989 1 506 . 1 1 37 37 ARG HG3 H 1 1.482 0.1 . 2 . . . . 37 ARG HG3 . 15989 1 507 . 1 1 37 37 ARG C C 13 178.3 0.1 . 1 . . . . 37 ARG C . 15989 1 508 . 1 1 37 37 ARG CA C 13 59.202 0.1 . 1 . . . . 37 ARG CA . 15989 1 509 . 1 1 37 37 ARG CB C 13 29.435 0.1 . 1 . . . . 37 ARG CB . 15989 1 510 . 1 1 37 37 ARG CD C 13 43.23 0.1 . 1 . . . . 37 ARG CD . 15989 1 511 . 1 1 37 37 ARG CG C 13 27.051 0.1 . 1 . . . . 37 ARG CG . 15989 1 512 . 1 1 37 37 ARG N N 15 117.759 0.1 . 1 . . . . 37 ARG N . 15989 1 513 . 1 1 38 38 GLN H H 1 8.682 0.01 . 1 . . . . 38 GLN H . 15989 1 514 . 1 1 38 38 GLN HA H 1 4.043 0.01 . 1 . . . . 38 GLN HA . 15989 1 515 . 1 1 38 38 GLN HB2 H 1 1.983 0.01 . 2 . . . . 38 GLN HB2 . 15989 1 516 . 1 1 38 38 GLN HB3 H 1 2.417 0.01 . 2 . . . . 38 GLN HB3 . 15989 1 517 . 1 1 38 38 GLN HE21 H 1 7.70 0.01 . 2 . . . . 38 GLN HE21 . 15989 1 518 . 1 1 38 38 GLN HE22 H 1 7.136 0.01 . 2 . . . . 38 GLN HE22 . 15989 1 519 . 1 1 38 38 GLN HG2 H 1 2.603 0.01 . 2 . . . . 38 GLN HG2 . 15989 1 520 . 1 1 38 38 GLN HG3 H 1 2.527 0.01 . 2 . . . . 38 GLN HG3 . 15989 1 521 . 1 1 38 38 GLN C C 13 180.078 0.1 . 1 . . . . 38 GLN C . 15989 1 522 . 1 1 38 38 GLN CA C 13 58.506 0.1 . 1 . . . . 38 GLN CA . 15989 1 523 . 1 1 38 38 GLN CB C 13 29.431 0.1 . 1 . . . . 38 GLN CB . 15989 1 524 . 1 1 38 38 GLN CG C 13 34.545 0.1 . 1 . . . . 38 GLN CG . 15989 1 525 . 1 1 38 38 GLN N N 15 117.504 0.1 . 1 . . . . 38 GLN N . 15989 1 526 . 1 1 38 38 GLN NE2 N 15 112.6 0.1 . 1 . . . . 38 GLN NE2 . 15989 1 527 . 1 1 39 39 CYS H H 1 8.095 0.1 . 1 . . . . 39 CYS H . 15989 1 528 . 1 1 39 39 CYS HA H 1 4.059 0.1 . 1 . . . . 39 CYS HA . 15989 1 529 . 1 1 39 39 CYS HB2 H 1 2.784 0.1 . 2 . . . . 39 CYS HB2 . 15989 1 530 . 1 1 39 39 CYS HB3 H 1 3.332 0.1 . 2 . . . . 39 CYS HB3 . 15989 1 531 . 1 1 39 39 CYS C C 13 173.893 0.1 . 1 . . . . 39 CYS C . 15989 1 532 . 1 1 39 39 CYS CA C 13 64.592 0.1 . 1 . . . . 39 CYS CA . 15989 1 533 . 1 1 39 39 CYS CB C 13 27.328 0.1 . 1 . . . . 39 CYS CB . 15989 1 534 . 1 1 39 39 CYS N N 15 116.291 0.1 . 1 . . . . 39 CYS N . 15989 1 535 . 1 1 40 40 ARG H H 1 7.589 0.1 . 1 . . . . 40 ARG H . 15989 1 536 . 1 1 40 40 ARG HA H 1 1.821 0.1 . 1 . . . . 40 ARG HA . 15989 1 537 . 1 1 40 40 ARG HB2 H 1 0.065 0.1 . 2 . . . . 40 ARG HB2 . 15989 1 538 . 1 1 40 40 ARG HB3 H 1 1.149 0.1 . 2 . . . . 40 ARG HB3 . 15989 1 539 . 1 1 40 40 ARG HD2 H 1 3.035 0.1 . 2 . . . . 40 ARG HD2 . 15989 1 540 . 1 1 40 40 ARG HD3 H 1 2.777 0.1 . 2 . . . . 40 ARG HD3 . 15989 1 541 . 1 1 40 40 ARG HG2 H 1 0.793 0.1 . 2 . . . . 40 ARG HG2 . 15989 1 542 . 1 1 40 40 ARG HG3 H 1 1.035 0.1 . 2 . . . . 40 ARG HG3 . 15989 1 543 . 1 1 40 40 ARG C C 13 178.204 0.1 . 1 . . . . 40 ARG C . 15989 1 544 . 1 1 40 40 ARG CA C 13 58.264 0.1 . 1 . . . . 40 ARG CA . 15989 1 545 . 1 1 40 40 ARG CB C 13 29.44 0.1 . 1 . . . . 40 ARG CB . 15989 1 546 . 1 1 40 40 ARG CD C 13 43.463 0.1 . 1 . . . . 40 ARG CD . 15989 1 547 . 1 1 40 40 ARG CG C 13 26.815 0.1 . 1 . . . . 40 ARG CG . 15989 1 548 . 1 1 40 40 ARG N N 15 121.272 0.1 . 1 . . . . 40 ARG N . 15989 1 549 . 1 1 41 41 GLU H H 1 8.352 0.01 . 1 . . . . 41 GLU H . 15989 1 550 . 1 1 41 41 GLU HA H 1 3.817 0.01 . 1 . . . . 41 GLU HA . 15989 1 551 . 1 1 41 41 GLU HB2 H 1 1.924 0.01 . 2 . . . . 41 GLU HB2 . 15989 1 552 . 1 1 41 41 GLU HB3 H 1 1.924 0.01 . 2 . . . . 41 GLU HB3 . 15989 1 553 . 1 1 41 41 GLU HG2 H 1 2.162 0.01 . 2 . . . . 41 GLU HG2 . 15989 1 554 . 1 1 41 41 GLU HG3 H 1 2.378 0.01 . 2 . . . . 41 GLU HG3 . 15989 1 555 . 1 1 41 41 GLU C C 13 178.718 0.1 . 1 . . . . 41 GLU C . 15989 1 556 . 1 1 41 41 GLU CA C 13 58.971 0.1 . 1 . . . . 41 GLU CA . 15989 1 557 . 1 1 41 41 GLU CB C 13 28.972 0.1 . 1 . . . . 41 GLU CB . 15989 1 558 . 1 1 41 41 GLU CG C 13 36.847 0.1 . 1 . . . . 41 GLU CG . 15989 1 559 . 1 1 41 41 GLU N N 15 117.034 0.1 . 1 . . . . 41 GLU N . 15989 1 560 . 1 1 42 42 ARG H H 1 7.755 0.1 . 1 . . . . 42 ARG H . 15989 1 561 . 1 1 42 42 ARG HA H 1 3.931 0.1 . 1 . . . . 42 ARG HA . 15989 1 562 . 1 1 42 42 ARG HB2 H 1 1.603 0.1 . 2 . . . . 42 ARG HB2 . 15989 1 563 . 1 1 42 42 ARG HB3 H 1 1.717 0.1 . 2 . . . . 42 ARG HB3 . 15989 1 564 . 1 1 42 42 ARG HD2 H 1 3.068 0.1 . 2 . . . . 42 ARG HD2 . 15989 1 565 . 1 1 42 42 ARG HD3 H 1 3.055 0.1 . 2 . . . . 42 ARG HD3 . 15989 1 566 . 1 1 42 42 ARG HG2 H 1 1.495 0.1 . 2 . . . . 42 ARG HG2 . 15989 1 567 . 1 1 42 42 ARG HG3 H 1 1.457 0.1 . 2 . . . . 42 ARG HG3 . 15989 1 568 . 1 1 42 42 ARG C C 13 179.333 0.1 . 1 . . . . 42 ARG C . 15989 1 569 . 1 1 42 42 ARG CA C 13 57.261 0.1 . 1 . . . . 42 ARG CA . 15989 1 570 . 1 1 42 42 ARG CB C 13 29.61 0.1 . 1 . . . . 42 ARG CB . 15989 1 571 . 1 1 42 42 ARG CD C 13 43.212 0.1 . 1 . . . . 42 ARG CD . 15989 1 572 . 1 1 42 42 ARG CG C 13 27.24 0.1 . 1 . . . . 42 ARG CG . 15989 1 573 . 1 1 42 42 ARG N N 15 119.603 0.1 . 1 . . . . 42 ARG N . 15989 1 574 . 1 1 43 43 TRP H H 1 8.199 0.1 . 1 . . . . 43 TRP H . 15989 1 575 . 1 1 43 43 TRP HA H 1 4.292 0.1 . 1 . . . . 43 TRP HA . 15989 1 576 . 1 1 43 43 TRP HB2 H 1 3.014 0.1 . 2 . . . . 43 TRP HB2 . 15989 1 577 . 1 1 43 43 TRP HB3 H 1 3.014 0.1 . 2 . . . . 43 TRP HB3 . 15989 1 578 . 1 1 43 43 TRP HE1 H 1 10.547 0.1 . 1 . . . . 43 TRP HE1 . 15989 1 579 . 1 1 43 43 TRP C C 13 176.705 0.1 . 1 . . . . 43 TRP C . 15989 1 580 . 1 1 43 43 TRP CA C 13 57.006 0.1 . 1 . . . . 43 TRP CA . 15989 1 581 . 1 1 43 43 TRP CB C 13 29.62 0.1 . 1 . . . . 43 TRP CB . 15989 1 582 . 1 1 43 43 TRP N N 15 119.355 0.1 . 1 . . . . 43 TRP N . 15989 1 583 . 1 1 43 43 TRP NE1 N 15 130.31 0.1 . 1 . . . . 43 TRP NE1 . 15989 1 584 . 1 1 44 44 ASN H H 1 8.478 0.1 . 1 . . . . 44 ASN H . 15989 1 585 . 1 1 44 44 ASN HA H 1 4.177 0.1 . 1 . . . . 44 ASN HA . 15989 1 586 . 1 1 44 44 ASN HB2 H 1 2.644 0.1 . 2 . . . . 44 ASN HB2 . 15989 1 587 . 1 1 44 44 ASN HB3 H 1 2.73 0.1 . 2 . . . . 44 ASN HB3 . 15989 1 588 . 1 1 44 44 ASN HD21 H 1 7.54 0.1 . 2 . . . . 44 ASN HD21 . 15989 1 589 . 1 1 44 44 ASN HD22 H 1 7.063 0.1 . 2 . . . . 44 ASN HD22 . 15989 1 590 . 1 1 44 44 ASN C C 13 176.986 0.1 . 1 . . . . 44 ASN C . 15989 1 591 . 1 1 44 44 ASN CA C 13 55.457 0.1 . 1 . . . . 44 ASN CA . 15989 1 592 . 1 1 44 44 ASN CB C 13 38.347 0.1 . 1 . . . . 44 ASN CB . 15989 1 593 . 1 1 44 44 ASN N N 15 113.53 0.1 . 1 . . . . 44 ASN N . 15989 1 594 . 1 1 44 44 ASN ND2 N 15 112 0.1 . 1 . . . . 44 ASN ND2 . 15989 1 595 . 1 1 45 45 ASN H H 1 8.06 0.1 . 1 . . . . 45 ASN H . 15989 1 596 . 1 1 45 45 ASN HA H 1 4.63 0.1 . 1 . . . . 45 ASN HA . 15989 1 597 . 1 1 45 45 ASN HB2 H 1 2.774 0.1 . 2 . . . . 45 ASN HB2 . 15989 1 598 . 1 1 45 45 ASN HB3 H 1 2.774 0.1 . 2 . . . . 45 ASN HB3 . 15989 1 599 . 1 1 45 45 ASN HD21 H 1 7.48 0.1 . 2 . . . . 45 ASN HD21 . 15989 1 600 . 1 1 45 45 ASN HD22 H 1 6.953 0.1 . 2 . . . . 45 ASN HD22 . 15989 1 601 . 1 1 45 45 ASN C C 13 175.347 0.1 . 1 . . . . 45 ASN C . 15989 1 602 . 1 1 45 45 ASN CA C 13 53.35 0.1 . 1 . . . . 45 ASN CA . 15989 1 603 . 1 1 45 45 ASN CB C 13 39.047 0.1 . 1 . . . . 45 ASN CB . 15989 1 604 . 1 1 45 45 ASN N N 15 112.54 0.1 . 1 . . . . 45 ASN N . 15989 1 605 . 1 1 45 45 ASN ND2 N 15 112.7 0.1 . 1 . . . . 45 ASN ND2 . 15989 1 606 . 1 1 46 46 TYR H H 1 7.443 0.1 . 1 . . . . 46 TYR H . 15989 1 607 . 1 1 46 46 TYR HA H 1 4.447 0.1 . 1 . . . . 46 TYR HA . 15989 1 608 . 1 1 46 46 TYR HB2 H 1 2.82 0.1 . 2 . . . . 46 TYR HB2 . 15989 1 609 . 1 1 46 46 TYR HB3 H 1 2.82 0.1 . 2 . . . . 46 TYR HB3 . 15989 1 610 . 1 1 46 46 TYR HD1 H 1 6.895 0.1 . 3 . . . . 46 TYR HD1 . 15989 1 611 . 1 1 46 46 TYR HD2 H 1 6.895 0.1 . 3 . . . . 46 TYR HD2 . 15989 1 612 . 1 1 46 46 TYR HE1 H 1 6.70 0.1 . 3 . . . . 46 TYR HE1 . 15989 1 613 . 1 1 46 46 TYR HE2 H 1 6.70 0.1 . 3 . . . . 46 TYR HE2 . 15989 1 614 . 1 1 46 46 TYR C C 13 175.439 0.1 . 1 . . . . 46 TYR C . 15989 1 615 . 1 1 46 46 TYR CA C 13 60.074 0.1 . 1 . . . . 46 TYR CA . 15989 1 616 . 1 1 46 46 TYR CB C 13 40.383 0.1 . 1 . . . . 46 TYR CB . 15989 1 617 . 1 1 46 46 TYR CD1 C 13 133.36 0.1 . 3 . . . . 46 TYR CD1 . 15989 1 618 . 1 1 46 46 TYR CD2 C 13 133.36 0.1 . 3 . . . . 46 TYR CD2 . 15989 1 619 . 1 1 46 46 TYR CE1 C 13 118.83 0.1 . 3 . . . . 46 TYR CE1 . 15989 1 620 . 1 1 46 46 TYR CE2 C 13 118.83 0.1 . 3 . . . . 46 TYR CE2 . 15989 1 621 . 1 1 46 46 TYR N N 15 117.403 0.1 . 1 . . . . 46 TYR N . 15989 1 622 . 1 1 47 47 ILE HA H 1 3.786 0.1 . 1 . . . . 47 ILE HA . 15989 1 623 . 1 1 47 47 ILE HB H 1 1.76 0.1 . 1 . . . . 47 ILE HB . 15989 1 624 . 1 1 47 47 ILE HD11 H 1 0.959 0.1 . 1 . . . . 47 ILE HD1 . 15989 1 625 . 1 1 47 47 ILE HD12 H 1 0.959 0.1 . 1 . . . . 47 ILE HD1 . 15989 1 626 . 1 1 47 47 ILE HD13 H 1 0.959 0.1 . 1 . . . . 47 ILE HD1 . 15989 1 627 . 1 1 47 47 ILE HG12 H 1 1.452 0.1 . 2 . . . . 47 ILE HG12 . 15989 1 628 . 1 1 47 47 ILE HG13 H 1 1.151 0.1 . 2 . . . . 47 ILE HG13 . 15989 1 629 . 1 1 47 47 ILE HG21 H 1 0.840 0.1 . 1 . . . . 47 ILE HG2 . 15989 1 630 . 1 1 47 47 ILE HG22 H 1 0.840 0.1 . 1 . . . . 47 ILE HG2 . 15989 1 631 . 1 1 47 47 ILE HG23 H 1 0.840 0.1 . 1 . . . . 47 ILE HG2 . 15989 1 632 . 1 1 47 47 ILE C C 13 175.44 0.1 . 1 . . . . 47 ILE C . 15989 1 633 . 1 1 47 47 ILE CA C 13 62.24 0.1 . 1 . . . . 47 ILE CA . 15989 1 634 . 1 1 47 47 ILE CB C 13 38.67 0.1 . 1 . . . . 47 ILE CB . 15989 1 635 . 1 1 47 47 ILE CD1 C 13 13.21 0.1 . 1 . . . . 47 ILE CD1 . 15989 1 636 . 1 1 47 47 ILE CG1 C 13 27.76 0.1 . 1 . . . . 47 ILE CG1 . 15989 1 637 . 1 1 47 47 ILE CG2 C 13 18.32 0.1 . 1 . . . . 47 ILE CG2 . 15989 1 638 . 1 1 48 48 ASN H H 1 7.922 0.1 . 1 . . . . 48 ASN H . 15989 1 639 . 1 1 48 48 ASN HA H 1 3.795 0.1 . 1 . . . . 48 ASN HA . 15989 1 640 . 1 1 48 48 ASN HD21 H 1 7.414 0.1 . 2 . . . . 48 ASN HD21 . 15989 1 641 . 1 1 48 48 ASN HD22 H 1 6.94 0.1 . 2 . . . . 48 ASN HD22 . 15989 1 642 . 1 1 48 48 ASN C C 13 174.64 0.1 . 1 . . . . 48 ASN C . 15989 1 643 . 1 1 48 48 ASN N N 15 119.99 0.1 . 1 . . . . 48 ASN N . 15989 1 644 . 1 1 48 48 ASN ND2 N 15 112.2 0.1 . 1 . . . . 48 ASN ND2 . 15989 1 645 . 1 1 49 49 PRO HA H 1 4.166 0.1 . 1 . . . . 49 PRO HA . 15989 1 646 . 1 1 49 49 PRO HB2 H 1 2.167 0.1 . 2 . . . . 49 PRO HB2 . 15989 1 647 . 1 1 49 49 PRO HB3 H 1 1.784 0.1 . 2 . . . . 49 PRO HB3 . 15989 1 648 . 1 1 49 49 PRO HD2 H 1 3.505 0.1 . 2 . . . . 49 PRO HD2 . 15989 1 649 . 1 1 49 49 PRO HD3 H 1 3.505 0.1 . 2 . . . . 49 PRO HD3 . 15989 1 650 . 1 1 49 49 PRO HG2 H 1 1.876 0.1 . 2 . . . . 49 PRO HG2 . 15989 1 651 . 1 1 49 49 PRO HG3 H 1 1.876 0.1 . 2 . . . . 49 PRO HG3 . 15989 1 652 . 1 1 49 49 PRO C C 13 177.408 0.1 . 1 . . . . 49 PRO C . 15989 1 653 . 1 1 49 49 PRO CA C 13 64.124 0.1 . 1 . . . . 49 PRO CA . 15989 1 654 . 1 1 49 49 PRO CB C 13 31.313 0.1 . 1 . . . . 49 PRO CB . 15989 1 655 . 1 1 49 49 PRO CD C 13 50.721 0.1 . 1 . . . . 49 PRO CD . 15989 1 656 . 1 1 49 49 PRO CG C 13 26.813 0.1 . 1 . . . . 49 PRO CG . 15989 1 657 . 1 1 50 50 ALA H H 1 7.595 0.1 . 1 . . . . 50 ALA H . 15989 1 658 . 1 1 50 50 ALA HA H 1 4.128 0.1 . 1 . . . . 50 ALA HA . 15989 1 659 . 1 1 50 50 ALA HB1 H 1 1.264 0.1 . 1 . . . . 50 ALA HB . 15989 1 660 . 1 1 50 50 ALA HB2 H 1 1.264 0.1 . 1 . . . . 50 ALA HB . 15989 1 661 . 1 1 50 50 ALA HB3 H 1 1.264 0.1 . 1 . . . . 50 ALA HB . 15989 1 662 . 1 1 50 50 ALA C C 13 178.251 0.1 . 1 . . . . 50 ALA C . 15989 1 663 . 1 1 50 50 ALA CA C 13 52.642 0.1 . 1 . . . . 50 ALA CA . 15989 1 664 . 1 1 50 50 ALA CB C 13 18.422 0.1 . 1 . . . . 50 ALA CB . 15989 1 665 . 1 1 50 50 ALA N N 15 120.036 0.1 . 1 . . . . 50 ALA N . 15989 1 666 . 1 1 51 51 LEU H H 1 7.586 0.01 . 1 . . . . 51 LEU H . 15989 1 667 . 1 1 51 51 LEU HA H 1 4.119 0.01 . 1 . . . . 51 LEU HA . 15989 1 668 . 1 1 51 51 LEU HB2 H 1 1.39 0.01 . 2 . . . . 51 LEU HB2 . 15989 1 669 . 1 1 51 51 LEU HB3 H 1 1.624 0.01 . 2 . . . . 51 LEU HB3 . 15989 1 670 . 1 1 51 51 LEU HD11 H 1 0.73 0.01 . 2 . . . . 51 LEU HD1 . 15989 1 671 . 1 1 51 51 LEU HD12 H 1 0.73 0.01 . 2 . . . . 51 LEU HD1 . 15989 1 672 . 1 1 51 51 LEU HD13 H 1 0.73 0.01 . 2 . . . . 51 LEU HD1 . 15989 1 673 . 1 1 51 51 LEU HD21 H 1 0.75 0.01 . 2 . . . . 51 LEU HD2 . 15989 1 674 . 1 1 51 51 LEU HD22 H 1 0.75 0.01 . 2 . . . . 51 LEU HD2 . 15989 1 675 . 1 1 51 51 LEU HD23 H 1 0.75 0.01 . 2 . . . . 51 LEU HD2 . 15989 1 676 . 1 1 51 51 LEU HG H 1 1.498 0.01 . 1 . . . . 51 LEU HG . 15989 1 677 . 1 1 51 51 LEU C C 13 177.686 0.1 . 1 . . . . 51 LEU C . 15989 1 678 . 1 1 51 51 LEU CA C 13 55.219 0.1 . 1 . . . . 51 LEU CA . 15989 1 679 . 1 1 51 51 LEU CB C 13 41.883 0.1 . 1 . . . . 51 LEU CB . 15989 1 680 . 1 1 51 51 LEU CD1 C 13 22.837 0.1 . 2 . . . . 51 LEU CD1 . 15989 1 681 . 1 1 51 51 LEU CD2 C 13 24.95 0.1 . 2 . . . . 51 LEU CD2 . 15989 1 682 . 1 1 51 51 LEU CG C 13 26.5 0.1 . 1 . . . . 51 LEU CG . 15989 1 683 . 1 1 51 51 LEU N N 15 118.197 0.1 . 1 . . . . 51 LEU N . 15989 1 684 . 1 1 52 52 ARG H H 1 8.013 0.1 . 1 . . . . 52 ARG H . 15989 1 685 . 1 1 52 52 ARG HA H 1 4.334 0.1 . 1 . . . . 52 ARG HA . 15989 1 686 . 1 1 52 52 ARG HB2 H 1 1.68 0.1 . 2 . . . . 52 ARG HB2 . 15989 1 687 . 1 1 52 52 ARG HB3 H 1 1.88 0.1 . 2 . . . . 52 ARG HB3 . 15989 1 688 . 1 1 52 52 ARG HD2 H 1 2.991 0.1 . 2 . . . . 52 ARG HD2 . 15989 1 689 . 1 1 52 52 ARG HD3 H 1 2.991 0.1 . 2 . . . . 52 ARG HD3 . 15989 1 690 . 1 1 52 52 ARG HG2 H 1 1.633 0.1 . 2 . . . . 52 ARG HG2 . 15989 1 691 . 1 1 52 52 ARG HG3 H 1 1.53 0.1 . 2 . . . . 52 ARG HG3 . 15989 1 692 . 1 1 52 52 ARG C C 13 176.658 0.1 . 1 . . . . 52 ARG C . 15989 1 693 . 1 1 52 52 ARG CA C 13 55.923 0.1 . 1 . . . . 52 ARG CA . 15989 1 694 . 1 1 52 52 ARG CB C 13 31.086 0.1 . 1 . . . . 52 ARG CB . 15989 1 695 . 1 1 52 52 ARG CD C 13 43.21 0.1 . 1 . . . . 52 ARG CD . 15989 1 696 . 1 1 52 52 ARG CG C 13 27.273 0.1 . 1 . . . . 52 ARG CG . 15989 1 697 . 1 1 52 52 ARG N N 15 119.899 0.1 . 1 . . . . 52 ARG N . 15989 1 698 . 1 1 53 53 THR H H 1 8.187 0.1 . 1 . . . . 53 THR H . 15989 1 699 . 1 1 53 53 THR HA H 1 4.345 0.1 . 1 . . . . 53 THR HA . 15989 1 700 . 1 1 53 53 THR HB H 1 4.263 0.1 . 1 . . . . 53 THR HB . 15989 1 701 . 1 1 53 53 THR HG21 H 1 1.137 0.1 . 1 . . . . 53 THR HG2 . 15989 1 702 . 1 1 53 53 THR HG22 H 1 1.137 0.1 . 1 . . . . 53 THR HG2 . 15989 1 703 . 1 1 53 53 THR HG23 H 1 1.137 0.1 . 1 . . . . 53 THR HG2 . 15989 1 704 . 1 1 53 53 THR C C 13 173.892 0.1 . 1 . . . . 53 THR C . 15989 1 705 . 1 1 53 53 THR CA C 13 60.611 0.1 . 1 . . . . 53 THR CA . 15989 1 706 . 1 1 53 53 THR CB C 13 69.514 0.1 . 1 . . . . 53 THR CB . 15989 1 707 . 1 1 53 53 THR CG2 C 13 21.426 0.1 . 1 . . . . 53 THR CG2 . 15989 1 708 . 1 1 53 53 THR N N 15 113.907 0.1 . 1 . . . . 53 THR N . 15989 1 709 . 1 1 54 54 ASP H H 1 8.43 0.1 . 1 . . . . 54 ASP H . 15989 1 710 . 1 1 54 54 ASP HA H 1 4.81 0.1 . 1 . . . . 54 ASP HA . 15989 1 711 . 1 1 54 54 ASP HB2 H 1 2.684 0.1 . 2 . . . . 54 ASP HB2 . 15989 1 712 . 1 1 54 54 ASP HB3 H 1 2.471 0.1 . 2 . . . . 54 ASP HB3 . 15989 1 713 . 1 1 54 54 ASP C C 13 174.082 0.1 . 1 . . . . 54 ASP C . 15989 1 714 . 1 1 54 54 ASP CA C 13 52.578 0.1 . 1 . . . . 54 ASP CA . 15989 1 715 . 1 1 54 54 ASP CB C 13 39.685 0.1 . 1 . . . . 54 ASP CB . 15989 1 716 . 1 1 54 54 ASP N N 15 123.174 0.1 . 1 . . . . 54 ASP N . 15989 1 717 . 1 1 55 55 PRO HA H 1 4.561 0.1 . 1 . . . . 55 PRO HA . 15989 1 718 . 1 1 55 55 PRO HB2 H 1 1.867 0.1 . 2 . . . . 55 PRO HB2 . 15989 1 719 . 1 1 55 55 PRO HB3 H 1 2.344 0.1 . 2 . . . . 55 PRO HB3 . 15989 1 720 . 1 1 55 55 PRO HD2 H 1 3.815 0.1 . 2 . . . . 55 PRO HD2 . 15989 1 721 . 1 1 55 55 PRO HD3 H 1 3.669 0.1 . 2 . . . . 55 PRO HD3 . 15989 1 722 . 1 1 55 55 PRO HG2 H 1 2.015 0.1 . 2 . . . . 55 PRO HG2 . 15989 1 723 . 1 1 55 55 PRO HG3 H 1 2.015 0.1 . 2 . . . . 55 PRO HG3 . 15989 1 724 . 1 1 55 55 PRO C C 13 177.127 0.1 . 1 . . . . 55 PRO C . 15989 1 725 . 1 1 55 55 PRO CA C 13 62.958 0.1 . 1 . . . . 55 PRO CA . 15989 1 726 . 1 1 55 55 PRO CB C 13 32.013 0.1 . 1 . . . . 55 PRO CB . 15989 1 727 . 1 1 55 55 PRO CD C 13 50.715 0.1 . 1 . . . . 55 PRO CD . 15989 1 728 . 1 1 55 55 PRO CG C 13 27.483 0.1 . 1 . . . . 55 PRO CG . 15989 1 729 . 1 1 56 56 TRP H H 1 8.721 0.1 . 1 . . . . 56 TRP H . 15989 1 730 . 1 1 56 56 TRP HA H 1 4.351 0.1 . 1 . . . . 56 TRP HA . 15989 1 731 . 1 1 56 56 TRP HB2 H 1 3.223 0.1 . 2 . . . . 56 TRP HB2 . 15989 1 732 . 1 1 56 56 TRP HB3 H 1 2.842 0.1 . 2 . . . . 56 TRP HB3 . 15989 1 733 . 1 1 56 56 TRP HD1 H 1 7.3 0.1 . 1 . . . . 56 TRP HD1 . 15989 1 734 . 1 1 56 56 TRP HE1 H 1 10.124 0.1 . 1 . . . . 56 TRP HE1 . 15989 1 735 . 1 1 56 56 TRP HE3 H 1 7.64 0.1 . 1 . . . . 56 TRP HE3 . 15989 1 736 . 1 1 56 56 TRP HH2 H 1 6.986 0.1 . 1 . . . . 56 TRP HH2 . 15989 1 737 . 1 1 56 56 TRP HZ2 H 1 7.156 0.1 . 1 . . . . 56 TRP HZ2 . 15989 1 738 . 1 1 56 56 TRP HZ3 H 1 7.033 0.1 . 1 . . . . 56 TRP HZ3 . 15989 1 739 . 1 1 56 56 TRP C C 13 177.127 0.1 . 1 . . . . 56 TRP C . 15989 1 740 . 1 1 56 56 TRP CA C 13 57.796 0.1 . 1 . . . . 56 TRP CA . 15989 1 741 . 1 1 56 56 TRP CB C 13 28.732 0.1 . 1 . . . . 56 TRP CB . 15989 1 742 . 1 1 56 56 TRP CD1 C 13 126.03 0.1 . 1 . . . . 56 TRP CD1 . 15989 1 743 . 1 1 56 56 TRP CE3 C 13 123.32 0.1 . 1 . . . . 56 TRP CE3 . 15989 1 744 . 1 1 56 56 TRP CH2 C 13 123.96 0.1 . 1 . . . . 56 TRP CH2 . 15989 1 745 . 1 1 56 56 TRP CZ2 C 13 113.51 0.1 . 1 . . . . 56 TRP CZ2 . 15989 1 746 . 1 1 56 56 TRP CZ3 C 13 121.68 0.1 . 1 . . . . 56 TRP CZ3 . 15989 1 747 . 1 1 56 56 TRP N N 15 124.713 0.1 . 1 . . . . 56 TRP N . 15989 1 748 . 1 1 56 56 TRP NE1 N 15 129.67 0.1 . 1 . . . . 56 TRP NE1 . 15989 1 749 . 1 1 57 57 SER H H 1 9.085 0.1 . 1 . . . . 57 SER H . 15989 1 750 . 1 1 57 57 SER HA H 1 4.957 0.1 . 1 . . . . 57 SER HA . 15989 1 751 . 1 1 57 57 SER HB2 H 1 4.46 0.1 . 2 . . . . 57 SER HB2 . 15989 1 752 . 1 1 57 57 SER HB3 H 1 4.05 0.1 . 2 . . . . 57 SER HB3 . 15989 1 753 . 1 1 57 57 SER C C 13 173.562 0.1 . 1 . . . . 57 SER C . 15989 1 754 . 1 1 57 57 SER CA C 13 55.852 0.1 . 1 . . . . 57 SER CA . 15989 1 755 . 1 1 57 57 SER CB C 13 63.824 0.1 . 1 . . . . 57 SER CB . 15989 1 756 . 1 1 57 57 SER N N 15 122.041 0.1 . 1 . . . . 57 SER N . 15989 1 757 . 1 1 58 58 PRO HA H 1 4.444 0.1 . 1 . . . . 58 PRO HA . 15989 1 758 . 1 1 58 58 PRO HB2 H 1 1.937 0.1 . 2 . . . . 58 PRO HB2 . 15989 1 759 . 1 1 58 58 PRO HB3 H 1 2.434 0.1 . 2 . . . . 58 PRO HB3 . 15989 1 760 . 1 1 58 58 PRO HD2 H 1 3.93 0.1 . 2 . . . . 58 PRO HD2 . 15989 1 761 . 1 1 58 58 PRO HD3 H 1 3.917 0.1 . 2 . . . . 58 PRO HD3 . 15989 1 762 . 1 1 58 58 PRO HG2 H 1 2.232 0.1 . 2 . . . . 58 PRO HG2 . 15989 1 763 . 1 1 58 58 PRO HG3 H 1 2.077 0.1 . 2 . . . . 58 PRO HG3 . 15989 1 764 . 1 1 58 58 PRO C C 13 179.777 0.1 . 1 . . . . 58 PRO C . 15989 1 765 . 1 1 58 58 PRO CA C 13 65.071 0.1 . 1 . . . . 58 PRO CA . 15989 1 766 . 1 1 58 58 PRO CB C 13 31.546 0.1 . 1 . . . . 58 PRO CB . 15989 1 767 . 1 1 58 58 PRO CD C 13 50.255 0.1 . 1 . . . . 58 PRO CD . 15989 1 768 . 1 1 58 58 PRO CG C 13 27.977 0.1 . 1 . . . . 58 PRO CG . 15989 1 769 . 1 1 59 59 GLU H H 1 8.788 0.01 . 1 . . . . 59 GLU H . 15989 1 770 . 1 1 59 59 GLU HA H 1 4.088 0.01 . 1 . . . . 59 GLU HA . 15989 1 771 . 1 1 59 59 GLU HB2 H 1 1.995 0.01 . 2 . . . . 59 GLU HB2 . 15989 1 772 . 1 1 59 59 GLU HB3 H 1 2.08 0.01 . 2 . . . . 59 GLU HB3 . 15989 1 773 . 1 1 59 59 GLU HG2 H 1 2.465 0.01 . 2 . . . . 59 GLU HG2 . 15989 1 774 . 1 1 59 59 GLU HG3 H 1 2.287 0.01 . 2 . . . . 59 GLU HG3 . 15989 1 775 . 1 1 59 59 GLU C C 13 179.656 0.1 . 1 . . . . 59 GLU C . 15989 1 776 . 1 1 59 59 GLU CA C 13 60.373 0.1 . 1 . . . . 59 GLU CA . 15989 1 777 . 1 1 59 59 GLU CB C 13 28.505 0.1 . 1 . . . . 59 GLU CB . 15989 1 778 . 1 1 59 59 GLU CG C 13 36.914 0.1 . 1 . . . . 59 GLU CG . 15989 1 779 . 1 1 59 59 GLU N N 15 117.546 0.1 . 1 . . . . 59 GLU N . 15989 1 780 . 1 1 60 60 GLU H H 1 7.977 0.01 . 1 . . . . 60 GLU H . 15989 1 781 . 1 1 60 60 GLU HA H 1 4.015 0.01 . 1 . . . . 60 GLU HA . 15989 1 782 . 1 1 60 60 GLU HB2 H 1 2.262 0.01 . 2 . . . . 60 GLU HB2 . 15989 1 783 . 1 1 60 60 GLU HB3 H 1 2.549 0.01 . 2 . . . . 60 GLU HB3 . 15989 1 784 . 1 1 60 60 GLU HG2 H 1 2.411 0.01 . 2 . . . . 60 GLU HG2 . 15989 1 785 . 1 1 60 60 GLU HG3 H 1 1.94 0.01 . 2 . . . . 60 GLU HG3 . 15989 1 786 . 1 1 60 60 GLU C C 13 178.44 0.1 . 1 . . . . 60 GLU C . 15989 1 787 . 1 1 60 60 GLU CA C 13 59.913 0.1 . 1 . . . . 60 GLU CA . 15989 1 788 . 1 1 60 60 GLU CB C 13 31.541 0.1 . 1 . . . . 60 GLU CB . 15989 1 789 . 1 1 60 60 GLU CG C 13 38.532 0.1 . 1 . . . . 60 GLU CG . 15989 1 790 . 1 1 60 60 GLU N N 15 122.264 0.1 . 1 . . . . 60 GLU N . 15989 1 791 . 1 1 61 61 ASP H H 1 8.267 0.1 . 1 . . . . 61 ASP H . 15989 1 792 . 1 1 61 61 ASP HA H 1 4.654 0.1 . 1 . . . . 61 ASP HA . 15989 1 793 . 1 1 61 61 ASP HB2 H 1 2.564 0.1 . 2 . . . . 61 ASP HB2 . 15989 1 794 . 1 1 61 61 ASP HB3 H 1 2.783 0.1 . 2 . . . . 61 ASP HB3 . 15989 1 795 . 1 1 61 61 ASP C C 13 179.469 0.1 . 1 . . . . 61 ASP C . 15989 1 796 . 1 1 61 61 ASP CA C 13 57.562 0.1 . 1 . . . . 61 ASP CA . 15989 1 797 . 1 1 61 61 ASP CB C 13 39.987 0.1 . 1 . . . . 61 ASP CB . 15989 1 798 . 1 1 61 61 ASP N N 15 120.543 0.1 . 1 . . . . 61 ASP N . 15989 1 799 . 1 1 62 62 MET H H 1 8.139 0.1 . 1 . . . . 62 MET H . 15989 1 800 . 1 1 62 62 MET HA H 1 4.284 0.1 . 1 . . . . 62 MET HA . 15989 1 801 . 1 1 62 62 MET HB2 H 1 2.188 0.1 . 2 . . . . 62 MET HB2 . 15989 1 802 . 1 1 62 62 MET HB3 H 1 2.188 0.1 . 2 . . . . 62 MET HB3 . 15989 1 803 . 1 1 62 62 MET HG2 H 1 2.604 0.1 . 2 . . . . 62 MET HG2 . 15989 1 804 . 1 1 62 62 MET HG3 H 1 2.738 0.1 . 2 . . . . 62 MET HG3 . 15989 1 805 . 1 1 62 62 MET C C 13 178.811 0.1 . 1 . . . . 62 MET C . 15989 1 806 . 1 1 62 62 MET CA C 13 58.505 0.1 . 1 . . . . 62 MET CA . 15989 1 807 . 1 1 62 62 MET CB C 13 32.251 0.1 . 1 . . . . 62 MET CB . 15989 1 808 . 1 1 62 62 MET CG C 13 31.765 0.1 . 1 . . . . 62 MET CG . 15989 1 809 . 1 1 62 62 MET N N 15 119.343 0.1 . 1 . . . . 62 MET N . 15989 1 810 . 1 1 63 63 LEU H H 1 7.959 0.01 . 1 . . . . 63 LEU H . 15989 1 811 . 1 1 63 63 LEU HA H 1 4.212 0.01 . 1 . . . . 63 LEU HA . 15989 1 812 . 1 1 63 63 LEU HB2 H 1 1.857 0.01 . 2 . . . . 63 LEU HB2 . 15989 1 813 . 1 1 63 63 LEU HB3 H 1 1.857 0.01 . 2 . . . . 63 LEU HB3 . 15989 1 814 . 1 1 63 63 LEU HD11 H 1 1.026 0.01 . 2 . . . . 63 LEU HD1 . 15989 1 815 . 1 1 63 63 LEU HD12 H 1 1.026 0.01 . 2 . . . . 63 LEU HD1 . 15989 1 816 . 1 1 63 63 LEU HD13 H 1 1.026 0.01 . 2 . . . . 63 LEU HD1 . 15989 1 817 . 1 1 63 63 LEU HD21 H 1 1.026 0.01 . 2 . . . . 63 LEU HD2 . 15989 1 818 . 1 1 63 63 LEU HD22 H 1 1.026 0.01 . 2 . . . . 63 LEU HD2 . 15989 1 819 . 1 1 63 63 LEU HD23 H 1 1.026 0.01 . 2 . . . . 63 LEU HD2 . 15989 1 820 . 1 1 63 63 LEU HG H 1 1.705 0.01 . 1 . . . . 63 LEU HG . 15989 1 821 . 1 1 63 63 LEU C C 13 177.642 0.1 . 1 . . . . 63 LEU C . 15989 1 822 . 1 1 63 63 LEU CA C 13 57.562 0.1 . 1 . . . . 63 LEU CA . 15989 1 823 . 1 1 63 63 LEU CB C 13 42.096 0.1 . 1 . . . . 63 LEU CB . 15989 1 824 . 1 1 63 63 LEU CD1 C 13 24.938 0.1 . 2 . . . . 63 LEU CD1 . 15989 1 825 . 1 1 63 63 LEU CD2 C 13 24.938 0.1 . 2 . . . . 63 LEU CD2 . 15989 1 826 . 1 1 63 63 LEU CG C 13 27.28 0.1 . 1 . . . . 63 LEU CG . 15989 1 827 . 1 1 63 63 LEU N N 15 122.676 0.1 . 1 . . . . 63 LEU N . 15989 1 828 . 1 1 64 64 LEU H H 1 8.784 0.01 . 1 . . . . 64 LEU H . 15989 1 829 . 1 1 64 64 LEU HA H 1 4.119 0.01 . 1 . . . . 64 LEU HA . 15989 1 830 . 1 1 64 64 LEU HB2 H 1 1.96 0.01 . 2 . . . . 64 LEU HB2 . 15989 1 831 . 1 1 64 64 LEU HB3 H 1 2.507 0.01 . 2 . . . . 64 LEU HB3 . 15989 1 832 . 1 1 64 64 LEU HD11 H 1 0.99 0.01 . 2 . . . . 64 LEU HD1 . 15989 1 833 . 1 1 64 64 LEU HD12 H 1 0.99 0.01 . 2 . . . . 64 LEU HD1 . 15989 1 834 . 1 1 64 64 LEU HD13 H 1 0.99 0.01 . 2 . . . . 64 LEU HD1 . 15989 1 835 . 1 1 64 64 LEU HD21 H 1 0.99 0.01 . 2 . . . . 64 LEU HD2 . 15989 1 836 . 1 1 64 64 LEU HD22 H 1 0.99 0.01 . 2 . . . . 64 LEU HD2 . 15989 1 837 . 1 1 64 64 LEU HD23 H 1 0.99 0.01 . 2 . . . . 64 LEU HD2 . 15989 1 838 . 1 1 64 64 LEU HG H 1 1.47 0.01 . 1 . . . . 64 LEU HG . 15989 1 839 . 1 1 64 64 LEU C C 13 177.515 0.1 . 1 . . . . 64 LEU C . 15989 1 840 . 1 1 64 64 LEU CA C 13 58.738 0.1 . 1 . . . . 64 LEU CA . 15989 1 841 . 1 1 64 64 LEU CB C 13 41.395 0.1 . 1 . . . . 64 LEU CB . 15989 1 842 . 1 1 64 64 LEU CD1 C 13 26.112 0.1 . 2 . . . . 64 LEU CD1 . 15989 1 843 . 1 1 64 64 LEU CD2 C 13 26.112 0.1 . 2 . . . . 64 LEU CD2 . 15989 1 844 . 1 1 64 64 LEU CG C 13 27.992 0.1 . 1 . . . . 64 LEU CG . 15989 1 845 . 1 1 64 64 LEU N N 15 120.877 0.1 . 1 . . . . 64 LEU N . 15989 1 846 . 1 1 65 65 ASP H H 1 8.085 0.1 . 1 . . . . 65 ASP H . 15989 1 847 . 1 1 65 65 ASP HA H 1 4.63 0.1 . 1 . . . . 65 ASP HA . 15989 1 848 . 1 1 65 65 ASP HB2 H 1 2.915 0.1 . 2 . . . . 65 ASP HB2 . 15989 1 849 . 1 1 65 65 ASP HB3 H 1 2.915 0.1 . 2 . . . . 65 ASP HB3 . 15989 1 850 . 1 1 65 65 ASP C C 13 179.391 0.1 . 1 . . . . 65 ASP C . 15989 1 851 . 1 1 65 65 ASP CA C 13 57.566 0.1 . 1 . . . . 65 ASP CA . 15989 1 852 . 1 1 65 65 ASP CB C 13 41.626 0.1 . 1 . . . . 65 ASP CB . 15989 1 853 . 1 1 65 65 ASP N N 15 118.583 0.1 . 1 . . . . 65 ASP N . 15989 1 854 . 1 1 66 66 GLN H H 1 8.336 0.01 . 1 . . . . 66 GLN H . 15989 1 855 . 1 1 66 66 GLN HA H 1 4.05 0.01 . 1 . . . . 66 GLN HA . 15989 1 856 . 1 1 66 66 GLN HB2 H 1 2.1 0.01 . 2 . . . . 66 GLN HB2 . 15989 1 857 . 1 1 66 66 GLN HB3 H 1 2.296 0.01 . 2 . . . . 66 GLN HB3 . 15989 1 858 . 1 1 66 66 GLN HE21 H 1 7.47 0.01 . 2 . . . . 66 GLN HE21 . 15989 1 859 . 1 1 66 66 GLN HE22 H 1 6.733 0.01 . 2 . . . . 66 GLN HE22 . 15989 1 860 . 1 1 66 66 GLN HG2 H 1 2.43 0.01 . 2 . . . . 66 GLN HG2 . 15989 1 861 . 1 1 66 66 GLN HG3 H 1 2.677 0.01 . 2 . . . . 66 GLN HG3 . 15989 1 862 . 1 1 66 66 GLN C C 13 179.565 0.1 . 1 . . . . 66 GLN C . 15989 1 863 . 1 1 66 66 GLN CA C 13 58.739 0.1 . 1 . . . . 66 GLN CA . 15989 1 864 . 1 1 66 66 GLN CB C 13 28.502 0.1 . 1 . . . . 66 GLN CB . 15989 1 865 . 1 1 66 66 GLN CG C 13 33.846 0.1 . 1 . . . . 66 GLN CG . 15989 1 866 . 1 1 66 66 GLN N N 15 118.725 0.1 . 1 . . . . 66 GLN N . 15989 1 867 . 1 1 66 66 GLN NE2 N 15 111 0.1 . 1 . . . . 66 GLN NE2 . 15989 1 868 . 1 1 67 67 LYS H H 1 9.126 0.01 . 1 . . . . 67 LYS H . 15989 1 869 . 1 1 67 67 LYS HA H 1 4.142 0.01 . 1 . . . . 67 LYS HA . 15989 1 870 . 1 1 67 67 LYS HB2 H 1 1.728 0.01 . 2 . . . . 67 LYS HB2 . 15989 1 871 . 1 1 67 67 LYS HB3 H 1 2.152 0.01 . 2 . . . . 67 LYS HB3 . 15989 1 872 . 1 1 67 67 LYS HD2 H 1 1.735 0.01 . 2 . . . . 67 LYS HD2 . 15989 1 873 . 1 1 67 67 LYS HD3 H 1 1.735 0.01 . 2 . . . . 67 LYS HD3 . 15989 1 874 . 1 1 67 67 LYS HE2 H 1 2.93 0.01 . 2 . . . . 67 LYS HE2 . 15989 1 875 . 1 1 67 67 LYS HE3 H 1 2.93 0.01 . 2 . . . . 67 LYS HE3 . 15989 1 876 . 1 1 67 67 LYS HG2 H 1 1.42 0.01 . 2 . . . . 67 LYS HG2 . 15989 1 877 . 1 1 67 67 LYS HG3 H 1 1.284 0.01 . 2 . . . . 67 LYS HG3 . 15989 1 878 . 1 1 67 67 LYS C C 13 178.671 0.1 . 1 . . . . 67 LYS C . 15989 1 879 . 1 1 67 67 LYS CA C 13 56.156 0.1 . 1 . . . . 67 LYS CA . 15989 1 880 . 1 1 67 67 LYS CB C 13 31.55 0.1 . 1 . . . . 67 LYS CB . 15989 1 881 . 1 1 67 67 LYS CD C 13 27.284 0.1 . 1 . . . . 67 LYS CD . 15989 1 882 . 1 1 67 67 LYS CE C 13 41.584 0.1 . 1 . . . . 67 LYS CE . 15989 1 883 . 1 1 67 67 LYS CG C 13 24.006 0.1 . 1 . . . . 67 LYS CG . 15989 1 884 . 1 1 67 67 LYS N N 15 117.22 0.1 . 1 . . . . 67 LYS N . 15989 1 885 . 1 1 68 68 TYR H H 1 9.361 0.1 . 1 . . . . 68 TYR H . 15989 1 886 . 1 1 68 68 TYR HA H 1 3.819 0.1 . 1 . . . . 68 TYR HA . 15989 1 887 . 1 1 68 68 TYR HB2 H 1 2.567 0.1 . 2 . . . . 68 TYR HB2 . 15989 1 888 . 1 1 68 68 TYR HB3 H 1 2.567 0.1 . 2 . . . . 68 TYR HB3 . 15989 1 889 . 1 1 68 68 TYR HD1 H 1 6.267 0.1 . 3 . . . . 68 TYR HD1 . 15989 1 890 . 1 1 68 68 TYR HD2 H 1 6.267 0.1 . 3 . . . . 68 TYR HD2 . 15989 1 891 . 1 1 68 68 TYR HE1 H 1 6.058 0.1 . 3 . . . . 68 TYR HE1 . 15989 1 892 . 1 1 68 68 TYR HE2 H 1 6.058 0.1 . 3 . . . . 68 TYR HE2 . 15989 1 893 . 1 1 68 68 TYR C C 13 179.235 0.1 . 1 . . . . 68 TYR C . 15989 1 894 . 1 1 68 68 TYR CA C 13 61.547 0.1 . 1 . . . . 68 TYR CA . 15989 1 895 . 1 1 68 68 TYR CB C 13 37.881 0.1 . 1 . . . . 68 TYR CB . 15989 1 896 . 1 1 68 68 TYR CD1 C 13 133.06 0.1 . 3 . . . . 68 TYR CD1 . 15989 1 897 . 1 1 68 68 TYR CD2 C 13 133.06 0.1 . 3 . . . . 68 TYR CD2 . 15989 1 898 . 1 1 68 68 TYR CE1 C 13 117.19 0.1 . 3 . . . . 68 TYR CE1 . 15989 1 899 . 1 1 68 68 TYR CE2 C 13 117.19 0.1 . 3 . . . . 68 TYR CE2 . 15989 1 900 . 1 1 68 68 TYR N N 15 123.884 0.1 . 1 . . . . 68 TYR N . 15989 1 901 . 1 1 69 69 ALA H H 1 7.81 0.1 . 1 . . . . 69 ALA H . 15989 1 902 . 1 1 69 69 ALA HA H 1 3.98 0.1 . 1 . . . . 69 ALA HA . 15989 1 903 . 1 1 69 69 ALA HB1 H 1 1.521 0.1 . 1 . . . . 69 ALA HB . 15989 1 904 . 1 1 69 69 ALA HB2 H 1 1.521 0.1 . 1 . . . . 69 ALA HB . 15989 1 905 . 1 1 69 69 ALA HB3 H 1 1.521 0.1 . 1 . . . . 69 ALA HB . 15989 1 906 . 1 1 69 69 ALA C C 13 178.673 0.1 . 1 . . . . 69 ALA C . 15989 1 907 . 1 1 69 69 ALA CA C 13 54.755 0.1 . 1 . . . . 69 ALA CA . 15989 1 908 . 1 1 69 69 ALA CB C 13 17.253 0.1 . 1 . . . . 69 ALA CB . 15989 1 909 . 1 1 69 69 ALA N N 15 121.733 0.1 . 1 . . . . 69 ALA N . 15989 1 910 . 1 1 70 70 GLU H H 1 7.091 0.01 . 1 . . . . 70 GLU H . 15989 1 911 . 1 1 70 70 GLU HA H 1 3.848 0.01 . 1 . . . . 70 GLU HA . 15989 1 912 . 1 1 70 70 GLU HB2 H 1 1.357 0.01 . 2 . . . . 70 GLU HB2 . 15989 1 913 . 1 1 70 70 GLU HB3 H 1 1.607 0.01 . 2 . . . . 70 GLU HB3 . 15989 1 914 . 1 1 70 70 GLU HG2 H 1 1.436 0.01 . 2 . . . . 70 GLU HG2 . 15989 1 915 . 1 1 70 70 GLU HG3 H 1 1.969 0.01 . 2 . . . . 70 GLU HG3 . 15989 1 916 . 1 1 70 70 GLU C C 13 178.018 0.1 . 1 . . . . 70 GLU C . 15989 1 917 . 1 1 70 70 GLU CA C 13 58.566 0.1 . 1 . . . . 70 GLU CA . 15989 1 918 . 1 1 70 70 GLU CB C 13 30.609 0.1 . 1 . . . . 70 GLU CB . 15989 1 919 . 1 1 70 70 GLU CG C 13 35.03 0.1 . 1 . . . . 70 GLU CG . 15989 1 920 . 1 1 70 70 GLU N N 15 115.85 0.1 . 1 . . . . 70 GLU N . 15989 1 921 . 1 1 71 71 TYR H H 1 8.27 0.1 . 1 . . . . 71 TYR H . 15989 1 922 . 1 1 71 71 TYR HA H 1 4.537 0.1 . 1 . . . . 71 TYR HA . 15989 1 923 . 1 1 71 71 TYR HB2 H 1 2.656 0.1 . 2 . . . . 71 TYR HB2 . 15989 1 924 . 1 1 71 71 TYR HB3 H 1 2.885 0.1 . 2 . . . . 71 TYR HB3 . 15989 1 925 . 1 1 71 71 TYR HD1 H 1 7.043 0.1 . 3 . . . . 71 TYR HD1 . 15989 1 926 . 1 1 71 71 TYR HD2 H 1 7.043 0.1 . 3 . . . . 71 TYR HD2 . 15989 1 927 . 1 1 71 71 TYR HE1 H 1 6.67 0.1 . 3 . . . . 71 TYR HE1 . 15989 1 928 . 1 1 71 71 TYR HE2 H 1 6.67 0.1 . 3 . . . . 71 TYR HE2 . 15989 1 929 . 1 1 71 71 TYR C C 13 177.174 0.1 . 1 . . . . 71 TYR C . 15989 1 930 . 1 1 71 71 TYR CA C 13 57.796 0.1 . 1 . . . . 71 TYR CA . 15989 1 931 . 1 1 71 71 TYR CB C 13 40.219 0.1 . 1 . . . . 71 TYR CB . 15989 1 932 . 1 1 71 71 TYR CD1 C 13 132.46 0.1 . 3 . . . . 71 TYR CD1 . 15989 1 933 . 1 1 71 71 TYR CD2 C 13 132.46 0.1 . 3 . . . . 71 TYR CD2 . 15989 1 934 . 1 1 71 71 TYR CE1 C 13 118.14 0.1 . 3 . . . . 71 TYR CE1 . 15989 1 935 . 1 1 71 71 TYR CE2 C 13 118.14 0.1 . 3 . . . . 71 TYR CE2 . 15989 1 936 . 1 1 71 71 TYR N N 15 114.509 0.1 . 1 . . . . 71 TYR N . 15989 1 937 . 1 1 72 72 GLY H H 1 8.417 0.1 . 1 . . . . 72 GLY H . 15989 1 938 . 1 1 72 72 GLY HA2 H 1 3.72 0.1 . 2 . . . . 72 GLY HA2 . 15989 1 939 . 1 1 72 72 GLY HA3 H 1 2.255 0.1 . 2 . . . . 72 GLY HA3 . 15989 1 940 . 1 1 72 72 GLY C C 13 172.111 0.1 . 1 . . . . 72 GLY C . 15989 1 941 . 1 1 72 72 GLY CA C 13 43.439 0.1 . 1 . . . . 72 GLY CA . 15989 1 942 . 1 1 72 72 GLY N N 15 111.509 0.1 . 1 . . . . 72 GLY N . 15989 1 943 . 1 1 73 73 PRO HA H 1 2.587 0.1 . 1 . . . . 73 PRO HA . 15989 1 944 . 1 1 73 73 PRO HB2 H 1 1.565 0.1 . 2 . . . . 73 PRO HB2 . 15989 1 945 . 1 1 73 73 PRO HB3 H 1 2.093 0.1 . 2 . . . . 73 PRO HB3 . 15989 1 946 . 1 1 73 73 PRO HD2 H 1 3.41 0.1 . 2 . . . . 73 PRO HD2 . 15989 1 947 . 1 1 73 73 PRO HD3 H 1 2.914 0.1 . 2 . . . . 73 PRO HD3 . 15989 1 948 . 1 1 73 73 PRO HG2 H 1 1.926 0.1 . 2 . . . . 73 PRO HG2 . 15989 1 949 . 1 1 73 73 PRO HG3 H 1 1.527 0.1 . 2 . . . . 73 PRO HG3 . 15989 1 950 . 1 1 73 73 PRO C C 13 175.393 0.1 . 1 . . . . 73 PRO C . 15989 1 951 . 1 1 73 73 PRO CA C 13 62.018 0.1 . 1 . . . . 73 PRO CA . 15989 1 952 . 1 1 73 73 PRO CB C 13 28.033 0.1 . 1 . . . . 73 PRO CB . 15989 1 953 . 1 1 73 73 PRO CD C 13 48.851 0.1 . 1 . . . . 73 PRO CD . 15989 1 954 . 1 1 73 73 PRO CG C 13 26.823 0.1 . 1 . . . . 73 PRO CG . 15989 1 955 . 1 1 74 74 LYS H H 1 8.065 0.01 . 1 . . . . 74 LYS H . 15989 1 956 . 1 1 74 74 LYS HA H 1 4.259 0.01 . 1 . . . . 74 LYS HA . 15989 1 957 . 1 1 74 74 LYS HB2 H 1 1.264 0.01 . 2 . . . . 74 LYS HB2 . 15989 1 958 . 1 1 74 74 LYS HB3 H 1 1.581 0.01 . 2 . . . . 74 LYS HB3 . 15989 1 959 . 1 1 74 74 LYS HD2 H 1 1.634 0.01 . 2 . . . . 74 LYS HD2 . 15989 1 960 . 1 1 74 74 LYS HD3 H 1 1.634 0.01 . 2 . . . . 74 LYS HD3 . 15989 1 961 . 1 1 74 74 LYS HE2 H 1 2.913 0.01 . 2 . . . . 74 LYS HE2 . 15989 1 962 . 1 1 74 74 LYS HE3 H 1 2.913 0.01 . 2 . . . . 74 LYS HE3 . 15989 1 963 . 1 1 74 74 LYS HG2 H 1 1.078 0.01 . 2 . . . . 74 LYS HG2 . 15989 1 964 . 1 1 74 74 LYS HG3 H 1 1.078 0.01 . 2 . . . . 74 LYS HG3 . 15989 1 965 . 1 1 74 74 LYS C C 13 177.22 0.1 . 1 . . . . 74 LYS C . 15989 1 966 . 1 1 74 74 LYS CA C 13 52.641 0.1 . 1 . . . . 74 LYS CA . 15989 1 967 . 1 1 74 74 LYS CB C 13 30.145 0.1 . 1 . . . . 74 LYS CB . 15989 1 968 . 1 1 74 74 LYS CD C 13 29.155 0.1 . 1 . . . . 74 LYS CD . 15989 1 969 . 1 1 74 74 LYS CE C 13 42.061 0.1 . 1 . . . . 74 LYS CE . 15989 1 970 . 1 1 74 74 LYS CG C 13 24.244 0.1 . 1 . . . . 74 LYS CG . 15989 1 971 . 1 1 74 74 LYS N N 15 125.996 0.1 . 1 . . . . 74 LYS N . 15989 1 972 . 1 1 75 75 TRP H H 1 6.735 0.1 . 1 . . . . 75 TRP H . 15989 1 973 . 1 1 75 75 TRP HA H 1 4.305 0.1 . 1 . . . . 75 TRP HA . 15989 1 974 . 1 1 75 75 TRP HB2 H 1 3.075 0.1 . 2 . . . . 75 TRP HB2 . 15989 1 975 . 1 1 75 75 TRP HB3 H 1 3.55 0.1 . 2 . . . . 75 TRP HB3 . 15989 1 976 . 1 1 75 75 TRP HD1 H 1 7.46 0.1 . 1 . . . . 75 TRP HD1 . 15989 1 977 . 1 1 75 75 TRP HE1 H 1 10.51 0.1 . 1 . . . . 75 TRP HE1 . 15989 1 978 . 1 1 75 75 TRP HE3 H 1 7.38 0.1 . 1 . . . . 75 TRP HE3 . 15989 1 979 . 1 1 75 75 TRP HH2 H 1 6.845 0.1 . 1 . . . . 75 TRP HH2 . 15989 1 980 . 1 1 75 75 TRP HZ2 H 1 7.41 0.1 . 1 . . . . 75 TRP HZ2 . 15989 1 981 . 1 1 75 75 TRP HZ3 H 1 6.728 0.1 . 1 . . . . 75 TRP HZ3 . 15989 1 982 . 1 1 75 75 TRP C C 13 177.174 0.1 . 1 . . . . 75 TRP C . 15989 1 983 . 1 1 75 75 TRP CA C 13 58.969 0.1 . 1 . . . . 75 TRP CA . 15989 1 984 . 1 1 75 75 TRP CB C 13 29.668 0.1 . 1 . . . . 75 TRP CB . 15989 1 985 . 1 1 75 75 TRP CD1 C 13 129.03 0.1 . 1 . . . . 75 TRP CD1 . 15989 1 986 . 1 1 75 75 TRP CE3 C 13 121.68 0.1 . 1 . . . . 75 TRP CE3 . 15989 1 987 . 1 1 75 75 TRP CH2 C 13 125.41 0.1 . 1 . . . . 75 TRP CH2 . 15989 1 988 . 1 1 75 75 TRP CZ2 C 13 115.23 0.1 . 1 . . . . 75 TRP CZ2 . 15989 1 989 . 1 1 75 75 TRP CZ3 C 13 120.08 0.1 . 1 . . . . 75 TRP CZ3 . 15989 1 990 . 1 1 75 75 TRP N N 15 122.056 0.1 . 1 . . . . 75 TRP N . 15989 1 991 . 1 1 75 75 TRP NE1 N 15 130.463 0.1 . 1 . . . . 75 TRP NE1 . 15989 1 992 . 1 1 76 76 ASN H H 1 8.732 0.1 . 1 . . . . 76 ASN H . 15989 1 993 . 1 1 76 76 ASN HA H 1 4.606 0.1 . 1 . . . . 76 ASN HA . 15989 1 994 . 1 1 76 76 ASN HB2 H 1 2.773 0.1 . 2 . . . . 76 ASN HB2 . 15989 1 995 . 1 1 76 76 ASN HB3 H 1 3.004 0.1 . 2 . . . . 76 ASN HB3 . 15989 1 996 . 1 1 76 76 ASN HD21 H 1 8.207 0.1 . 2 . . . . 76 ASN HD21 . 15989 1 997 . 1 1 76 76 ASN HD22 H 1 6.915 0.1 . 2 . . . . 76 ASN HD22 . 15989 1 998 . 1 1 76 76 ASN C C 13 177.83 0.1 . 1 . . . . 76 ASN C . 15989 1 999 . 1 1 76 76 ASN CA C 13 55.925 0.1 . 1 . . . . 76 ASN CA . 15989 1 1000 . 1 1 76 76 ASN CB C 13 37.876 0.1 . 1 . . . . 76 ASN CB . 15989 1 1001 . 1 1 76 76 ASN N N 15 114.266 0.1 . 1 . . . . 76 ASN N . 15989 1 1002 . 1 1 76 76 ASN ND2 N 15 114 0.1 . 1 . . . . 76 ASN ND2 . 15989 1 1003 . 1 1 77 77 LYS H H 1 7.401 0.01 . 1 . . . . 77 LYS H . 15989 1 1004 . 1 1 77 77 LYS HA H 1 3.979 0.01 . 1 . . . . 77 LYS HA . 15989 1 1005 . 1 1 77 77 LYS HB2 H 1 1.139 0.01 . 2 . . . . 77 LYS HB2 . 15989 1 1006 . 1 1 77 77 LYS HB3 H 1 1.495 0.01 . 2 . . . . 77 LYS HB3 . 15989 1 1007 . 1 1 77 77 LYS HD2 H 1 1.666 0.01 . 2 . . . . 77 LYS HD2 . 15989 1 1008 . 1 1 77 77 LYS HD3 H 1 1.666 0.01 . 2 . . . . 77 LYS HD3 . 15989 1 1009 . 1 1 77 77 LYS HE2 H 1 2.848 0.01 . 2 . . . . 77 LYS HE2 . 15989 1 1010 . 1 1 77 77 LYS HE3 H 1 2.848 0.01 . 2 . . . . 77 LYS HE3 . 15989 1 1011 . 1 1 77 77 LYS HG2 H 1 1.032 0.01 . 2 . . . . 77 LYS HG2 . 15989 1 1012 . 1 1 77 77 LYS HG3 H 1 1.161 0.01 . 2 . . . . 77 LYS HG3 . 15989 1 1013 . 1 1 77 77 LYS C C 13 178.859 0.1 . 1 . . . . 77 LYS C . 15989 1 1014 . 1 1 77 77 LYS CA C 13 57.8 0.1 . 1 . . . . 77 LYS CA . 15989 1 1015 . 1 1 77 77 LYS CB C 13 31.545 0.1 . 1 . . . . 77 LYS CB . 15989 1 1016 . 1 1 77 77 LYS CD C 13 28.693 0.1 . 1 . . . . 77 LYS CD . 15989 1 1017 . 1 1 77 77 LYS CE C 13 41.583 0.1 . 1 . . . . 77 LYS CE . 15989 1 1018 . 1 1 77 77 LYS CG C 13 24.712 0.1 . 1 . . . . 77 LYS CG . 15989 1 1019 . 1 1 77 77 LYS N N 15 120.857 0.1 . 1 . . . . 77 LYS N . 15989 1 1020 . 1 1 78 78 ILE H H 1 7.754 0.1 . 1 . . . . 78 ILE H . 15989 1 1021 . 1 1 78 78 ILE HA H 1 3.679 0.1 . 1 . . . . 78 ILE HA . 15989 1 1022 . 1 1 78 78 ILE HB H 1 2.053 0.1 . 1 . . . . 78 ILE HB . 15989 1 1023 . 1 1 78 78 ILE HD11 H 1 0.890 0.1 . 1 . . . . 78 ILE HD1 . 15989 1 1024 . 1 1 78 78 ILE HD12 H 1 0.890 0.1 . 1 . . . . 78 ILE HD1 . 15989 1 1025 . 1 1 78 78 ILE HD13 H 1 0.890 0.1 . 1 . . . . 78 ILE HD1 . 15989 1 1026 . 1 1 78 78 ILE HG12 H 1 1.851 0.1 . 2 . . . . 78 ILE HG12 . 15989 1 1027 . 1 1 78 78 ILE HG13 H 1 1.856 0.1 . 2 . . . . 78 ILE HG13 . 15989 1 1028 . 1 1 78 78 ILE HG21 H 1 1.177 0.1 . 1 . . . . 78 ILE HG2 . 15989 1 1029 . 1 1 78 78 ILE HG22 H 1 1.177 0.1 . 1 . . . . 78 ILE HG2 . 15989 1 1030 . 1 1 78 78 ILE HG23 H 1 1.177 0.1 . 1 . . . . 78 ILE HG2 . 15989 1 1031 . 1 1 78 78 ILE C C 13 178.202 0.1 . 1 . . . . 78 ILE C . 15989 1 1032 . 1 1 78 78 ILE CA C 13 65.997 0.1 . 1 . . . . 78 ILE CA . 15989 1 1033 . 1 1 78 78 ILE CB C 13 38.343 0.1 . 1 . . . . 78 ILE CB . 15989 1 1034 . 1 1 78 78 ILE CD1 C 13 12.995 0.1 . 1 . . . . 78 ILE CD1 . 15989 1 1035 . 1 1 78 78 ILE CG1 C 13 20.213 0.1 . 1 . . . . 78 ILE CG1 . 15989 1 1036 . 1 1 78 78 ILE CG2 C 13 17.918 0.1 . 1 . . . . 78 ILE CG2 . 15989 1 1037 . 1 1 78 78 ILE N N 15 118.29 0.1 . 1 . . . . 78 ILE N . 15989 1 1038 . 1 1 79 79 SER H H 1 8.386 0.1 . 1 . . . . 79 SER H . 15989 1 1039 . 1 1 79 79 SER HA H 1 4.049 0.1 . 1 . . . . 79 SER HA . 15989 1 1040 . 1 1 79 79 SER HB2 H 1 4.158 0.1 . 2 . . . . 79 SER HB2 . 15989 1 1041 . 1 1 79 79 SER HB3 H 1 4.158 0.1 . 2 . . . . 79 SER HB3 . 15989 1 1042 . 1 1 79 79 SER C C 13 175.627 0.1 . 1 . . . . 79 SER C . 15989 1 1043 . 1 1 79 79 SER CA C 13 61.084 0.1 . 1 . . . . 79 SER CA . 15989 1 1044 . 1 1 79 79 SER CB C 13 62.72 0.1 . 1 . . . . 79 SER CB . 15989 1 1045 . 1 1 79 79 SER N N 15 114.363 0.1 . 1 . . . . 79 SER N . 15989 1 1046 . 1 1 80 80 LYS H H 1 7.017 0.01 . 1 . . . . 80 LYS H . 15989 1 1047 . 1 1 80 80 LYS HA H 1 4.005 0.01 . 1 . . . . 80 LYS HA . 15989 1 1048 . 1 1 80 80 LYS HB2 H 1 1.489 0.01 . 2 . . . . 80 LYS HB2 . 15989 1 1049 . 1 1 80 80 LYS HB3 H 1 1.489 0.01 . 2 . . . . 80 LYS HB3 . 15989 1 1050 . 1 1 80 80 LYS HD2 H 1 1.501 0.01 . 2 . . . . 80 LYS HD2 . 15989 1 1051 . 1 1 80 80 LYS HD3 H 1 1.501 0.01 . 2 . . . . 80 LYS HD3 . 15989 1 1052 . 1 1 80 80 LYS HE2 H 1 2.845 0.01 . 2 . . . . 80 LYS HE2 . 15989 1 1053 . 1 1 80 80 LYS HE3 H 1 2.965 0.01 . 2 . . . . 80 LYS HE3 . 15989 1 1054 . 1 1 80 80 LYS HG2 H 1 1.305 0.01 . 2 . . . . 80 LYS HG2 . 15989 1 1055 . 1 1 80 80 LYS HG3 H 1 1.305 0.01 . 2 . . . . 80 LYS HG3 . 15989 1 1056 . 1 1 80 80 LYS C C 13 177.361 0.1 . 1 . . . . 80 LYS C . 15989 1 1057 . 1 1 80 80 LYS CA C 13 57.098 0.1 . 1 . . . . 80 LYS CA . 15989 1 1058 . 1 1 80 80 LYS CB C 13 31.083 0.1 . 1 . . . . 80 LYS CB . 15989 1 1059 . 1 1 80 80 LYS CD C 13 27.988 0.1 . 1 . . . . 80 LYS CD . 15989 1 1060 . 1 1 80 80 LYS CE C 13 42.055 0.1 . 1 . . . . 80 LYS CE . 15989 1 1061 . 1 1 80 80 LYS CG C 13 24.239 0.1 . 1 . . . . 80 LYS CG . 15989 1 1062 . 1 1 80 80 LYS N N 15 118.534 0.1 . 1 . . . . 80 LYS N . 15989 1 1063 . 1 1 81 81 PHE H H 1 7.932 0.01 . 1 . . . . 81 PHE H . 15989 1 1064 . 1 1 81 81 PHE HA H 1 4.467 0.01 . 1 . . . . 81 PHE HA . 15989 1 1065 . 1 1 81 81 PHE HB2 H 1 2.958 0.01 . 2 . . . . 81 PHE HB2 . 15989 1 1066 . 1 1 81 81 PHE HB3 H 1 3.453 0.01 . 2 . . . . 81 PHE HB3 . 15989 1 1067 . 1 1 81 81 PHE HD1 H 1 7.542 0.01 . 3 . . . . 81 PHE HD1 . 15989 1 1068 . 1 1 81 81 PHE HD2 H 1 7.542 0.01 . 3 . . . . 81 PHE HD2 . 15989 1 1069 . 1 1 81 81 PHE HE1 H 1 7.441 0.01 . 3 . . . . 81 PHE HE1 . 15989 1 1070 . 1 1 81 81 PHE HE2 H 1 7.441 0.01 . 3 . . . . 81 PHE HE2 . 15989 1 1071 . 1 1 81 81 PHE C C 13 174.969 0.1 . 1 . . . . 81 PHE C . 15989 1 1072 . 1 1 81 81 PHE CA C 13 58.5 0.1 . 1 . . . . 81 PHE CA . 15989 1 1073 . 1 1 81 81 PHE CB C 13 39.516 0.1 . 1 . . . . 81 PHE CB . 15989 1 1074 . 1 1 81 81 PHE CD1 C 13 132.78 0.1 . 3 . . . . 81 PHE CD1 . 15989 1 1075 . 1 1 81 81 PHE CD2 C 13 132.78 0.1 . 3 . . . . 81 PHE CD2 . 15989 1 1076 . 1 1 81 81 PHE CE1 C 13 129.71 0.1 . 3 . . . . 81 PHE CE1 . 15989 1 1077 . 1 1 81 81 PHE CE2 C 13 129.71 0.1 . 3 . . . . 81 PHE CE2 . 15989 1 1078 . 1 1 81 81 PHE N N 15 114.88 0.1 . 1 . . . . 81 PHE N . 15989 1 1079 . 1 1 82 82 LEU H H 1 7.487 0.01 . 1 . . . . 82 LEU H . 15989 1 1080 . 1 1 82 82 LEU HA H 1 4.666 0.01 . 1 . . . . 82 LEU HA . 15989 1 1081 . 1 1 82 82 LEU HB2 H 1 1.574 0.01 . 2 . . . . 82 LEU HB2 . 15989 1 1082 . 1 1 82 82 LEU HB3 H 1 1.574 0.01 . 2 . . . . 82 LEU HB3 . 15989 1 1083 . 1 1 82 82 LEU HD11 H 1 1.09 0.01 . 2 . . . . 82 LEU HD1 . 15989 1 1084 . 1 1 82 82 LEU HD12 H 1 1.09 0.01 . 2 . . . . 82 LEU HD1 . 15989 1 1085 . 1 1 82 82 LEU HD13 H 1 1.09 0.01 . 2 . . . . 82 LEU HD1 . 15989 1 1086 . 1 1 82 82 LEU HD21 H 1 1.143 0.01 . 2 . . . . 82 LEU HD2 . 15989 1 1087 . 1 1 82 82 LEU HD22 H 1 1.143 0.01 . 2 . . . . 82 LEU HD2 . 15989 1 1088 . 1 1 82 82 LEU HD23 H 1 1.143 0.01 . 2 . . . . 82 LEU HD2 . 15989 1 1089 . 1 1 82 82 LEU HG H 1 1.753 0.01 . 1 . . . . 82 LEU HG . 15989 1 1090 . 1 1 82 82 LEU C C 13 175.107 0.1 . 1 . . . . 82 LEU C . 15989 1 1091 . 1 1 82 82 LEU CA C 13 52.875 0.1 . 1 . . . . 82 LEU CA . 15989 1 1092 . 1 1 82 82 LEU CB C 13 42.802 0.1 . 1 . . . . 82 LEU CB . 15989 1 1093 . 1 1 82 82 LEU CD1 C 13 24.697 0.1 . 2 . . . . 82 LEU CD1 . 15989 1 1094 . 1 1 82 82 LEU CD2 C 13 26.77 0.1 . 2 . . . . 82 LEU CD2 . 15989 1 1095 . 1 1 82 82 LEU CG C 13 27.063 0.1 . 1 . . . . 82 LEU CG . 15989 1 1096 . 1 1 82 82 LEU N N 15 122.945 0.1 . 1 . . . . 82 LEU N . 15989 1 1097 . 1 1 83 83 LYS H H 1 8.256 0.01 . 1 . . . . 83 LYS H . 15989 1 1098 . 1 1 83 83 LYS HA H 1 4.12 0.01 . 1 . . . . 83 LYS HA . 15989 1 1099 . 1 1 83 83 LYS HB2 H 1 1.676 0.01 . 2 . . . . 83 LYS HB2 . 15989 1 1100 . 1 1 83 83 LYS HB3 H 1 1.676 0.01 . 2 . . . . 83 LYS HB3 . 15989 1 1101 . 1 1 83 83 LYS HD2 H 1 1.61 0.01 . 2 . . . . 83 LYS HD2 . 15989 1 1102 . 1 1 83 83 LYS HD3 H 1 1.61 0.01 . 2 . . . . 83 LYS HD3 . 15989 1 1103 . 1 1 83 83 LYS HE2 H 1 2.93 0.01 . 2 . . . . 83 LYS HE2 . 15989 1 1104 . 1 1 83 83 LYS HE3 H 1 2.93 0.01 . 2 . . . . 83 LYS HE3 . 15989 1 1105 . 1 1 83 83 LYS HG2 H 1 1.40 0.01 . 2 . . . . 83 LYS HG2 . 15989 1 1106 . 1 1 83 83 LYS HG3 H 1 1.311 0.01 . 2 . . . . 83 LYS HG3 . 15989 1 1107 . 1 1 83 83 LYS C C 13 176.236 0.1 . 1 . . . . 83 LYS C . 15989 1 1108 . 1 1 83 83 LYS CA C 13 56.63 0.1 . 1 . . . . 83 LYS CA . 15989 1 1109 . 1 1 83 83 LYS CB C 13 31.786 0.1 . 1 . . . . 83 LYS CB . 15989 1 1110 . 1 1 83 83 LYS CD C 13 28.917 0.1 . 1 . . . . 83 LYS CD . 15989 1 1111 . 1 1 83 83 LYS CE C 13 42.045 0.1 . 1 . . . . 83 LYS CE . 15989 1 1112 . 1 1 83 83 LYS CG C 13 24.564 0.1 . 1 . . . . 83 LYS CG . 15989 1 1113 . 1 1 83 83 LYS N N 15 118.856 0.1 . 1 . . . . 83 LYS N . 15989 1 1114 . 1 1 84 84 ASN H H 1 8.684 0.1 . 1 . . . . 84 ASN H . 15989 1 1115 . 1 1 84 84 ASN HA H 1 4.304 0.1 . 1 . . . . 84 ASN HA . 15989 1 1116 . 1 1 84 84 ASN HB2 H 1 2.727 0.1 . 2 . . . . 84 ASN HB2 . 15989 1 1117 . 1 1 84 84 ASN HB3 H 1 2.929 0.1 . 2 . . . . 84 ASN HB3 . 15989 1 1118 . 1 1 84 84 ASN HD21 H 1 7.586 0.1 . 2 . . . . 84 ASN HD21 . 15989 1 1119 . 1 1 84 84 ASN HD22 H 1 6.86 0.1 . 2 . . . . 84 ASN HD22 . 15989 1 1120 . 1 1 84 84 ASN C C 13 173.846 0.1 . 1 . . . . 84 ASN C . 15989 1 1121 . 1 1 84 84 ASN CA C 13 53.816 0.1 . 1 . . . . 84 ASN CA . 15989 1 1122 . 1 1 84 84 ASN CB C 13 37.176 0.1 . 1 . . . . 84 ASN CB . 15989 1 1123 . 1 1 84 84 ASN N N 15 116.099 0.1 . 1 . . . . 84 ASN N . 15989 1 1124 . 1 1 84 84 ASN ND2 N 15 113.4 0.1 . 1 . . . . 84 ASN ND2 . 15989 1 1125 . 1 1 85 85 ARG H H 1 7.665 0.1 . 1 . . . . 85 ARG H . 15989 1 1126 . 1 1 85 85 ARG HA H 1 4.675 0.1 . 1 . . . . 85 ARG HA . 15989 1 1127 . 1 1 85 85 ARG HB2 H 1 1.741 0.1 . 2 . . . . 85 ARG HB2 . 15989 1 1128 . 1 1 85 85 ARG HB3 H 1 1.679 0.1 . 2 . . . . 85 ARG HB3 . 15989 1 1129 . 1 1 85 85 ARG HE H 1 9.18 0.1 . 1 . . . . 85 ARG HE . 15989 1 1130 . 1 1 85 85 ARG HG2 H 1 1.356 0.1 . 2 . . . . 85 ARG HG2 . 15989 1 1131 . 1 1 85 85 ARG HG3 H 1 1.356 0.1 . 2 . . . . 85 ARG HG3 . 15989 1 1132 . 1 1 85 85 ARG C C 13 175.529 0.1 . 1 . . . . 85 ARG C . 15989 1 1133 . 1 1 85 85 ARG CA C 13 53.112 0.1 . 1 . . . . 85 ARG CA . 15989 1 1134 . 1 1 85 85 ARG CB C 13 31.783 0.1 . 1 . . . . 85 ARG CB . 15989 1 1135 . 1 1 85 85 ARG CD C 13 42.976 0.1 . 1 . . . . 85 ARG CD . 15989 1 1136 . 1 1 85 85 ARG CG C 13 25.64 0.1 . 1 . . . . 85 ARG CG . 15989 1 1137 . 1 1 85 85 ARG N N 15 116.162 0.1 . 1 . . . . 85 ARG N . 15989 1 1138 . 1 1 85 85 ARG NE N 15 86.232 0.1 . 1 . . . . 85 ARG NE . 15989 1 1139 . 1 1 86 86 SER H H 1 8.864 0.1 . 1 . . . . 86 SER H . 15989 1 1140 . 1 1 86 86 SER HA H 1 4.488 0.1 . 1 . . . . 86 SER HA . 15989 1 1141 . 1 1 86 86 SER HB2 H 1 4.356 0.1 . 2 . . . . 86 SER HB2 . 15989 1 1142 . 1 1 86 86 SER HB3 H 1 4.01 0.1 . 2 . . . . 86 SER HB3 . 15989 1 1143 . 1 1 86 86 SER C C 13 174.407 0.1 . 1 . . . . 86 SER C . 15989 1 1144 . 1 1 86 86 SER CA C 13 57.093 0.1 . 1 . . . . 86 SER CA . 15989 1 1145 . 1 1 86 86 SER CB C 13 64.84 0.1 . 1 . . . . 86 SER CB . 15989 1 1146 . 1 1 86 86 SER N N 15 119.204 0.1 . 1 . . . . 86 SER N . 15989 1 1147 . 1 1 87 87 ASP H H 1 8.784 0.1 . 1 . . . . 87 ASP H . 15989 1 1148 . 1 1 87 87 ASP HA H 1 4.095 0.1 . 1 . . . . 87 ASP HA . 15989 1 1149 . 1 1 87 87 ASP HB2 H 1 2.672 0.1 . 2 . . . . 87 ASP HB2 . 15989 1 1150 . 1 1 87 87 ASP HB3 H 1 2.672 0.1 . 2 . . . . 87 ASP HB3 . 15989 1 1151 . 1 1 87 87 ASP C C 13 178.111 0.1 . 1 . . . . 87 ASP C . 15989 1 1152 . 1 1 87 87 ASP CA C 13 57.801 0.1 . 1 . . . . 87 ASP CA . 15989 1 1153 . 1 1 87 87 ASP CB C 13 39.056 0.1 . 1 . . . . 87 ASP CB . 15989 1 1154 . 1 1 87 87 ASP N N 15 121.415 0.1 . 1 . . . . 87 ASP N . 15989 1 1155 . 1 1 88 88 ASN H H 1 8.491 0.1 . 1 . . . . 88 ASN H . 15989 1 1156 . 1 1 88 88 ASN HA H 1 4.166 0.1 . 1 . . . . 88 ASN HA . 15989 1 1157 . 1 1 88 88 ASN HB2 H 1 2.642 0.1 . 2 . . . . 88 ASN HB2 . 15989 1 1158 . 1 1 88 88 ASN HB3 H 1 2.642 0.1 . 2 . . . . 88 ASN HB3 . 15989 1 1159 . 1 1 88 88 ASN HD21 H 1 7.618 0.1 . 2 . . . . 88 ASN HD21 . 15989 1 1160 . 1 1 88 88 ASN HD22 H 1 7.003 0.1 . 2 . . . . 88 ASN HD22 . 15989 1 1161 . 1 1 88 88 ASN C C 13 176.842 0.1 . 1 . . . . 88 ASN C . 15989 1 1162 . 1 1 88 88 ASN CA C 13 55.458 0.1 . 1 . . . . 88 ASN CA . 15989 1 1163 . 1 1 88 88 ASN CB C 13 38.103 0.1 . 1 . . . . 88 ASN CB . 15989 1 1164 . 1 1 88 88 ASN N N 15 115.811 0.1 . 1 . . . . 88 ASN N . 15989 1 1165 . 1 1 88 88 ASN ND2 N 15 113.5 0.1 . 1 . . . . 88 ASN ND2 . 15989 1 1166 . 1 1 89 89 ASN H H 1 7.959 0.1 . 1 . . . . 89 ASN H . 15989 1 1167 . 1 1 89 89 ASN HA H 1 4.422 0.1 . 1 . . . . 89 ASN HA . 15989 1 1168 . 1 1 89 89 ASN HB2 H 1 3.099 0.1 . 2 . . . . 89 ASN HB2 . 15989 1 1169 . 1 1 89 89 ASN HB3 H 1 3.099 0.1 . 2 . . . . 89 ASN HB3 . 15989 1 1170 . 1 1 89 89 ASN HD21 H 1 7.753 0.1 . 2 . . . . 89 ASN HD21 . 15989 1 1171 . 1 1 89 89 ASN HD22 H 1 7.257 0.1 . 2 . . . . 89 ASN HD22 . 15989 1 1172 . 1 1 89 89 ASN C C 13 178.159 0.1 . 1 . . . . 89 ASN C . 15989 1 1173 . 1 1 89 89 ASN CA C 13 56.632 0.1 . 1 . . . . 89 ASN CA . 15989 1 1174 . 1 1 89 89 ASN CB C 13 39.749 0.1 . 1 . . . . 89 ASN CB . 15989 1 1175 . 1 1 89 89 ASN N N 15 120.679 0.1 . 1 . . . . 89 ASN N . 15989 1 1176 . 1 1 89 89 ASN ND2 N 15 111.6 0.1 . 1 . . . . 89 ASN ND2 . 15989 1 1177 . 1 1 90 90 ILE H H 1 8.373 0.1 . 1 . . . . 90 ILE H . 15989 1 1178 . 1 1 90 90 ILE HA H 1 3.84 0.1 . 1 . . . . 90 ILE HA . 15989 1 1179 . 1 1 90 90 ILE HB H 1 2.03 0.1 . 1 . . . . 90 ILE HB . 15989 1 1180 . 1 1 90 90 ILE HD11 H 1 0.987 0.1 . 1 . . . . 90 ILE HD1 . 15989 1 1181 . 1 1 90 90 ILE HD12 H 1 0.987 0.1 . 1 . . . . 90 ILE HD1 . 15989 1 1182 . 1 1 90 90 ILE HD13 H 1 0.987 0.1 . 1 . . . . 90 ILE HD1 . 15989 1 1183 . 1 1 90 90 ILE HG12 H 1 2.160 0.1 . 2 . . . . 90 ILE HG12 . 15989 1 1184 . 1 1 90 90 ILE HG13 H 1 1.193 0.1 . 2 . . . . 90 ILE HG13 . 15989 1 1185 . 1 1 90 90 ILE HG21 H 1 1.339 0.1 . 1 . . . . 90 ILE HG2 . 15989 1 1186 . 1 1 90 90 ILE HG22 H 1 1.339 0.1 . 1 . . . . 90 ILE HG2 . 15989 1 1187 . 1 1 90 90 ILE HG23 H 1 1.339 0.1 . 1 . . . . 90 ILE HG2 . 15989 1 1188 . 1 1 90 90 ILE C C 13 176.191 0.1 . 1 . . . . 90 ILE C . 15989 1 1189 . 1 1 90 90 ILE CA C 13 65.298 0.1 . 1 . . . . 90 ILE CA . 15989 1 1190 . 1 1 90 90 ILE CB C 13 38.109 0.1 . 1 . . . . 90 ILE CB . 15989 1 1191 . 1 1 90 90 ILE CD1 C 13 15.105 0.1 . 1 . . . . 90 ILE CD1 . 15989 1 1192 . 1 1 90 90 ILE CG1 C 13 29.172 0.1 . 1 . . . . 90 ILE CG1 . 15989 1 1193 . 1 1 90 90 ILE CG2 C 13 19.798 0.1 . 1 . . . . 90 ILE CG2 . 15989 1 1194 . 1 1 90 90 ILE N N 15 120.84 0.1 . 1 . . . . 90 ILE N . 15989 1 1195 . 1 1 91 91 ARG H H 1 7.749 0.1 . 1 . . . . 91 ARG H . 15989 1 1196 . 1 1 91 91 ARG HA H 1 2.077 0.1 . 1 . . . . 91 ARG HA . 15989 1 1197 . 1 1 91 91 ARG HB2 H 1 0.089 0.1 . 2 . . . . 91 ARG HB2 . 15989 1 1198 . 1 1 91 91 ARG HB3 H 1 1.205 0.1 . 2 . . . . 91 ARG HB3 . 15989 1 1199 . 1 1 91 91 ARG HD2 H 1 2.894 0.1 . 2 . . . . 91 ARG HD2 . 15989 1 1200 . 1 1 91 91 ARG HD3 H 1 3.045 0.1 . 2 . . . . 91 ARG HD3 . 15989 1 1201 . 1 1 91 91 ARG HG2 H 1 0.973 0.1 . 2 . . . . 91 ARG HG2 . 15989 1 1202 . 1 1 91 91 ARG HG3 H 1 1.059 0.1 . 2 . . . . 91 ARG HG3 . 15989 1 1203 . 1 1 91 91 ARG C C 13 178.063 0.1 . 1 . . . . 91 ARG C . 15989 1 1204 . 1 1 91 91 ARG CA C 13 58.5 0.1 . 1 . . . . 91 ARG CA . 15989 1 1205 . 1 1 91 91 ARG CB C 13 28.969 0.1 . 1 . . . . 91 ARG CB . 15989 1 1206 . 1 1 91 91 ARG CD C 13 43.465 0.1 . 1 . . . . 91 ARG CD . 15989 1 1207 . 1 1 91 91 ARG CG C 13 26.581 0.1 . 1 . . . . 91 ARG CG . 15989 1 1208 . 1 1 91 91 ARG N N 15 120.23 0.1 . 1 . . . . 91 ARG N . 15989 1 1209 . 1 1 92 92 ASN H H 1 7.959 0.1 . 1 . . . . 92 ASN H . 15989 1 1210 . 1 1 92 92 ASN HA H 1 4.167 0.1 . 1 . . . . 92 ASN HA . 15989 1 1211 . 1 1 92 92 ASN HB2 H 1 2.692 0.1 . 2 . . . . 92 ASN HB2 . 15989 1 1212 . 1 1 92 92 ASN HB3 H 1 2.644 0.1 . 2 . . . . 92 ASN HB3 . 15989 1 1213 . 1 1 92 92 ASN HD21 H 1 7.564 0.1 . 2 . . . . 92 ASN HD21 . 15989 1 1214 . 1 1 92 92 ASN HD22 H 1 6.81 0.1 . 2 . . . . 92 ASN HD22 . 15989 1 1215 . 1 1 92 92 ASN C C 13 177.689 0.1 . 1 . . . . 92 ASN C . 15989 1 1216 . 1 1 92 92 ASN CA C 13 55.64 0.1 . 1 . . . . 92 ASN CA . 15989 1 1217 . 1 1 92 92 ASN CB C 13 37.644 0.1 . 1 . . . . 92 ASN CB . 15989 1 1218 . 1 1 92 92 ASN N N 15 115.405 0.1 . 1 . . . . 92 ASN N . 15989 1 1219 . 1 1 92 92 ASN ND2 N 15 112.4 0.1 . 1 . . . . 92 ASN ND2 . 15989 1 1220 . 1 1 93 93 ARG H H 1 7.872 0.1 . 1 . . . . 93 ARG H . 15989 1 1221 . 1 1 93 93 ARG HA H 1 3.61 0.1 . 1 . . . . 93 ARG HA . 15989 1 1222 . 1 1 93 93 ARG HB2 H 1 1.358 0.1 . 2 . . . . 93 ARG HB2 . 15989 1 1223 . 1 1 93 93 ARG HB3 H 1 0.778 0.1 . 2 . . . . 93 ARG HB3 . 15989 1 1224 . 1 1 93 93 ARG HD2 H 1 2.468 0.1 . 2 . . . . 93 ARG HD2 . 15989 1 1225 . 1 1 93 93 ARG HD3 H 1 1.003 0.1 . 2 . . . . 93 ARG HD3 . 15989 1 1226 . 1 1 93 93 ARG HE H 1 8.472 0.1 . 1 . . . . 93 ARG HE . 15989 1 1227 . 1 1 93 93 ARG HG2 H 1 0.475 0.1 . 2 . . . . 93 ARG HG2 . 15989 1 1228 . 1 1 93 93 ARG HG3 H 1 -0.57 0.1 . 2 . . . . 93 ARG HG3 . 15989 1 1229 . 1 1 93 93 ARG C C 13 177.737 0.1 . 1 . . . . 93 ARG C . 15989 1 1230 . 1 1 93 93 ARG CA C 13 57.263 0.1 . 1 . . . . 93 ARG CA . 15989 1 1231 . 1 1 93 93 ARG CB C 13 29.141 0.1 . 1 . . . . 93 ARG CB . 15989 1 1232 . 1 1 93 93 ARG CD C 13 42.759 0.1 . 1 . . . . 93 ARG CD . 15989 1 1233 . 1 1 93 93 ARG CG C 13 22.839 0.1 . 1 . . . . 93 ARG CG . 15989 1 1234 . 1 1 93 93 ARG N N 15 122.36 0.1 . 1 . . . . 93 ARG N . 15989 1 1235 . 1 1 93 93 ARG NE N 15 87.046 0.1 . 1 . . . . 93 ARG NE . 15989 1 1236 . 1 1 94 94 TRP H H 1 8.411 0.1 . 1 . . . . 94 TRP H . 15989 1 1237 . 1 1 94 94 TRP HA H 1 3.818 0.1 . 1 . . . . 94 TRP HA . 15989 1 1238 . 1 1 94 94 TRP HB2 H 1 3.154 0.1 . 2 . . . . 94 TRP HB2 . 15989 1 1239 . 1 1 94 94 TRP HB3 H 1 3.310 0.1 . 2 . . . . 94 TRP HB3 . 15989 1 1240 . 1 1 94 94 TRP HE1 H 1 9.43 0.1 . 1 . . . . 94 TRP HE1 . 15989 1 1241 . 1 1 94 94 TRP N N 15 119.51 0.1 . 1 . . . . 94 TRP N . 15989 1 1242 . 1 1 94 94 TRP NE1 N 15 128.96 0.1 . 1 . . . . 94 TRP NE1 . 15989 1 1243 . 1 1 95 95 MET HA H 1 3.725 0.1 . 1 . . . . 95 MET HA . 15989 1 1244 . 1 1 95 95 MET HB2 H 1 2.02 0.1 . 2 . . . . 95 MET HB2 . 15989 1 1245 . 1 1 95 95 MET HB3 H 1 2.02 0.1 . 2 . . . . 95 MET HB3 . 15989 1 1246 . 1 1 95 95 MET C C 13 178.58 0.1 . 1 . . . . 95 MET C . 15989 1 1247 . 1 1 95 95 MET CA C 13 57.807 0.1 . 1 . . . . 95 MET CA . 15989 1 1248 . 1 1 95 95 MET CB C 13 32.023 0.1 . 1 . . . . 95 MET CB . 15989 1 1249 . 1 1 96 96 MET H H 1 7.58 0.1 . 1 . . . . 96 MET H . 15989 1 1250 . 1 1 96 96 MET HA H 1 3.98 0.1 . 1 . . . . 96 MET HA . 15989 1 1251 . 1 1 96 96 MET HB2 H 1 2.03 0.1 . 2 . . . . 96 MET HB2 . 15989 1 1252 . 1 1 96 96 MET HB3 H 1 2.03 0.1 . 2 . . . . 96 MET HB3 . 15989 1 1253 . 1 1 96 96 MET HG2 H 1 2.522 0.1 . 2 . . . . 96 MET HG2 . 15989 1 1254 . 1 1 96 96 MET HG3 H 1 2.357 0.1 . 2 . . . . 96 MET HG3 . 15989 1 1255 . 1 1 96 96 MET C C 13 178.344 0.1 . 1 . . . . 96 MET C . 15989 1 1256 . 1 1 96 96 MET CA C 13 58.033 0.1 . 1 . . . . 96 MET CA . 15989 1 1257 . 1 1 96 96 MET CB C 13 31.783 0.1 . 1 . . . . 96 MET CB . 15989 1 1258 . 1 1 96 96 MET CG C 13 31.271 0.1 . 1 . . . . 96 MET CG . 15989 1 1259 . 1 1 96 96 MET N N 15 118.34 0.1 . 1 . . . . 96 MET N . 15989 1 1260 . 1 1 97 97 ILE H H 1 7.884 0.1 . 1 . . . . 97 ILE H . 15989 1 1261 . 1 1 97 97 ILE HA H 1 3.583 0.1 . 1 . . . . 97 ILE HA . 15989 1 1262 . 1 1 97 97 ILE HB H 1 1.496 0.1 . 1 . . . . 97 ILE HB . 15989 1 1263 . 1 1 97 97 ILE HD11 H 1 0.627 0.1 . 1 . . . . 97 ILE HD1 . 15989 1 1264 . 1 1 97 97 ILE HD12 H 1 0.627 0.1 . 1 . . . . 97 ILE HD1 . 15989 1 1265 . 1 1 97 97 ILE HD13 H 1 0.627 0.1 . 1 . . . . 97 ILE HD1 . 15989 1 1266 . 1 1 97 97 ILE HG12 H 1 1.190 0.1 . 2 . . . . 97 ILE HG12 . 15989 1 1267 . 1 1 97 97 ILE HG13 H 1 0.884 0.1 . 2 . . . . 97 ILE HG13 . 15989 1 1268 . 1 1 97 97 ILE HG21 H 1 0.530 0.1 . 1 . . . . 97 ILE HG2 . 15989 1 1269 . 1 1 97 97 ILE HG22 H 1 0.530 0.1 . 1 . . . . 97 ILE HG2 . 15989 1 1270 . 1 1 97 97 ILE HG23 H 1 0.530 0.1 . 1 . . . . 97 ILE HG2 . 15989 1 1271 . 1 1 97 97 ILE C C 13 178.154 0.1 . 1 . . . . 97 ILE C . 15989 1 1272 . 1 1 97 97 ILE CA C 13 63.656 0.1 . 1 . . . . 97 ILE CA . 15989 1 1273 . 1 1 97 97 ILE CB C 13 37.637 0.1 . 1 . . . . 97 ILE CB . 15989 1 1274 . 1 1 97 97 ILE CD1 C 13 12.989 0.1 . 1 . . . . 97 ILE CD1 . 15989 1 1275 . 1 1 97 97 ILE CG1 C 13 27.505 0.1 . 1 . . . . 97 ILE CG1 . 15989 1 1276 . 1 1 97 97 ILE CG2 C 13 16.621 0.1 . 1 . . . . 97 ILE CG2 . 15989 1 1277 . 1 1 97 97 ILE N N 15 120.158 0.1 . 1 . . . . 97 ILE N . 15989 1 1278 . 1 1 98 98 ALA H H 1 8.064 0.1 . 1 . . . . 98 ALA H . 15989 1 1279 . 1 1 98 98 ALA HA H 1 3.515 0.1 . 1 . . . . 98 ALA HA . 15989 1 1280 . 1 1 98 98 ALA HB1 H 1 0.605 0.1 . 1 . . . . 98 ALA HB . 15989 1 1281 . 1 1 98 98 ALA HB2 H 1 0.605 0.1 . 1 . . . . 98 ALA HB . 15989 1 1282 . 1 1 98 98 ALA HB3 H 1 0.605 0.1 . 1 . . . . 98 ALA HB . 15989 1 1283 . 1 1 98 98 ALA C C 13 180.224 0.1 . 1 . . . . 98 ALA C . 15989 1 1284 . 1 1 98 98 ALA CA C 13 54.283 0.1 . 1 . . . . 98 ALA CA . 15989 1 1285 . 1 1 98 98 ALA CB C 13 17.251 0.1 . 1 . . . . 98 ALA CB . 15989 1 1286 . 1 1 98 98 ALA N N 15 123.446 0.1 . 1 . . . . 98 ALA N . 15989 1 1287 . 1 1 99 99 ARG H H 1 7.623 0.1 . 1 . . . . 99 ARG H . 15989 1 1288 . 1 1 99 99 ARG HA H 1 3.934 0.1 . 1 . . . . 99 ARG HA . 15989 1 1289 . 1 1 99 99 ARG HB2 H 1 1.658 0.1 . 2 . . . . 99 ARG HB2 . 15989 1 1290 . 1 1 99 99 ARG HB3 H 1 1.61 0.1 . 2 . . . . 99 ARG HB3 . 15989 1 1291 . 1 1 99 99 ARG HD2 H 1 3.062 0.1 . 2 . . . . 99 ARG HD2 . 15989 1 1292 . 1 1 99 99 ARG HD3 H 1 3.062 0.1 . 2 . . . . 99 ARG HD3 . 15989 1 1293 . 1 1 99 99 ARG HG2 H 1 1.462 0.1 . 2 . . . . 99 ARG HG2 . 15989 1 1294 . 1 1 99 99 ARG HG3 H 1 1.49 0.1 . 2 . . . . 99 ARG HG3 . 15989 1 1295 . 1 1 99 99 ARG C C 13 177.923 0.1 . 1 . . . . 99 ARG C . 15989 1 1296 . 1 1 99 99 ARG CA C 13 57.968 0.1 . 1 . . . . 99 ARG CA . 15989 1 1297 . 1 1 99 99 ARG CB C 13 29.606 0.1 . 1 . . . . 99 ARG CB . 15989 1 1298 . 1 1 99 99 ARG CD C 13 43.437 0.1 . 1 . . . . 99 ARG CD . 15989 1 1299 . 1 1 99 99 ARG CG C 13 27.048 0.1 . 1 . . . . 99 ARG CG . 15989 1 1300 . 1 1 99 99 ARG N N 15 117.538 0.1 . 1 . . . . 99 ARG N . 15989 1 1301 . 1 1 100 100 HIS H H 1 7.797 0.1 . 1 . . . . 100 HIS H . 15989 1 1302 . 1 1 100 100 HIS HA H 1 4.409 0.1 . 1 . . . . 100 HIS HA . 15989 1 1303 . 1 1 100 100 HIS HB2 H 1 3.134 0.1 . 2 . . . . 100 HIS HB2 . 15989 1 1304 . 1 1 100 100 HIS HB3 H 1 3.134 0.1 . 2 . . . . 100 HIS HB3 . 15989 1 1305 . 1 1 100 100 HIS HD2 H 1 7.12 0.1 . 1 . . . . 100 HIS HD2 . 15989 1 1306 . 1 1 100 100 HIS HE1 H 1 8.33 0.1 . 1 . . . . 100 HIS HE1 . 15989 1 1307 . 1 1 100 100 HIS C C 13 176.575 0.1 . 1 . . . . 100 HIS C . 15989 1 1308 . 1 1 100 100 HIS CA C 13 57.109 0.1 . 1 . . . . 100 HIS CA . 15989 1 1309 . 1 1 100 100 HIS CB C 13 29.204 0.1 . 1 . . . . 100 HIS CB . 15989 1 1310 . 1 1 100 100 HIS CD2 C 13 119.98 0.1 . 1 . . . . 100 HIS CD2 . 15989 1 1311 . 1 1 100 100 HIS CE1 C 13 137.41 0.1 . 1 . . . . 100 HIS CE1 . 15989 1 1312 . 1 1 100 100 HIS N N 15 118.311 0.1 . 1 . . . . 100 HIS N . 15989 1 1313 . 1 1 101 101 ARG H H 1 8.057 0.1 . 1 . . . . 101 ARG H . 15989 1 1314 . 1 1 101 101 ARG HA H 1 4.062 0.1 . 1 . . . . 101 ARG HA . 15989 1 1315 . 1 1 101 101 ARG HB2 H 1 1.762 0.1 . 2 . . . . 101 ARG HB2 . 15989 1 1316 . 1 1 101 101 ARG HB3 H 1 1.762 0.1 . 2 . . . . 101 ARG HB3 . 15989 1 1317 . 1 1 101 101 ARG HD2 H 1 3.08 0.1 . 2 . . . . 101 ARG HD2 . 15989 1 1318 . 1 1 101 101 ARG HD3 H 1 2.998 0.1 . 2 . . . . 101 ARG HD3 . 15989 1 1319 . 1 1 101 101 ARG HG2 H 1 1.68 0.1 . 2 . . . . 101 ARG HG2 . 15989 1 1320 . 1 1 101 101 ARG HG3 H 1 1.68 0.1 . 2 . . . . 101 ARG HG3 . 15989 1 1321 . 1 1 101 101 ARG C C 13 177.22 0.1 . 1 . . . . 101 ARG C . 15989 1 1322 . 1 1 101 101 ARG CA C 13 57.556 0.1 . 1 . . . . 101 ARG CA . 15989 1 1323 . 1 1 101 101 ARG CB C 13 30.157 0.1 . 1 . . . . 101 ARG CB . 15989 1 1324 . 1 1 101 101 ARG CD C 13 43.447 0.1 . 1 . . . . 101 ARG CD . 15989 1 1325 . 1 1 101 101 ARG CG C 13 27.518 0.1 . 1 . . . . 101 ARG CG . 15989 1 1326 . 1 1 101 101 ARG N N 15 119.935 0.1 . 1 . . . . 101 ARG N . 15989 1 1327 . 1 1 102 102 ALA H H 1 7.917 0.1 . 1 . . . . 102 ALA H . 15989 1 1328 . 1 1 102 102 ALA HA H 1 4.167 0.1 . 1 . . . . 102 ALA HA . 15989 1 1329 . 1 1 102 102 ALA HB1 H 1 1.367 0.1 . 1 . . . . 102 ALA HB . 15989 1 1330 . 1 1 102 102 ALA HB2 H 1 1.367 0.1 . 1 . . . . 102 ALA HB . 15989 1 1331 . 1 1 102 102 ALA HB3 H 1 1.367 0.1 . 1 . . . . 102 ALA HB . 15989 1 1332 . 1 1 102 102 ALA C C 13 178.532 0.1 . 1 . . . . 102 ALA C . 15989 1 1333 . 1 1 102 102 ALA CA C 13 53.103 0.1 . 1 . . . . 102 ALA CA . 15989 1 1334 . 1 1 102 102 ALA CB C 13 18.447 0.1 . 1 . . . . 102 ALA CB . 15989 1 1335 . 1 1 102 102 ALA N N 15 122.678 0.1 . 1 . . . . 102 ALA N . 15989 1 1336 . 1 1 103 103 LYS H H 1 7.884 0.01 . 1 . . . . 103 LYS H . 15989 1 1337 . 1 1 103 103 LYS HA H 1 4.121 0.01 . 1 . . . . 103 LYS HA . 15989 1 1338 . 1 1 103 103 LYS HB2 H 1 1.708 0.01 . 2 . . . . 103 LYS HB2 . 15989 1 1339 . 1 1 103 103 LYS HB3 H 1 1.708 0.01 . 2 . . . . 103 LYS HB3 . 15989 1 1340 . 1 1 103 103 LYS HD2 H 1 1.614 0.01 . 2 . . . . 103 LYS HD2 . 15989 1 1341 . 1 1 103 103 LYS HD3 H 1 1.614 0.01 . 2 . . . . 103 LYS HD3 . 15989 1 1342 . 1 1 103 103 LYS HE2 H 1 2.93 0.01 . 2 . . . . 103 LYS HE2 . 15989 1 1343 . 1 1 103 103 LYS HE3 H 1 2.93 0.01 . 2 . . . . 103 LYS HE3 . 15989 1 1344 . 1 1 103 103 LYS HG2 H 1 1.393 0.01 . 2 . . . . 103 LYS HG2 . 15989 1 1345 . 1 1 103 103 LYS HG3 H 1 1.307 0.01 . 2 . . . . 103 LYS HG3 . 15989 1 1346 . 1 1 103 103 LYS C C 13 177.08 0.1 . 1 . . . . 103 LYS C . 15989 1 1347 . 1 1 103 103 LYS CA C 13 56.856 0.1 . 1 . . . . 103 LYS CA . 15989 1 1348 . 1 1 103 103 LYS CB C 13 32.48 0.1 . 1 . . . . 103 LYS CB . 15989 1 1349 . 1 1 103 103 LYS CD C 13 28.94 0.1 . 1 . . . . 103 LYS CD . 15989 1 1350 . 1 1 103 103 LYS CE C 13 41.931 0.1 . 1 . . . . 103 LYS CE . 15989 1 1351 . 1 1 103 103 LYS CG C 13 24.681 0.1 . 1 . . . . 103 LYS CG . 15989 1 1352 . 1 1 103 103 LYS N N 15 118.773 0.1 . 1 . . . . 103 LYS N . 15989 1 1353 . 1 1 104 104 HIS H H 1 8.118 0.1 . 1 . . . . 104 HIS H . 15989 1 1354 . 1 1 104 104 HIS HA H 1 4.56 0.1 . 1 . . . . 104 HIS HA . 15989 1 1355 . 1 1 104 104 HIS HB2 H 1 3.2 0.1 . 2 . . . . 104 HIS HB2 . 15989 1 1356 . 1 1 104 104 HIS HB3 H 1 3.023 0.1 . 2 . . . . 104 HIS HB3 . 15989 1 1357 . 1 1 104 104 HIS HD2 H 1 6.985 0.1 . 1 . . . . 104 HIS HD2 . 15989 1 1358 . 1 1 104 104 HIS HE1 H 1 8.045 0.1 . 1 . . . . 104 HIS HE1 . 15989 1 1359 . 1 1 104 104 HIS C C 13 175.204 0.1 . 1 . . . . 104 HIS C . 15989 1 1360 . 1 1 104 104 HIS CA C 13 55.932 0.1 . 1 . . . . 104 HIS CA . 15989 1 1361 . 1 1 104 104 HIS CB C 13 29.448 0.1 . 1 . . . . 104 HIS CB . 15989 1 1362 . 1 1 104 104 HIS CD2 C 13 120.23 0.1 . 1 . . . . 104 HIS CD2 . 15989 1 1363 . 1 1 104 104 HIS CE1 C 13 137.92 0.1 . 1 . . . . 104 HIS CE1 . 15989 1 1364 . 1 1 104 104 HIS N N 15 118.685 0.1 . 1 . . . . 104 HIS N . 15989 1 1365 . 1 1 105 105 GLN H H 1 8.233 0.01 . 1 . . . . 105 GLN H . 15989 1 1366 . 1 1 105 105 GLN HA H 1 4.218 0.01 . 1 . . . . 105 GLN HA . 15989 1 1367 . 1 1 105 105 GLN HB2 H 1 2.025 0.01 . 2 . . . . 105 GLN HB2 . 15989 1 1368 . 1 1 105 105 GLN HB3 H 1 2.025 0.01 . 2 . . . . 105 GLN HB3 . 15989 1 1369 . 1 1 105 105 GLN HE21 H 1 7.542 0.01 . 2 . . . . 105 GLN HE21 . 15989 1 1370 . 1 1 105 105 GLN HE22 H 1 6.86 0.01 . 2 . . . . 105 GLN HE22 . 15989 1 1371 . 1 1 105 105 GLN HG2 H 1 2.32 0.01 . 2 . . . . 105 GLN HG2 . 15989 1 1372 . 1 1 105 105 GLN HG3 H 1 2.32 0.01 . 2 . . . . 105 GLN HG3 . 15989 1 1373 . 1 1 105 105 GLN C C 13 176.172 0.1 . 1 . . . . 105 GLN C . 15989 1 1374 . 1 1 105 105 GLN CA C 13 56.13 0.1 . 1 . . . . 105 GLN CA . 15989 1 1375 . 1 1 105 105 GLN CB C 13 28.976 0.1 . 1 . . . . 105 GLN CB . 15989 1 1376 . 1 1 105 105 GLN CG C 13 33.616 0.1 . 1 . . . . 105 GLN CG . 15989 1 1377 . 1 1 105 105 GLN N N 15 121.104 0.1 . 1 . . . . 105 GLN N . 15989 1 1378 . 1 1 105 105 GLN NE2 N 15 112.5 0.1 . 1 . . . . 105 GLN NE2 . 15989 1 1379 . 1 1 106 106 LYS H H 1 8.346 0.01 . 1 . . . . 106 LYS H . 15989 1 1380 . 1 1 106 106 LYS HA H 1 4.239 0.01 . 1 . . . . 106 LYS HA . 15989 1 1381 . 1 1 106 106 LYS HB2 H 1 1.782 0.01 . 2 . . . . 106 LYS HB2 . 15989 1 1382 . 1 1 106 106 LYS HB3 H 1 1.782 0.01 . 2 . . . . 106 LYS HB3 . 15989 1 1383 . 1 1 106 106 LYS HD2 H 1 1.66 0.01 . 2 . . . . 106 LYS HD2 . 15989 1 1384 . 1 1 106 106 LYS HD3 H 1 1.66 0.01 . 2 . . . . 106 LYS HD3 . 15989 1 1385 . 1 1 106 106 LYS HE2 H 1 2.965 0.01 . 2 . . . . 106 LYS HE2 . 15989 1 1386 . 1 1 106 106 LYS HE3 H 1 2.965 0.01 . 2 . . . . 106 LYS HE3 . 15989 1 1387 . 1 1 106 106 LYS HG2 H 1 1.435 0.01 . 2 . . . . 106 LYS HG2 . 15989 1 1388 . 1 1 106 106 LYS HG3 H 1 1.435 0.01 . 2 . . . . 106 LYS HG3 . 15989 1 1389 . 1 1 106 106 LYS C C 13 177.022 0.1 . 1 . . . . 106 LYS C . 15989 1 1390 . 1 1 106 106 LYS CA C 13 56.647 0.1 . 1 . . . . 106 LYS CA . 15989 1 1391 . 1 1 106 106 LYS CB C 13 32.481 0.1 . 1 . . . . 106 LYS CB . 15989 1 1392 . 1 1 106 106 LYS CD C 13 28.88 0.1 . 1 . . . . 106 LYS CD . 15989 1 1393 . 1 1 106 106 LYS CE C 13 41.84 0.1 . 1 . . . . 106 LYS CE . 15989 1 1394 . 1 1 106 106 LYS CG C 13 24.69 0.1 . 1 . . . . 106 LYS CG . 15989 1 1395 . 1 1 106 106 LYS N N 15 122.274 0.1 . 1 . . . . 106 LYS N . 15989 1 1396 . 1 1 107 107 SER H H 1 8.243 0.1 . 1 . . . . 107 SER H . 15989 1 1397 . 1 1 107 107 SER HA H 1 4.365 0.1 . 1 . . . . 107 SER HA . 15989 1 1398 . 1 1 107 107 SER HB2 H 1 3.851 0.1 . 2 . . . . 107 SER HB2 . 15989 1 1399 . 1 1 107 107 SER HB3 H 1 3.851 0.1 . 2 . . . . 107 SER HB3 . 15989 1 1400 . 1 1 107 107 SER C C 13 174.735 0.1 . 1 . . . . 107 SER C . 15989 1 1401 . 1 1 107 107 SER CA C 13 58.487 0.1 . 1 . . . . 107 SER CA . 15989 1 1402 . 1 1 107 107 SER CB C 13 63.421 0.1 . 1 . . . . 107 SER CB . 15989 1 1403 . 1 1 107 107 SER N N 15 116.562 0.1 . 1 . . . . 107 SER N . 15989 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15989 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '2D 1H-15N HxNOE' . . . 15989 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $NMRViewJ . . 15989 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 VAL N N 15 . 1 1 2 2 VAL H H 1 0.13946 0.01073 . . . . . . . . . . 15989 1 2 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.53584 0.02760 . . . . . . . . . . 15989 1 3 . 1 1 4 4 PHE N N 15 . 1 1 4 4 PHE H H 1 0.57812 0.00010 . . . . . . . . . . 15989 1 4 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 0.73029 0.00093 . . . . . . . . . . 15989 1 5 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.72191 0.00953 . . . . . . . . . . 15989 1 6 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.70987 0.00945 . . . . . . . . . . 15989 1 7 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.74669 0.00664 . . . . . . . . . . 15989 1 8 . 1 1 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.73424 0.01457 . . . . . . . . . . 15989 1 9 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.71389 0.00921 . . . . . . . . . . 15989 1 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.71977 0.01768 . . . . . . . . . . 15989 1 11 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.75148 0.01077 . . . . . . . . . . 15989 1 12 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 0.72246 0.02432 . . . . . . . . . . 15989 1 13 . 1 1 14 14 GLN N N 15 . 1 1 14 14 GLN H H 1 0.76763 0.01869 . . . . . . . . . . 15989 1 14 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.75451 0.00718 . . . . . . . . . . 15989 1 15 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.71529 0.00624 . . . . . . . . . . 15989 1 16 . 1 1 17 17 MET N N 15 . 1 1 17 17 MET H H 1 0.77398 0.03033 . . . . . . . . . . 15989 1 17 . 1 1 18 18 ARG N N 15 . 1 1 18 18 ARG H H 1 0.74252 0.00654 . . . . . . . . . . 15989 1 18 . 1 1 19 19 TYR N N 15 . 1 1 19 19 TYR H H 1 0.72901 0.00514 . . . . . . . . . . 15989 1 19 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.74228 0.00043 . . . . . . . . . . 15989 1 20 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.69242 0.03857 . . . . . . . . . . 15989 1 21 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.59638 0.00888 . . . . . . . . . . 15989 1 22 . 1 1 24 24 TRP N N 15 . 1 1 24 24 TRP H H 1 0.65553 0.00693 . . . . . . . . . . 15989 1 23 . 1 1 26 26 ARG N N 15 . 1 1 26 26 ARG H H 1 0.75682 0.00229 . . . . . . . . . . 15989 1 24 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.72995 0.01801 . . . . . . . . . . 15989 1 25 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.76450 0.02192 . . . . . . . . . . 15989 1 26 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.76026 0.00667 . . . . . . . . . . 15989 1 27 . 1 1 31 31 MET N N 15 . 1 1 31 31 MET H H 1 0.66968 0.00749 . . . . . . . . . . 15989 1 28 . 1 1 32 32 ILE N N 15 . 1 1 32 32 ILE H H 1 0.64982 0.00685 . . . . . . . . . . 15989 1 29 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.65753 0.00092 . . . . . . . . . . 15989 1 30 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.75307 0.02167 . . . . . . . . . . 15989 1 31 . 1 1 35 35 ASN N N 15 . 1 1 35 35 ASN H H 1 0.76055 0.02866 . . . . . . . . . . 15989 1 32 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.78076 0.01144 . . . . . . . . . . 15989 1 33 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.74507 0.00151 . . . . . . . . . . 15989 1 34 . 1 1 39 39 CYS N N 15 . 1 1 39 39 CYS H H 1 0.77376 0.00355 . . . . . . . . . . 15989 1 35 . 1 1 40 40 ARG N N 15 . 1 1 40 40 ARG H H 1 0.73939 0.00652 . . . . . . . . . . 15989 1 36 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.71875 0.03510 . . . . . . . . . . 15989 1 37 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.59016 0.02928 . . . . . . . . . . 15989 1 38 . 1 1 44 44 ASN N N 15 . 1 1 44 44 ASN H H 1 0.75101 0.02216 . . . . . . . . . . 15989 1 39 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.76050 0.00123 . . . . . . . . . . 15989 1 40 . 1 1 46 46 TYR N N 15 . 1 1 46 46 TYR H H 1 0.76446 0.02724 . . . . . . . . . . 15989 1 41 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.66095 0.02198 . . . . . . . . . . 15989 1 42 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.64964 0.01280 . . . . . . . . . . 15989 1 43 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.61437 0.01254 . . . . . . . . . . 15989 1 44 . 1 1 52 52 ARG N N 15 . 1 1 52 52 ARG H H 1 0.54428 0.01039 . . . . . . . . . . 15989 1 45 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.57090 0.02255 . . . . . . . . . . 15989 1 46 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.50826 0.04409 . . . . . . . . . . 15989 1 47 . 1 1 56 56 TRP N N 15 . 1 1 56 56 TRP H H 1 0.66011 0.00163 . . . . . . . . . . 15989 1 48 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.74899 0.01112 . . . . . . . . . . 15989 1 49 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.76790 0.00918 . . . . . . . . . . 15989 1 50 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.77556 0.04997 . . . . . . . . . . 15989 1 51 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.78834 0.03078 . . . . . . . . . . 15989 1 52 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.75973 0.02466 . . . . . . . . . . 15989 1 53 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.72197 0.02501 . . . . . . . . . . 15989 1 54 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.77177 0.00408 . . . . . . . . . . 15989 1 55 . 1 1 65 65 ASP N N 15 . 1 1 65 65 ASP H H 1 0.70290 0.00721 . . . . . . . . . . 15989 1 56 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.72281 0.00050 . . . . . . . . . . 15989 1 57 . 1 1 67 67 LYS N N 15 . 1 1 67 67 LYS H H 1 0.79464 0.04813 . . . . . . . . . . 15989 1 58 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.75735 0.01327 . . . . . . . . . . 15989 1 59 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.77661 0.01871 . . . . . . . . . . 15989 1 60 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.72742 0.00194 . . . . . . . . . . 15989 1 61 . 1 1 71 71 TYR N N 15 . 1 1 71 71 TYR H H 1 0.73312 0.01282 . . . . . . . . . . 15989 1 62 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.71743 0.01840 . . . . . . . . . . 15989 1 63 . 1 1 74 74 LYS N N 15 . 1 1 74 74 LYS H H 1 0.71973 0.00421 . . . . . . . . . . 15989 1 64 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.73687 0.02471 . . . . . . . . . . 15989 1 65 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.77376 0.01027 . . . . . . . . . . 15989 1 66 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.69558 0.00545 . . . . . . . . . . 15989 1 67 . 1 1 78 78 ILE N N 15 . 1 1 78 78 ILE H H 1 0.72742 0.01121 . . . . . . . . . . 15989 1 68 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.74778 0.00240 . . . . . . . . . . 15989 1 69 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 0.70502 0.00053 . . . . . . . . . . 15989 1 70 . 1 1 81 81 PHE N N 15 . 1 1 81 81 PHE H H 1 0.73699 0.02677 . . . . . . . . . . 15989 1 71 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.68104 0.00882 . . . . . . . . . . 15989 1 72 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.62204 0.01117 . . . . . . . . . . 15989 1 73 . 1 1 85 85 ARG N N 15 . 1 1 85 85 ARG H H 1 0.70250 0.01277 . . . . . . . . . . 15989 1 74 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.77459 0.05946 . . . . . . . . . . 15989 1 75 . 1 1 87 87 ASP N N 15 . 1 1 87 87 ASP H H 1 0.75093 0.01624 . . . . . . . . . . 15989 1 76 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.77451 0.01909 . . . . . . . . . . 15989 1 77 . 1 1 90 90 ILE N N 15 . 1 1 90 90 ILE H H 1 0.75816 0.00844 . . . . . . . . . . 15989 1 78 . 1 1 91 91 ARG N N 15 . 1 1 91 91 ARG H H 1 0.76278 0.01295 . . . . . . . . . . 15989 1 79 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.75869 0.01960 . . . . . . . . . . 15989 1 80 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.75805 0.00038 . . . . . . . . . . 15989 1 81 . 1 1 94 94 TRP N N 15 . 1 1 94 94 TRP H H 1 0.79140 0.02731 . . . . . . . . . . 15989 1 82 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 0.74664 0.01846 . . . . . . . . . . 15989 1 83 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.73606 0.00807 . . . . . . . . . . 15989 1 84 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.70779 0.01851 . . . . . . . . . . 15989 1 85 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.69356 0.01853 . . . . . . . . . . 15989 1 86 . 1 1 100 100 HIS N N 15 . 1 1 100 100 HIS H H 1 0.69160 0.00087 . . . . . . . . . . 15989 1 87 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.56048 0.01954 . . . . . . . . . . 15989 1 88 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.51644 0.07748 . . . . . . . . . . 15989 1 89 . 1 1 104 104 HIS N N 15 . 1 1 104 104 HIS H H 1 0.48573 0.03692 . . . . . . . . . . 15989 1 90 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.21705 0.05670 . . . . . . . . . . 15989 1 91 . 1 1 106 106 LYS N N 15 . 1 1 106 106 LYS H H 1 0.12609 0.00765 . . . . . . . . . . 15989 1 92 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.08008 0.00906 . . . . . . . . . . 15989 1 stop_ save_