data_15787 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15787 _Entry.Title ; 1H and 15N chemical shift assignments for HINT1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-29 _Entry.Accession_date 2008-05-29 _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 Michael Shapiro . J. . 15787 2 Guoyun Bai . . . 15787 3 Bo Feng . . . 15787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 347 15787 '15N chemical shifts' 116 15787 '1H chemical shifts' 116 15787 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-14 2008-05-29 update BMRB 'added PubMed ID' 15787 2 . . 2009-05-22 2008-05-29 update BMRB 'complete entry citation' 15787 1 . . 2009-01-28 2008-05-29 original author 'original release' 15787 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636947 _Citation.Full_citation . _Citation.Title 'Backbone assignment of HINT1 protein, a mouse histidine triad nucleotide binding protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 59 _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 Guoyun Bai . . . 15787 1 2 Bo Feng . . . 15787 1 3 'Jia Bei' Wang . . . 15787 1 4 Kristen Varney . M. . 15787 1 5 Michael Shapiro . . . 15787 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 15787 1 HINT 15787 1 NMR 15787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15787 _Assembly.ID 1 _Assembly.Name HINT1 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 HINT1 1 $HINT1 A . yes native no no . . . 15787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HINT1 _Entity.Sf_category entity _Entity.Sf_framecode HINT1 _Entity.Entry_ID 15787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HINT1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADEIAKAQVAQPGGDTIFG KIIRKEIPAKIIFEDDRCLA FHDISPQAPTHFLVIPKKHI SQISVADDDDESLLGHLMIV GKKCAADLGLKRGYRMVVNE GADGGQSVYHIHLHVLGGRQ MNWPPG ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 DBJ BAB22484 . "unnamed protein product [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 2 no DBJ BAB28235 . "unnamed protein product [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 3 no GB AAC71076 . "protein kinase C inhibitor [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 4 no GB AAH70415 . "Histidine triad nucleotide binding protein 1 [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 5 no GB AAH80296 . "Histidine triad nucleotide binding protein 1 [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 6 no GB AAI68732 . "Histidine triad nucleotide binding protein 1 [Rattus norvegicus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 7 no GB EDL33521 . "mCG1442, isoform CRA_b [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 8 no REF NP_001103077 . "histidine triad nucleotide-binding protein 1 [Rattus norvegicus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 9 no REF NP_032274 . "histidine triad nucleotide-binding protein 1 [Mus musculus]" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 10 no REF XP_005350115 . "PREDICTED: histidine triad nucleotide-binding protein 1 [Microtus ochrogaster]" . . . . . 100.00 126 97.62 99.21 5.13e-84 . . . . 15787 1 11 no SP P62959 . "RecName: Full=Histidine triad nucleotide-binding protein 1; AltName: Full=17 kDa inhibitor of protein kinase C; AltName: Full=A" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 12 no SP P70349 . "RecName: Full=Histidine triad nucleotide-binding protein 1; AltName: Full=Adenosine 5'-monophosphoramidase; AltName: Full=Prote" . . . . . 100.00 126 100.00 100.00 1.20e-85 . . . . 15787 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15787 1 2 . ALA . 15787 1 3 . ASP . 15787 1 4 . GLU . 15787 1 5 . ILE . 15787 1 6 . ALA . 15787 1 7 . LYS . 15787 1 8 . ALA . 15787 1 9 . GLN . 15787 1 10 . VAL . 15787 1 11 . ALA . 15787 1 12 . GLN . 15787 1 13 . PRO . 15787 1 14 . GLY . 15787 1 15 . GLY . 15787 1 16 . ASP . 15787 1 17 . THR . 15787 1 18 . ILE . 15787 1 19 . PHE . 15787 1 20 . GLY . 15787 1 21 . LYS . 15787 1 22 . ILE . 15787 1 23 . ILE . 15787 1 24 . ARG . 15787 1 25 . LYS . 15787 1 26 . GLU . 15787 1 27 . ILE . 15787 1 28 . PRO . 15787 1 29 . ALA . 15787 1 30 . LYS . 15787 1 31 . ILE . 15787 1 32 . ILE . 15787 1 33 . PHE . 15787 1 34 . GLU . 15787 1 35 . ASP . 15787 1 36 . ASP . 15787 1 37 . ARG . 15787 1 38 . CYS . 15787 1 39 . LEU . 15787 1 40 . ALA . 15787 1 41 . PHE . 15787 1 42 . HIS . 15787 1 43 . ASP . 15787 1 44 . ILE . 15787 1 45 . SER . 15787 1 46 . PRO . 15787 1 47 . GLN . 15787 1 48 . ALA . 15787 1 49 . PRO . 15787 1 50 . THR . 15787 1 51 . HIS . 15787 1 52 . PHE . 15787 1 53 . LEU . 15787 1 54 . VAL . 15787 1 55 . ILE . 15787 1 56 . PRO . 15787 1 57 . LYS . 15787 1 58 . LYS . 15787 1 59 . HIS . 15787 1 60 . ILE . 15787 1 61 . SER . 15787 1 62 . GLN . 15787 1 63 . ILE . 15787 1 64 . SER . 15787 1 65 . VAL . 15787 1 66 . ALA . 15787 1 67 . ASP . 15787 1 68 . ASP . 15787 1 69 . ASP . 15787 1 70 . ASP . 15787 1 71 . GLU . 15787 1 72 . SER . 15787 1 73 . LEU . 15787 1 74 . LEU . 15787 1 75 . GLY . 15787 1 76 . HIS . 15787 1 77 . LEU . 15787 1 78 . MET . 15787 1 79 . ILE . 15787 1 80 . VAL . 15787 1 81 . GLY . 15787 1 82 . LYS . 15787 1 83 . LYS . 15787 1 84 . CYS . 15787 1 85 . ALA . 15787 1 86 . ALA . 15787 1 87 . ASP . 15787 1 88 . LEU . 15787 1 89 . GLY . 15787 1 90 . LEU . 15787 1 91 . LYS . 15787 1 92 . ARG . 15787 1 93 . GLY . 15787 1 94 . TYR . 15787 1 95 . ARG . 15787 1 96 . MET . 15787 1 97 . VAL . 15787 1 98 . VAL . 15787 1 99 . ASN . 15787 1 100 . GLU . 15787 1 101 . GLY . 15787 1 102 . ALA . 15787 1 103 . ASP . 15787 1 104 . GLY . 15787 1 105 . GLY . 15787 1 106 . GLN . 15787 1 107 . SER . 15787 1 108 . VAL . 15787 1 109 . TYR . 15787 1 110 . HIS . 15787 1 111 . ILE . 15787 1 112 . HIS . 15787 1 113 . LEU . 15787 1 114 . HIS . 15787 1 115 . VAL . 15787 1 116 . LEU . 15787 1 117 . GLY . 15787 1 118 . GLY . 15787 1 119 . ARG . 15787 1 120 . GLN . 15787 1 121 . MET . 15787 1 122 . ASN . 15787 1 123 . TRP . 15787 1 124 . PRO . 15787 1 125 . PRO . 15787 1 126 . GLY . 15787 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15787 1 . ALA 2 2 15787 1 . ASP 3 3 15787 1 . GLU 4 4 15787 1 . ILE 5 5 15787 1 . ALA 6 6 15787 1 . LYS 7 7 15787 1 . ALA 8 8 15787 1 . GLN 9 9 15787 1 . VAL 10 10 15787 1 . ALA 11 11 15787 1 . GLN 12 12 15787 1 . PRO 13 13 15787 1 . GLY 14 14 15787 1 . GLY 15 15 15787 1 . ASP 16 16 15787 1 . THR 17 17 15787 1 . ILE 18 18 15787 1 . PHE 19 19 15787 1 . GLY 20 20 15787 1 . LYS 21 21 15787 1 . ILE 22 22 15787 1 . ILE 23 23 15787 1 . ARG 24 24 15787 1 . LYS 25 25 15787 1 . GLU 26 26 15787 1 . ILE 27 27 15787 1 . PRO 28 28 15787 1 . ALA 29 29 15787 1 . LYS 30 30 15787 1 . ILE 31 31 15787 1 . ILE 32 32 15787 1 . PHE 33 33 15787 1 . GLU 34 34 15787 1 . ASP 35 35 15787 1 . ASP 36 36 15787 1 . ARG 37 37 15787 1 . CYS 38 38 15787 1 . LEU 39 39 15787 1 . ALA 40 40 15787 1 . PHE 41 41 15787 1 . HIS 42 42 15787 1 . ASP 43 43 15787 1 . ILE 44 44 15787 1 . SER 45 45 15787 1 . PRO 46 46 15787 1 . GLN 47 47 15787 1 . ALA 48 48 15787 1 . PRO 49 49 15787 1 . THR 50 50 15787 1 . HIS 51 51 15787 1 . PHE 52 52 15787 1 . LEU 53 53 15787 1 . VAL 54 54 15787 1 . ILE 55 55 15787 1 . PRO 56 56 15787 1 . LYS 57 57 15787 1 . LYS 58 58 15787 1 . HIS 59 59 15787 1 . ILE 60 60 15787 1 . SER 61 61 15787 1 . GLN 62 62 15787 1 . ILE 63 63 15787 1 . SER 64 64 15787 1 . VAL 65 65 15787 1 . ALA 66 66 15787 1 . ASP 67 67 15787 1 . ASP 68 68 15787 1 . ASP 69 69 15787 1 . ASP 70 70 15787 1 . GLU 71 71 15787 1 . SER 72 72 15787 1 . LEU 73 73 15787 1 . LEU 74 74 15787 1 . GLY 75 75 15787 1 . HIS 76 76 15787 1 . LEU 77 77 15787 1 . MET 78 78 15787 1 . ILE 79 79 15787 1 . VAL 80 80 15787 1 . GLY 81 81 15787 1 . LYS 82 82 15787 1 . LYS 83 83 15787 1 . CYS 84 84 15787 1 . ALA 85 85 15787 1 . ALA 86 86 15787 1 . ASP 87 87 15787 1 . LEU 88 88 15787 1 . GLY 89 89 15787 1 . LEU 90 90 15787 1 . LYS 91 91 15787 1 . ARG 92 92 15787 1 . GLY 93 93 15787 1 . TYR 94 94 15787 1 . ARG 95 95 15787 1 . MET 96 96 15787 1 . VAL 97 97 15787 1 . VAL 98 98 15787 1 . ASN 99 99 15787 1 . GLU 100 100 15787 1 . GLY 101 101 15787 1 . ALA 102 102 15787 1 . ASP 103 103 15787 1 . GLY 104 104 15787 1 . GLY 105 105 15787 1 . GLN 106 106 15787 1 . SER 107 107 15787 1 . VAL 108 108 15787 1 . TYR 109 109 15787 1 . HIS 110 110 15787 1 . ILE 111 111 15787 1 . HIS 112 112 15787 1 . LEU 113 113 15787 1 . HIS 114 114 15787 1 . VAL 115 115 15787 1 . LEU 116 116 15787 1 . GLY 117 117 15787 1 . GLY 118 118 15787 1 . ARG 119 119 15787 1 . GLN 120 120 15787 1 . MET 121 121 15787 1 . ASN 122 122 15787 1 . TRP 123 123 15787 1 . PRO 124 124 15787 1 . PRO 125 125 15787 1 . GLY 126 126 15787 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 15787 _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 $HINT1 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15787 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 15787 _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 $HINT1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a(+) . . . . . . 15787 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15787 _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 HINT1 '[U-98% 13C; U-98% 15N]' . . 1 $HINT1 . . 0.2 . . mM . . . . 15787 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 15787 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15787 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15787 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15787 1 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 15787 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15787 1 pH 7.3 . pH 15787 1 pressure 1 . atm 15787 1 temperature 298 . K 15787 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15787 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 15787 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15787 1 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 15787 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15787 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15787 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15787 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15787 1 2 spectrometer_2 Bruker DMX . 600 . . . 15787 1 3 spectrometer_3 Varian Unity . 500 . . . 15787 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 15787 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15787 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15787 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15787 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15787 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15787 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 15787 _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 . . . . . . . . . 15787 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15787 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15787 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 15787 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15787 1 2 '3D CBCA(CO)NH' . . . 15787 1 3 '3D HNCA' . . . 15787 1 4 '3D HNCACB' . . . 15787 1 5 '3D HN(CO)CA' . . . 15787 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.17 . . 1 . . . . 1 MET H . 15787 1 2 . 1 1 1 1 MET C C 13 175.2 . . 1 . . . . 1 MET C . 15787 1 3 . 1 1 1 1 MET CA C 13 54.7 . . 1 . . . . 1 MET CA . 15787 1 4 . 1 1 1 1 MET CB C 13 32.5 . . 1 . . . . 1 MET CB . 15787 1 5 . 1 1 1 1 MET N N 15 123.3 . . 1 . . . . 1 MET N . 15787 1 6 . 1 1 2 2 ALA H H 1 8.17 . . 1 . . . . 2 ALA H . 15787 1 7 . 1 1 2 2 ALA C C 13 175.6 . . 1 . . . . 2 ALA C . 15787 1 8 . 1 1 2 2 ALA CA C 13 52.8 . . 1 . . . . 2 ALA CA . 15787 1 9 . 1 1 2 2 ALA CB C 13 18.8 . . 1 . . . . 2 ALA CB . 15787 1 10 . 1 1 2 2 ALA N N 15 125.7 . . 1 . . . . 2 ALA N . 15787 1 11 . 1 1 3 3 ASP H H 1 8.29 . . 1 . . . . 3 ASP H . 15787 1 12 . 1 1 3 3 ASP C C 13 175.6 . . 1 . . . . 3 ASP C . 15787 1 13 . 1 1 3 3 ASP CA C 13 54.6 . . 1 . . . . 3 ASP CA . 15787 1 14 . 1 1 3 3 ASP CB C 13 40.9 . . 1 . . . . 3 ASP CB . 15787 1 15 . 1 1 3 3 ASP N N 15 120.0 . . 1 . . . . 3 ASP N . 15787 1 16 . 1 1 4 4 GLU H H 1 8.22 . . 1 . . . . 4 GLU H . 15787 1 17 . 1 1 4 4 GLU C C 13 175.7 . . 1 . . . . 4 GLU C . 15787 1 18 . 1 1 4 4 GLU CA C 13 57.1 . . 1 . . . . 4 GLU CA . 15787 1 19 . 1 1 4 4 GLU CB C 13 29.6 . . 1 . . . . 4 GLU CB . 15787 1 20 . 1 1 4 4 GLU N N 15 121.3 . . 1 . . . . 4 GLU N . 15787 1 21 . 1 1 5 5 ILE H H 1 8.00 . . 1 . . . . 5 ILE H . 15787 1 22 . 1 1 5 5 ILE C C 13 176.6 . . 1 . . . . 5 ILE C . 15787 1 23 . 1 1 5 5 ILE CA C 13 61.8 . . 1 . . . . 5 ILE CA . 15787 1 24 . 1 1 5 5 ILE CB C 13 37.8 . . 1 . . . . 5 ILE CB . 15787 1 25 . 1 1 5 5 ILE N N 15 122.1 . . 1 . . . . 5 ILE N . 15787 1 26 . 1 1 6 6 ALA H H 1 8.13 . . 1 . . . . 6 ALA H . 15787 1 27 . 1 1 6 6 ALA C C 13 174.9 . . 1 . . . . 6 ALA C . 15787 1 28 . 1 1 6 6 ALA CA C 13 52.8 . . 1 . . . . 6 ALA CA . 15787 1 29 . 1 1 6 6 ALA CB C 13 18.6 . . 1 . . . . 6 ALA CB . 15787 1 30 . 1 1 6 6 ALA N N 15 126.6 . . 1 . . . . 6 ALA N . 15787 1 31 . 1 1 7 7 LYS H H 1 8.02 . . 1 . . . . 7 LYS H . 15787 1 32 . 1 1 7 7 LYS C C 13 174.8 . . 1 . . . . 7 LYS C . 15787 1 33 . 1 1 7 7 LYS CA C 13 56.4 . . 1 . . . . 7 LYS CA . 15787 1 34 . 1 1 7 7 LYS CB C 13 32.7 . . 1 . . . . 7 LYS CB . 15787 1 35 . 1 1 7 7 LYS N N 15 120.2 . . 1 . . . . 7 LYS N . 15787 1 36 . 1 1 8 8 ALA H H 1 8.00 . . 1 . . . . 8 ALA H . 15787 1 37 . 1 1 8 8 ALA C C 13 176.8 . . 1 . . . . 8 ALA C . 15787 1 38 . 1 1 8 8 ALA CA C 13 52.3 . . 1 . . . . 8 ALA CA . 15787 1 39 . 1 1 8 8 ALA CB C 13 18.8 . . 1 . . . . 8 ALA CB . 15787 1 40 . 1 1 8 8 ALA N N 15 124.5 . . 1 . . . . 8 ALA N . 15787 1 41 . 1 1 9 9 GLN H H 1 8.16 . . 1 . . . . 9 GLN H . 15787 1 42 . 1 1 9 9 GLN C C 13 175.6 . . 1 . . . . 9 GLN C . 15787 1 43 . 1 1 9 9 GLN CA C 13 55.5 . . 1 . . . . 9 GLN CA . 15787 1 44 . 1 1 9 9 GLN CB C 13 29.1 . . 1 . . . . 9 GLN CB . 15787 1 45 . 1 1 9 9 GLN N N 15 119.9 . . 1 . . . . 9 GLN N . 15787 1 46 . 1 1 10 10 VAL H H 1 7.98 . . 1 . . . . 10 VAL H . 15787 1 47 . 1 1 10 10 VAL C C 13 175.6 . . 1 . . . . 10 VAL C . 15787 1 48 . 1 1 10 10 VAL CA C 13 61.8 . . 1 . . . . 10 VAL CA . 15787 1 49 . 1 1 10 10 VAL CB C 13 32.5 . . 1 . . . . 10 VAL CB . 15787 1 50 . 1 1 10 10 VAL N N 15 121.4 . . 1 . . . . 10 VAL N . 15787 1 51 . 1 1 11 11 ALA H H 1 8.31 . . 1 . . . . 11 ALA H . 15787 1 52 . 1 1 11 11 ALA C C 13 176.9 . . 1 . . . . 11 ALA C . 15787 1 53 . 1 1 11 11 ALA CA C 13 51.9 . . 1 . . . . 11 ALA CA . 15787 1 54 . 1 1 11 11 ALA CB C 13 19.0 . . 1 . . . . 11 ALA CB . 15787 1 55 . 1 1 11 11 ALA N N 15 128.5 . . 1 . . . . 11 ALA N . 15787 1 56 . 1 1 12 12 GLN H H 1 8.48 . . 1 . . . . 12 GLN H . 15787 1 57 . 1 1 12 12 GLN CA C 13 53.1 . . 1 . . . . 12 GLN CA . 15787 1 58 . 1 1 12 12 GLN CB C 13 29.1 . . 1 . . . . 12 GLN CB . 15787 1 59 . 1 1 12 12 GLN N N 15 121.9 . . 1 . . . . 12 GLN N . 15787 1 60 . 1 1 13 13 PRO C C 13 176.9 . . 1 . . . . 13 PRO C . 15787 1 61 . 1 1 13 13 PRO CA C 13 63.5 . . 1 . . . . 13 PRO CA . 15787 1 62 . 1 1 13 13 PRO CB C 13 31.2 . . 1 . . . . 13 PRO CB . 15787 1 63 . 1 1 14 14 GLY H H 1 8.83 . . 1 . . . . 14 GLY H . 15787 1 64 . 1 1 14 14 GLY C C 13 173.9 . . 1 . . . . 14 GLY C . 15787 1 65 . 1 1 14 14 GLY CA C 13 45.2 . . 1 . . . . 14 GLY CA . 15787 1 66 . 1 1 14 14 GLY N N 15 112.0 . . 1 . . . . 14 GLY N . 15787 1 67 . 1 1 15 15 GLY H H 1 8.15 . . 1 . . . . 15 GLY H . 15787 1 68 . 1 1 15 15 GLY C C 13 173.6 . . 1 . . . . 15 GLY C . 15787 1 69 . 1 1 15 15 GLY CA C 13 44.8 . . 1 . . . . 15 GLY CA . 15787 1 70 . 1 1 15 15 GLY N N 15 107.4 . . 1 . . . . 15 GLY N . 15787 1 71 . 1 1 16 16 ASP H H 1 8.10 . . 1 . . . . 16 ASP H . 15787 1 72 . 1 1 16 16 ASP C C 13 176.4 . . 1 . . . . 16 ASP C . 15787 1 73 . 1 1 16 16 ASP CA C 13 53.4 . . 1 . . . . 16 ASP CA . 15787 1 74 . 1 1 16 16 ASP CB C 13 40.9 . . 1 . . . . 16 ASP CB . 15787 1 75 . 1 1 16 16 ASP N N 15 118.9 . . 1 . . . . 16 ASP N . 15787 1 76 . 1 1 17 17 THR H H 1 7.62 . . 1 . . . . 17 THR H . 15787 1 77 . 1 1 17 17 THR CA C 13 60.8 . . 1 . . . . 17 THR CA . 15787 1 78 . 1 1 17 17 THR CB C 13 73.0 . . 1 . . . . 17 THR CB . 15787 1 79 . 1 1 17 17 THR N N 15 110.2 . . 1 . . . . 17 THR N . 15787 1 80 . 1 1 18 18 ILE C C 13 176.3 . . 1 . . . . 18 ILE C . 15787 1 81 . 1 1 18 18 ILE CA C 13 63.0 . . 1 . . . . 18 ILE CA . 15787 1 82 . 1 1 18 18 ILE CB C 13 38.1 . . 1 . . . . 18 ILE CB . 15787 1 83 . 1 1 19 19 PHE H H 1 7.29 . . 1 . . . . 19 PHE H . 15787 1 84 . 1 1 19 19 PHE C C 13 177.8 . . 1 . . . . 19 PHE C . 15787 1 85 . 1 1 19 19 PHE CA C 13 56.1 . . 1 . . . . 19 PHE CA . 15787 1 86 . 1 1 19 19 PHE CB C 13 34.1 . . 1 . . . . 19 PHE CB . 15787 1 87 . 1 1 19 19 PHE N N 15 119.9 . . 1 . . . . 19 PHE N . 15787 1 88 . 1 1 20 20 GLY H H 1 7.73 . . 1 . . . . 20 GLY H . 15787 1 89 . 1 1 20 20 GLY C C 13 175.0 . . 1 . . . . 20 GLY C . 15787 1 90 . 1 1 20 20 GLY CA C 13 47.2 . . 1 . . . . 20 GLY CA . 15787 1 91 . 1 1 20 20 GLY N N 15 111.2 . . 1 . . . . 20 GLY N . 15787 1 92 . 1 1 21 21 LYS H H 1 7.13 . . 1 . . . . 21 LYS H . 15787 1 93 . 1 1 21 21 LYS C C 13 178.5 . . 1 . . . . 21 LYS C . 15787 1 94 . 1 1 21 21 LYS CA C 13 59.2 . . 1 . . . . 21 LYS CA . 15787 1 95 . 1 1 21 21 LYS CB C 13 32.2 . . 1 . . . . 21 LYS CB . 15787 1 96 . 1 1 21 21 LYS N N 15 119.8 . . 1 . . . . 21 LYS N . 15787 1 97 . 1 1 22 22 ILE H H 1 7.43 . . 1 . . . . 22 ILE H . 15787 1 98 . 1 1 22 22 ILE C C 13 179.6 . . 1 . . . . 22 ILE C . 15787 1 99 . 1 1 22 22 ILE CA C 13 65.0 . . 1 . . . . 22 ILE CA . 15787 1 100 . 1 1 22 22 ILE CB C 13 37.6 . . 1 . . . . 22 ILE CB . 15787 1 101 . 1 1 22 22 ILE N N 15 121.6 . . 1 . . . . 22 ILE N . 15787 1 102 . 1 1 23 23 ILE H H 1 8.35 . . 1 . . . . 23 ILE H . 15787 1 103 . 1 1 23 23 ILE C C 13 176.9 . . 1 . . . . 23 ILE C . 15787 1 104 . 1 1 23 23 ILE CA C 13 65.2 . . 1 . . . . 23 ILE CA . 15787 1 105 . 1 1 23 23 ILE CB C 13 37.8 . . 1 . . . . 23 ILE CB . 15787 1 106 . 1 1 23 23 ILE N N 15 123.8 . . 1 . . . . 23 ILE N . 15787 1 107 . 1 1 24 24 ARG H H 1 7.74 . . 1 . . . . 24 ARG H . 15787 1 108 . 1 1 24 24 ARG C C 13 174.5 . . 1 . . . . 24 ARG C . 15787 1 109 . 1 1 24 24 ARG CA C 13 56.6 . . 1 . . . . 24 ARG CA . 15787 1 110 . 1 1 24 24 ARG CB C 13 30.9 . . 1 . . . . 24 ARG CB . 15787 1 111 . 1 1 24 24 ARG N N 15 115.8 . . 1 . . . . 24 ARG N . 15787 1 112 . 1 1 25 25 LYS H H 1 7.83 . . 1 . . . . 25 LYS H . 15787 1 113 . 1 1 25 25 LYS C C 13 176.0 . . 1 . . . . 25 LYS C . 15787 1 114 . 1 1 25 25 LYS CA C 13 56.1 . . 1 . . . . 25 LYS CA . 15787 1 115 . 1 1 25 25 LYS CB C 13 27.5 . . 1 . . . . 25 LYS CB . 15787 1 116 . 1 1 25 25 LYS N N 15 115.2 . . 1 . . . . 25 LYS N . 15787 1 117 . 1 1 26 26 GLU H H 1 8.58 . . 1 . . . . 26 GLU H . 15787 1 118 . 1 1 26 26 GLU C C 13 176.7 . . 1 . . . . 26 GLU C . 15787 1 119 . 1 1 26 26 GLU CA C 13 56.8 . . 1 . . . . 26 GLU CA . 15787 1 120 . 1 1 26 26 GLU CB C 13 30.5 . . 1 . . . . 26 GLU CB . 15787 1 121 . 1 1 26 26 GLU N N 15 118.3 . . 1 . . . . 26 GLU N . 15787 1 122 . 1 1 27 27 ILE H H 1 6.89 . . 1 . . . . 27 ILE H . 15787 1 123 . 1 1 27 27 ILE CA C 13 56.7 . . 1 . . . . 27 ILE CA . 15787 1 124 . 1 1 27 27 ILE CB C 13 39.9 . . 1 . . . . 27 ILE CB . 15787 1 125 . 1 1 27 27 ILE N N 15 115.2 . . 1 . . . . 27 ILE N . 15787 1 126 . 1 1 28 28 PRO C C 13 174.8 . . 1 . . . . 28 PRO C . 15787 1 127 . 1 1 28 28 PRO CA C 13 62.28 . . 1 . . . . 28 PRO CA . 15787 1 128 . 1 1 28 28 PRO CB C 13 32.0 . . 1 . . . . 28 PRO CB . 15787 1 129 . 1 1 29 29 ALA H H 1 7.72 . . 1 . . . . 29 ALA H . 15787 1 130 . 1 1 29 29 ALA C C 13 175.4 . . 1 . . . . 29 ALA C . 15787 1 131 . 1 1 29 29 ALA CA C 13 50.7 . . 1 . . . . 29 ALA CA . 15787 1 132 . 1 1 29 29 ALA CB C 13 22.3 . . 1 . . . . 29 ALA CB . 15787 1 133 . 1 1 29 29 ALA N N 15 121.5 . . 1 . . . . 29 ALA N . 15787 1 134 . 1 1 30 30 LYS H H 1 9.11 . . 1 . . . . 30 LYS H . 15787 1 135 . 1 1 30 30 LYS C C 13 176.2 . . 1 . . . . 30 LYS C . 15787 1 136 . 1 1 30 30 LYS CA C 13 55.0 . . 1 . . . . 30 LYS CA . 15787 1 137 . 1 1 30 30 LYS CB C 13 31.3 . . 1 . . . . 30 LYS CB . 15787 1 138 . 1 1 30 30 LYS N N 15 123.7 . . 1 . . . . 30 LYS N . 15787 1 139 . 1 1 31 31 ILE H H 1 8.02 . . 1 . . . . 31 ILE H . 15787 1 140 . 1 1 31 31 ILE C C 13 171.3 . . 1 . . . . 31 ILE C . 15787 1 141 . 1 1 31 31 ILE CA C 13 61.9 . . 1 . . . . 31 ILE CA . 15787 1 142 . 1 1 31 31 ILE CB C 13 38.2 . . 1 . . . . 31 ILE CB . 15787 1 143 . 1 1 31 31 ILE N N 15 126.2 . . 1 . . . . 31 ILE N . 15787 1 144 . 1 1 32 32 ILE H H 1 9.03 . . 1 . . . . 32 ILE H . 15787 1 145 . 1 1 32 32 ILE C C 13 174.6 . . 1 . . . . 32 ILE C . 15787 1 146 . 1 1 32 32 ILE CA C 13 61.5 . . 1 . . . . 32 ILE CA . 15787 1 147 . 1 1 32 32 ILE CB C 13 40.3 . . 1 . . . . 32 ILE CB . 15787 1 148 . 1 1 32 32 ILE N N 15 127.0 . . 1 . . . . 32 ILE N . 15787 1 149 . 1 1 33 33 PHE H H 1 7.52 . . 1 . . . . 33 PHE H . 15787 1 150 . 1 1 33 33 PHE C C 13 171.4 . . 1 . . . . 33 PHE C . 15787 1 151 . 1 1 33 33 PHE CA C 13 57.6 . . 1 . . . . 33 PHE CA . 15787 1 152 . 1 1 33 33 PHE CB C 13 43.2 . . 1 . . . . 33 PHE CB . 15787 1 153 . 1 1 33 33 PHE N N 15 121.0 . . 1 . . . . 33 PHE N . 15787 1 154 . 1 1 34 34 GLU H H 1 7.47 . . 1 . . . . 34 GLU H . 15787 1 155 . 1 1 34 34 GLU C C 13 172.9 . . 1 . . . . 34 GLU C . 15787 1 156 . 1 1 34 34 GLU CA C 13 55.5 . . 1 . . . . 34 GLU CA . 15787 1 157 . 1 1 34 34 GLU CB C 13 32.5 . . 1 . . . . 34 GLU CB . 15787 1 158 . 1 1 34 34 GLU N N 15 128.4 . . 1 . . . . 34 GLU N . 15787 1 159 . 1 1 35 35 ASP H H 1 8.73 . . 1 . . . . 35 ASP H . 15787 1 160 . 1 1 35 35 ASP C C 13 175.6 . . 1 . . . . 35 ASP C . 15787 1 161 . 1 1 35 35 ASP CA C 13 52.4 . . 1 . . . . 35 ASP CA . 15787 1 162 . 1 1 35 35 ASP CB C 13 40.85 . . 1 . . . . 35 ASP CB . 15787 1 163 . 1 1 35 35 ASP N N 15 126.1 . . 1 . . . . 35 ASP N . 15787 1 164 . 1 1 36 36 ASP H H 1 8.18 . . 1 . . . . 36 ASP H . 15787 1 165 . 1 1 36 36 ASP C C 13 176.2 . . 1 . . . . 36 ASP C . 15787 1 166 . 1 1 36 36 ASP CA C 13 55.7 . . 1 . . . . 36 ASP CA . 15787 1 167 . 1 1 36 36 ASP CB C 13 39.9 . . 1 . . . . 36 ASP CB . 15787 1 168 . 1 1 36 36 ASP N N 15 121.5 . . 1 . . . . 36 ASP N . 15787 1 169 . 1 1 37 37 ARG H H 1 8.85 . . 1 . . . . 37 ARG H . 15787 1 170 . 1 1 37 37 ARG C C 13 177.1 . . 1 . . . . 37 ARG C . 15787 1 171 . 1 1 37 37 ARG CA C 13 56.4 . . 1 . . . . 37 ARG CA . 15787 1 172 . 1 1 37 37 ARG CB C 13 34.4 . . 1 . . . . 37 ARG CB . 15787 1 173 . 1 1 37 37 ARG N N 15 117.4 . . 1 . . . . 37 ARG N . 15787 1 174 . 1 1 38 38 CYS H H 1 9.02 . . 1 . . . . 38 CYS H . 15787 1 175 . 1 1 38 38 CYS C C 13 169.1 . . 1 . . . . 38 CYS C . 15787 1 176 . 1 1 38 38 CYS CA C 13 57.3 . . 1 . . . . 38 CYS CA . 15787 1 177 . 1 1 38 38 CYS CB C 13 31.7 . . 1 . . . . 38 CYS CB . 15787 1 178 . 1 1 38 38 CYS N N 15 121.0 . . 1 . . . . 38 CYS N . 15787 1 179 . 1 1 39 39 LEU H H 1 8.79 . . 1 . . . . 39 LEU H . 15787 1 180 . 1 1 39 39 LEU C C 13 173.1 . . 1 . . . . 39 LEU C . 15787 1 181 . 1 1 39 39 LEU CA C 13 54.5 . . 1 . . . . 39 LEU CA . 15787 1 182 . 1 1 39 39 LEU CB C 13 47.1 . . 1 . . . . 39 LEU CB . 15787 1 183 . 1 1 39 39 LEU N N 15 118.7 . . 1 . . . . 39 LEU N . 15787 1 184 . 1 1 40 40 ALA H H 1 9.23 . . 1 . . . . 40 ALA H . 15787 1 185 . 1 1 40 40 ALA C C 13 176.6 . . 1 . . . . 40 ALA C . 15787 1 186 . 1 1 40 40 ALA CA C 13 49.3 . . 1 . . . . 40 ALA CA . 15787 1 187 . 1 1 40 40 ALA CB C 13 24.0 . . 1 . . . . 40 ALA CB . 15787 1 188 . 1 1 40 40 ALA N N 15 125.1 . . 1 . . . . 40 ALA N . 15787 1 189 . 1 1 41 41 PHE H H 1 8.72 . . 1 . . . . 41 PHE H . 15787 1 190 . 1 1 41 41 PHE C C 13 175.3 . . 1 . . . . 41 PHE C . 15787 1 191 . 1 1 41 41 PHE CA C 13 55.0 . . 1 . . . . 41 PHE CA . 15787 1 192 . 1 1 41 41 PHE CB C 13 41.4 . . 1 . . . . 41 PHE CB . 15787 1 193 . 1 1 41 41 PHE N N 15 119.6 . . 1 . . . . 41 PHE N . 15787 1 194 . 1 1 42 42 HIS H H 1 8.10 . . 1 . . . . 42 HIS H . 15787 1 195 . 1 1 42 42 HIS C C 13 175.1 . . 1 . . . . 42 HIS C . 15787 1 196 . 1 1 42 42 HIS CA C 13 58.2 . . 1 . . . . 42 HIS CA . 15787 1 197 . 1 1 42 42 HIS CB C 13 32.0 . . 1 . . . . 42 HIS CB . 15787 1 198 . 1 1 42 42 HIS N N 15 120.5 . . 1 . . . . 42 HIS N . 15787 1 199 . 1 1 43 43 ASP H H 1 8.59 . . 1 . . . . 43 ASP H . 15787 1 200 . 1 1 43 43 ASP C C 13 176.0 . . 1 . . . . 43 ASP C . 15787 1 201 . 1 1 43 43 ASP CA C 13 55.4 . . 1 . . . . 43 ASP CA . 15787 1 202 . 1 1 43 43 ASP CB C 13 42.6 . . 1 . . . . 43 ASP CB . 15787 1 203 . 1 1 43 43 ASP N N 15 123.8 . . 1 . . . . 43 ASP N . 15787 1 204 . 1 1 44 44 ILE H H 1 8.15 . . 1 . . . . 44 ILE H . 15787 1 205 . 1 1 44 44 ILE C C 13 175.8 . . 1 . . . . 44 ILE C . 15787 1 206 . 1 1 44 44 ILE CA C 13 62.5 . . 1 . . . . 44 ILE CA . 15787 1 207 . 1 1 44 44 ILE CB C 13 38.6 . . 1 . . . . 44 ILE CB . 15787 1 208 . 1 1 44 44 ILE N N 15 122.4 . . 1 . . . . 44 ILE N . 15787 1 209 . 1 1 45 45 SER H H 1 9.43 . . 1 . . . . 45 SER H . 15787 1 210 . 1 1 45 45 SER CA C 13 54.0 . . 1 . . . . 45 SER CA . 15787 1 211 . 1 1 45 45 SER CB C 13 62.2 . . 1 . . . . 45 SER CB . 15787 1 212 . 1 1 45 45 SER N N 15 121.2 . . 1 . . . . 45 SER N . 15787 1 213 . 1 1 46 46 PRO C C 13 175.3 . . 1 . . . . 46 PRO C . 15787 1 214 . 1 1 46 46 PRO CA C 13 62.0 . . 1 . . . . 46 PRO CA . 15787 1 215 . 1 1 46 46 PRO CB C 13 32.3 . . 1 . . . . 46 PRO CB . 15787 1 216 . 1 1 47 47 GLN H H 1 8.35 . . 1 . . . . 47 GLN H . 15787 1 217 . 1 1 47 47 GLN C C 13 175.2 . . 1 . . . . 47 GLN C . 15787 1 218 . 1 1 47 47 GLN CA C 13 61.8 . . 1 . . . . 47 GLN CA . 15787 1 219 . 1 1 47 47 GLN CB C 13 32.7 . . 1 . . . . 47 GLN CB . 15787 1 220 . 1 1 47 47 GLN N N 15 125.8 . . 1 . . . . 47 GLN N . 15787 1 221 . 1 1 48 48 ALA H H 1 8.32 . . 1 . . . . 48 ALA H . 15787 1 222 . 1 1 48 48 ALA CA C 13 51.9 . . 1 . . . . 48 ALA CA . 15787 1 223 . 1 1 48 48 ALA CB C 13 19.0 . . 1 . . . . 48 ALA CB . 15787 1 224 . 1 1 48 48 ALA N N 15 128.7 . . 1 . . . . 48 ALA N . 15787 1 225 . 1 1 49 49 PRO C C 13 177.0 . . 1 . . . . 49 PRO C . 15787 1 226 . 1 1 49 49 PRO CA C 13 65.5 . . 1 . . . . 49 PRO CA . 15787 1 227 . 1 1 49 49 PRO CB C 13 32.1 . . 1 . . . . 49 PRO CB . 15787 1 228 . 1 1 50 50 THR H H 1 7.9 . . 1 . . . . 50 THR H . 15787 1 229 . 1 1 50 50 THR C C 13 172.0 . . 1 . . . . 50 THR C . 15787 1 230 . 1 1 50 50 THR CA C 13 62.2 . . 1 . . . . 50 THR CA . 15787 1 231 . 1 1 50 50 THR CB C 13 69.6 . . 1 . . . . 50 THR CB . 15787 1 232 . 1 1 50 50 THR N N 15 111.1 . . 1 . . . . 50 THR N . 15787 1 233 . 1 1 51 51 HIS H H 1 10.02 . . 1 . . . . 51 HIS H . 15787 1 234 . 1 1 51 51 HIS C C 13 173.0 . . 1 . . . . 51 HIS C . 15787 1 235 . 1 1 51 51 HIS CA C 13 52.8 . . 1 . . . . 51 HIS CA . 15787 1 236 . 1 1 51 51 HIS CB C 13 33.6 . . 1 . . . . 51 HIS CB . 15787 1 237 . 1 1 51 51 HIS N N 15 129.1 . . 1 . . . . 51 HIS N . 15787 1 238 . 1 1 52 52 PHE H H 1 9.23 . . 1 . . . . 52 PHE H . 15787 1 239 . 1 1 52 52 PHE C C 13 170.0 . . 1 . . . . 52 PHE C . 15787 1 240 . 1 1 52 52 PHE CA C 13 54.2 . . 1 . . . . 52 PHE CA . 15787 1 241 . 1 1 52 52 PHE CB C 13 42.3 . . 1 . . . . 52 PHE CB . 15787 1 242 . 1 1 52 52 PHE N N 15 125.1 . . 1 . . . . 52 PHE N . 15787 1 243 . 1 1 53 53 LEU H H 1 8.88 . . 1 . . . . 53 LEU H . 15787 1 244 . 1 1 53 53 LEU C C 13 176.2 . . 1 . . . . 53 LEU C . 15787 1 245 . 1 1 53 53 LEU CA C 13 52.3 . . 1 . . . . 53 LEU CA . 15787 1 246 . 1 1 53 53 LEU CB C 13 45.3 . . 1 . . . . 53 LEU CB . 15787 1 247 . 1 1 53 53 LEU N N 15 120.4 . . 1 . . . . 53 LEU N . 15787 1 248 . 1 1 54 54 VAL H H 1 8.87 . . 1 . . . . 54 VAL H . 15787 1 249 . 1 1 54 54 VAL C C 13 175.8 . . 1 . . . . 54 VAL C . 15787 1 250 . 1 1 54 54 VAL CA C 13 60.8 . . 1 . . . . 54 VAL CA . 15787 1 251 . 1 1 54 54 VAL CB C 13 33.2 . . 1 . . . . 54 VAL CB . 15787 1 252 . 1 1 54 54 VAL N N 15 119.4 . . 1 . . . . 54 VAL N . 15787 1 253 . 1 1 55 55 ILE H H 1 9.21 . . 1 . . . . 55 ILE H . 15787 1 254 . 1 1 55 55 ILE CA C 13 56.2 . . 1 . . . . 55 ILE CA . 15787 1 255 . 1 1 55 55 ILE CB C 13 38.8 . . 1 . . . . 55 ILE CB . 15787 1 256 . 1 1 55 55 ILE N N 15 120.1 . . 1 . . . . 55 ILE N . 15787 1 257 . 1 1 56 56 PRO C C 13 177.3 . . 1 . . . . 56 PRO C . 15787 1 258 . 1 1 56 56 PRO CA C 13 61.0 . . 1 . . . . 56 PRO CA . 15787 1 259 . 1 1 57 57 LYS H H 1 7.93 . . 1 . . . . 57 LYS H . 15787 1 260 . 1 1 57 57 LYS C C 13 175.7 . . 1 . . . . 57 LYS C . 15787 1 261 . 1 1 57 57 LYS CA C 13 58.9 . . 1 . . . . 57 LYS CA . 15787 1 262 . 1 1 57 57 LYS CB C 13 32.0 . . 1 . . . . 57 LYS CB . 15787 1 263 . 1 1 57 57 LYS N N 15 121.9 . . 1 . . . . 57 LYS N . 15787 1 264 . 1 1 58 58 LYS H H 1 8.15 . . 1 . . . . 58 LYS H . 15787 1 265 . 1 1 58 58 LYS C C 13 174.4 . . 1 . . . . 58 LYS C . 15787 1 266 . 1 1 58 58 LYS CA C 13 55.6 . . 1 . . . . 58 LYS CA . 15787 1 267 . 1 1 58 58 LYS CB C 13 33.5 . . 1 . . . . 58 LYS CB . 15787 1 268 . 1 1 58 58 LYS N N 15 121.5 . . 1 . . . . 58 LYS N . 15787 1 269 . 1 1 59 59 HIS H H 1 8.60 . . 1 . . . . 59 HIS H . 15787 1 270 . 1 1 59 59 HIS C C 13 173.7 . . 1 . . . . 59 HIS C . 15787 1 271 . 1 1 59 59 HIS CA C 13 56.3 . . 1 . . . . 59 HIS CA . 15787 1 272 . 1 1 59 59 HIS CB C 13 29.8 . . 1 . . . . 59 HIS CB . 15787 1 273 . 1 1 59 59 HIS N N 15 124.2 . . 1 . . . . 59 HIS N . 15787 1 274 . 1 1 60 60 ILE H H 1 6.23 . . 1 . . . . 60 ILE H . 15787 1 275 . 1 1 60 60 ILE C C 13 176.6 . . 1 . . . . 60 ILE C . 15787 1 276 . 1 1 60 60 ILE CA C 13 60.0 . . 1 . . . . 60 ILE CA . 15787 1 277 . 1 1 60 60 ILE CB C 13 40.7 . . 1 . . . . 60 ILE CB . 15787 1 278 . 1 1 60 60 ILE N N 15 130.8 . . 1 . . . . 60 ILE N . 15787 1 279 . 1 1 61 61 SER H H 1 9.03 . . 1 . . . . 61 SER H . 15787 1 280 . 1 1 61 61 SER C C 13 172.9 . . 1 . . . . 61 SER C . 15787 1 281 . 1 1 61 61 SER CA C 13 60.9 . . 1 . . . . 61 SER CA . 15787 1 282 . 1 1 61 61 SER CB C 13 62.8 . . 1 . . . . 61 SER CB . 15787 1 283 . 1 1 61 61 SER N N 15 124.8 . . 1 . . . . 61 SER N . 15787 1 284 . 1 1 62 62 GLN H H 1 6.75 . . 1 . . . . 62 GLN H . 15787 1 285 . 1 1 62 62 GLN C C 13 174.7 . . 1 . . . . 62 GLN C . 15787 1 286 . 1 1 62 62 GLN CA C 13 54.2 . . 1 . . . . 62 GLN CA . 15787 1 287 . 1 1 62 62 GLN CB C 13 32.1 . . 1 . . . . 62 GLN CB . 15787 1 288 . 1 1 62 62 GLN N N 15 113.8 . . 1 . . . . 62 GLN N . 15787 1 289 . 1 1 63 63 ILE H H 1 9.37 . . 1 . . . . 63 ILE H . 15787 1 290 . 1 1 63 63 ILE C C 13 176.3 . . 1 . . . . 63 ILE C . 15787 1 291 . 1 1 63 63 ILE CA C 13 62.8 . . 1 . . . . 63 ILE CA . 15787 1 292 . 1 1 63 63 ILE CB C 13 37.5 . . 1 . . . . 63 ILE CB . 15787 1 293 . 1 1 63 63 ILE N N 15 126.6 . . 1 . . . . 63 ILE N . 15787 1 294 . 1 1 64 64 SER H H 1 8.50 . . 1 . . . . 64 SER H . 15787 1 295 . 1 1 64 64 SER C C 13 176.0 . . 1 . . . . 64 SER C . 15787 1 296 . 1 1 64 64 SER CA C 13 60.5 . . 1 . . . . 64 SER CA . 15787 1 297 . 1 1 64 64 SER CB C 13 61.8 . . 1 . . . . 64 SER CB . 15787 1 298 . 1 1 64 64 SER N N 15 115.3 . . 1 . . . . 64 SER N . 15787 1 299 . 1 1 65 65 VAL H H 1 7.22 . . 1 . . . . 65 VAL H . 15787 1 300 . 1 1 65 65 VAL C C 13 175.8 . . 1 . . . . 65 VAL C . 15787 1 301 . 1 1 65 65 VAL CA C 13 59.9 . . 1 . . . . 65 VAL CA . 15787 1 302 . 1 1 65 65 VAL CB C 13 30.9 . . 1 . . . . 65 VAL CB . 15787 1 303 . 1 1 65 65 VAL N N 15 114.4 . . 1 . . . . 65 VAL N . 15787 1 304 . 1 1 66 66 ALA H H 1 7.56 . . 1 . . . . 66 ALA H . 15787 1 305 . 1 1 66 66 ALA C C 13 175.5 . . 1 . . . . 66 ALA C . 15787 1 306 . 1 1 66 66 ALA CA C 13 52.3 . . 1 . . . . 66 ALA CA . 15787 1 307 . 1 1 66 66 ALA CB C 13 18.6 . . 1 . . . . 66 ALA CB . 15787 1 308 . 1 1 66 66 ALA N N 15 127.3 . . 1 . . . . 66 ALA N . 15787 1 309 . 1 1 67 67 ASP H H 1 9.38 . . 1 . . . . 67 ASP H . 15787 1 310 . 1 1 67 67 ASP C C 13 176.6 . . 1 . . . . 67 ASP C . 15787 1 311 . 1 1 67 67 ASP CA C 13 52.7 . . 1 . . . . 67 ASP CA . 15787 1 312 . 1 1 67 67 ASP CB C 13 43.4 . . 1 . . . . 67 ASP CB . 15787 1 313 . 1 1 67 67 ASP N N 15 123.9 . . 1 . . . . 67 ASP N . 15787 1 314 . 1 1 68 68 ASP H H 1 8.65 . . 1 . . . . 68 ASP H . 15787 1 315 . 1 1 68 68 ASP C C 13 178.3 . . 1 . . . . 68 ASP C . 15787 1 316 . 1 1 68 68 ASP CA C 13 57.5 . . 1 . . . . 68 ASP CA . 15787 1 317 . 1 1 68 68 ASP CB C 13 39.5 . . 1 . . . . 68 ASP CB . 15787 1 318 . 1 1 68 68 ASP N N 15 122.5 . . 1 . . . . 68 ASP N . 15787 1 319 . 1 1 69 69 ASP H H 1 8.68 . . 1 . . . . 69 ASP H . 15787 1 320 . 1 1 69 69 ASP C C 13 176.8 . . 1 . . . . 69 ASP C . 15787 1 321 . 1 1 69 69 ASP CA C 13 55.4 . . 1 . . . . 69 ASP CA . 15787 1 322 . 1 1 69 69 ASP CB C 13 40.0 . . 1 . . . . 69 ASP CB . 15787 1 323 . 1 1 69 69 ASP N N 15 117.6 . . 1 . . . . 69 ASP N . 15787 1 324 . 1 1 70 70 ASP H H 1 8.19 . . 1 . . . . 70 ASP H . 15787 1 325 . 1 1 70 70 ASP C C 13 175.5 . . 1 . . . . 70 ASP C . 15787 1 326 . 1 1 70 70 ASP CA C 13 54.7 . . 1 . . . . 70 ASP CA . 15787 1 327 . 1 1 70 70 ASP CB C 13 40.7 . . 1 . . . . 70 ASP CB . 15787 1 328 . 1 1 70 70 ASP N N 15 119.1 . . 1 . . . . 70 ASP N . 15787 1 329 . 1 1 71 71 GLU H H 1 7.60 . . 1 . . . . 71 GLU H . 15787 1 330 . 1 1 71 71 GLU C C 13 177.3 . . 1 . . . . 71 GLU C . 15787 1 331 . 1 1 71 71 GLU CA C 13 61.3 . . 1 . . . . 71 GLU CA . 15787 1 332 . 1 1 71 71 GLU CB C 13 30.1 . . 1 . . . . 71 GLU CB . 15787 1 333 . 1 1 71 71 GLU N N 15 121.3 . . 1 . . . . 71 GLU N . 15787 1 334 . 1 1 72 72 SER H H 1 8.82 . . 1 . . . . 72 SER H . 15787 1 335 . 1 1 72 72 SER C C 13 175.1 . . 1 . . . . 72 SER C . 15787 1 336 . 1 1 72 72 SER CA C 13 62.1 . . 1 . . . . 72 SER CA . 15787 1 337 . 1 1 72 72 SER CB C 13 61.6 . . 1 . . . . 72 SER CB . 15787 1 338 . 1 1 72 72 SER N N 15 115.0 . . 1 . . . . 72 SER N . 15787 1 339 . 1 1 73 73 LEU H H 1 7.64 . . 1 . . . . 73 LEU H . 15787 1 340 . 1 1 73 73 LEU C C 13 177.7 . . 1 . . . . 73 LEU C . 15787 1 341 . 1 1 73 73 LEU CA C 13 57.5 . . 1 . . . . 73 LEU CA . 15787 1 342 . 1 1 73 73 LEU CB C 13 41.1 . . 1 . . . . 73 LEU CB . 15787 1 343 . 1 1 73 73 LEU N N 15 124.7 . . 1 . . . . 73 LEU N . 15787 1 344 . 1 1 74 74 LEU H H 1 8.24 . . 1 . . . . 74 LEU H . 15787 1 345 . 1 1 74 74 LEU C C 13 179.0 . . 1 . . . . 74 LEU C . 15787 1 346 . 1 1 74 74 LEU CA C 13 57.5 . . 1 . . . . 74 LEU CA . 15787 1 347 . 1 1 74 74 LEU CB C 13 40.10 . . 1 . . . . 74 LEU CB . 15787 1 348 . 1 1 74 74 LEU N N 15 118.0 . . 1 . . . . 74 LEU N . 15787 1 349 . 1 1 75 75 GLY H H 1 8.3 . . 1 . . . . 75 GLY H . 15787 1 350 . 1 1 75 75 GLY C C 13 176.1 . . 1 . . . . 75 GLY C . 15787 1 351 . 1 1 75 75 GLY CA C 13 47.3 . . 1 . . . . 75 GLY CA . 15787 1 352 . 1 1 75 75 GLY N N 15 105.4 . . 1 . . . . 75 GLY N . 15787 1 353 . 1 1 76 76 HIS H H 1 8.74 . . 1 . . . . 76 HIS H . 15787 1 354 . 1 1 76 76 HIS C C 13 176.0 . . 1 . . . . 76 HIS C . 15787 1 355 . 1 1 76 76 HIS CA C 13 58.6 . . 1 . . . . 76 HIS CA . 15787 1 356 . 1 1 76 76 HIS CB C 13 28.0 . . 1 . . . . 76 HIS CB . 15787 1 357 . 1 1 76 76 HIS N N 15 122.7 . . 1 . . . . 76 HIS N . 15787 1 358 . 1 1 77 77 LEU H H 1 7.97 . . 1 . . . . 77 LEU H . 15787 1 359 . 1 1 77 77 LEU C C 13 178.3 . . 1 . . . . 77 LEU C . 15787 1 360 . 1 1 77 77 LEU CA C 13 57.3 . . 1 . . . . 77 LEU CA . 15787 1 361 . 1 1 77 77 LEU CB C 13 40.1 . . 1 . . . . 77 LEU CB . 15787 1 362 . 1 1 77 77 LEU N N 15 115.9 . . 1 . . . . 77 LEU N . 15787 1 363 . 1 1 78 78 MET H H 1 7.03 . . 1 . . . . 78 MET H . 15787 1 364 . 1 1 78 78 MET C C 13 177.3 . . 1 . . . . 78 MET C . 15787 1 365 . 1 1 78 78 MET CA C 13 58.8 . . 1 . . . . 78 MET CA . 15787 1 366 . 1 1 78 78 MET CB C 13 33.5 . . 1 . . . . 78 MET CB . 15787 1 367 . 1 1 78 78 MET N N 15 115.8 . . 1 . . . . 78 MET N . 15787 1 368 . 1 1 79 79 ILE H H 1 8.06 . . 1 . . . . 79 ILE H . 15787 1 369 . 1 1 79 79 ILE C C 13 177.7 . . 1 . . . . 79 ILE C . 15787 1 370 . 1 1 79 79 ILE CA C 13 60.9 . . 1 . . . . 79 ILE CA . 15787 1 371 . 1 1 79 79 ILE CB C 13 35.3 . . 1 . . . . 79 ILE CB . 15787 1 372 . 1 1 79 79 ILE N N 15 121.5 . . 1 . . . . 79 ILE N . 15787 1 373 . 1 1 80 80 VAL H H 1 8.62 . . 1 . . . . 80 VAL H . 15787 1 374 . 1 1 80 80 VAL C C 13 178.5 . . 1 . . . . 80 VAL C . 15787 1 375 . 1 1 80 80 VAL CA C 13 66.4 . . 1 . . . . 80 VAL CA . 15787 1 376 . 1 1 80 80 VAL CB C 13 30.6 . . 1 . . . . 80 VAL CB . 15787 1 377 . 1 1 80 80 VAL N N 15 122.5 . . 1 . . . . 80 VAL N . 15787 1 378 . 1 1 81 81 GLY H H 1 8.45 . . 1 . . . . 81 GLY H . 15787 1 379 . 1 1 81 81 GLY C C 13 173.3 . . 1 . . . . 81 GLY C . 15787 1 380 . 1 1 81 81 GLY CA C 13 48.0 . . 1 . . . . 81 GLY CA . 15787 1 381 . 1 1 81 81 GLY N N 15 108.8 . . 1 . . . . 81 GLY N . 15787 1 382 . 1 1 82 82 LYS H H 1 8.17 . . 1 . . . . 82 LYS H . 15787 1 383 . 1 1 82 82 LYS C C 13 179.0 . . 1 . . . . 82 LYS C . 15787 1 384 . 1 1 82 82 LYS CA C 13 57.8 . . 1 . . . . 82 LYS CA . 15787 1 385 . 1 1 82 82 LYS CB C 13 31.3 . . 1 . . . . 82 LYS CB . 15787 1 386 . 1 1 82 82 LYS N N 15 123.3 . . 1 . . . . 82 LYS N . 15787 1 387 . 1 1 83 83 LYS H H 1 8.38 . . 1 . . . . 83 LYS H . 15787 1 388 . 1 1 83 83 LYS C C 13 178.9 . . 1 . . . . 83 LYS C . 15787 1 389 . 1 1 83 83 LYS CA C 13 59.5 . . 1 . . . . 83 LYS CA . 15787 1 390 . 1 1 83 83 LYS CB C 13 31.9 . . 1 . . . . 83 LYS CB . 15787 1 391 . 1 1 83 83 LYS N N 15 125.9 . . 1 . . . . 83 LYS N . 15787 1 392 . 1 1 84 84 CYS H H 1 8.70 . . 1 . . . . 84 CYS H . 15787 1 393 . 1 1 84 84 CYS C C 13 177.3 . . 1 . . . . 84 CYS C . 15787 1 394 . 1 1 84 84 CYS CA C 13 63.0 . . 1 . . . . 84 CYS CA . 15787 1 395 . 1 1 84 84 CYS CB C 13 27.4 . . 1 . . . . 84 CYS CB . 15787 1 396 . 1 1 84 84 CYS N N 15 118.3 . . 1 . . . . 84 CYS N . 15787 1 397 . 1 1 85 85 ALA H H 1 8.18 . . 1 . . . . 85 ALA H . 15787 1 398 . 1 1 85 85 ALA C C 13 178.1 . . 1 . . . . 85 ALA C . 15787 1 399 . 1 1 85 85 ALA CA C 13 55.0 . . 1 . . . . 85 ALA CA . 15787 1 400 . 1 1 85 85 ALA CB C 13 17.9 . . 1 . . . . 85 ALA CB . 15787 1 401 . 1 1 85 85 ALA N N 15 121.6 . . 1 . . . . 85 ALA N . 15787 1 402 . 1 1 86 86 ALA H H 1 7.36 . . 1 . . . . 86 ALA H . 15787 1 403 . 1 1 86 86 ALA C C 13 181.7 . . 1 . . . . 86 ALA C . 15787 1 404 . 1 1 86 86 ALA CA C 13 54.5 . . 1 . . . . 86 ALA CA . 15787 1 405 . 1 1 86 86 ALA CB C 13 17.5 . . 1 . . . . 86 ALA CB . 15787 1 406 . 1 1 86 86 ALA N N 15 120.0 . . 1 . . . . 86 ALA N . 15787 1 407 . 1 1 87 87 ASP H H 1 8.21 . . 1 . . . . 87 ASP H . 15787 1 408 . 1 1 87 87 ASP C C 13 178.0 . . 1 . . . . 87 ASP C . 15787 1 409 . 1 1 87 87 ASP CA C 13 57.0 . . 1 . . . . 87 ASP CA . 15787 1 410 . 1 1 87 87 ASP CB C 13 39.7 . . 1 . . . . 87 ASP CB . 15787 1 411 . 1 1 87 87 ASP N N 15 123.1 . . 1 . . . . 87 ASP N . 15787 1 412 . 1 1 88 88 LEU H H 1 7.89 . . 1 . . . . 88 LEU H . 15787 1 413 . 1 1 88 88 LEU C C 13 176.9 . . 1 . . . . 88 LEU C . 15787 1 414 . 1 1 88 88 LEU CA C 13 54.7 . . 1 . . . . 88 LEU CA . 15787 1 415 . 1 1 88 88 LEU CB C 13 41.2 . . 1 . . . . 88 LEU CB . 15787 1 416 . 1 1 88 88 LEU N N 15 119.2 . . 1 . . . . 88 LEU N . 15787 1 417 . 1 1 89 89 GLY H H 1 7.80 . . 1 . . . . 89 GLY H . 15787 1 418 . 1 1 89 89 GLY C C 13 173.3 . . 1 . . . . 89 GLY C . 15787 1 419 . 1 1 89 89 GLY CA C 13 45.8 . . 1 . . . . 89 GLY CA . 15787 1 420 . 1 1 89 89 GLY N N 15 107.7 . . 1 . . . . 89 GLY N . 15787 1 421 . 1 1 90 90 LEU H H 1 8.16 . . 1 . . . . 90 LEU H . 15787 1 422 . 1 1 90 90 LEU C C 13 177.8 . . 1 . . . . 90 LEU C . 15787 1 423 . 1 1 90 90 LEU CA C 13 53.9 . . 1 . . . . 90 LEU CA . 15787 1 424 . 1 1 90 90 LEU CB C 13 37.8 . . 1 . . . . 90 LEU CB . 15787 1 425 . 1 1 90 90 LEU N N 15 123.1 . . 1 . . . . 90 LEU N . 15787 1 426 . 1 1 91 91 LYS H H 1 8.40 . . 1 . . . . 91 LYS H . 15787 1 427 . 1 1 91 91 LYS C C 13 177.7 . . 1 . . . . 91 LYS C . 15787 1 428 . 1 1 91 91 LYS CA C 13 57.5 . . 1 . . . . 91 LYS CA . 15787 1 429 . 1 1 91 91 LYS CB C 13 33.0 . . 1 . . . . 91 LYS CB . 15787 1 430 . 1 1 91 91 LYS N N 15 124.5 . . 1 . . . . 91 LYS N . 15787 1 431 . 1 1 92 92 ARG H H 1 9.00 . . 1 . . . . 92 ARG H . 15787 1 432 . 1 1 92 92 ARG C C 13 174.9 . . 1 . . . . 92 ARG C . 15787 1 433 . 1 1 92 92 ARG CA C 13 55.4 . . 1 . . . . 92 ARG CA . 15787 1 434 . 1 1 92 92 ARG CB C 13 30.0 . . 1 . . . . 92 ARG CB . 15787 1 435 . 1 1 92 92 ARG N N 15 119.3 . . 1 . . . . 92 ARG N . 15787 1 436 . 1 1 93 93 GLY H H 1 7.52 . . 1 . . . . 93 GLY H . 15787 1 437 . 1 1 93 93 GLY C C 13 172.5 . . 1 . . . . 93 GLY C . 15787 1 438 . 1 1 93 93 GLY CA C 13 44.4 . . 1 . . . . 93 GLY CA . 15787 1 439 . 1 1 93 93 GLY N N 15 106.5 . . 1 . . . . 93 GLY N . 15787 1 440 . 1 1 94 94 TYR H H 1 8.30 . . 1 . . . . 94 TYR H . 15787 1 441 . 1 1 94 94 TYR C C 13 172.0 . . 1 . . . . 94 TYR C . 15787 1 442 . 1 1 94 94 TYR CA C 13 56.2 . . 1 . . . . 94 TYR CA . 15787 1 443 . 1 1 94 94 TYR CB C 13 38.3 . . 1 . . . . 94 TYR CB . 15787 1 444 . 1 1 94 94 TYR N N 15 113.0 . . 1 . . . . 94 TYR N . 15787 1 445 . 1 1 95 95 ARG H H 1 9.66 . . 1 . . . . 95 ARG H . 15787 1 446 . 1 1 95 95 ARG C C 13 173.4 . . 1 . . . . 95 ARG C . 15787 1 447 . 1 1 95 95 ARG CA C 13 53.8 . . 1 . . . . 95 ARG CA . 15787 1 448 . 1 1 95 95 ARG CB C 13 35.4 . . 1 . . . . 95 ARG CB . 15787 1 449 . 1 1 95 95 ARG N N 15 120.8 . . 1 . . . . 95 ARG N . 15787 1 450 . 1 1 96 96 MET H H 1 9.62 . . 1 . . . . 96 MET H . 15787 1 451 . 1 1 96 96 MET C C 13 175.7 . . 1 . . . . 96 MET C . 15787 1 452 . 1 1 96 96 MET CA C 13 53.4 . . 1 . . . . 96 MET CA . 15787 1 453 . 1 1 96 96 MET CB C 13 35.0 . . 1 . . . . 96 MET CB . 15787 1 454 . 1 1 96 96 MET N N 15 126.1 . . 1 . . . . 96 MET N . 15787 1 455 . 1 1 97 97 VAL H H 1 9.35 . . 1 . . . . 97 VAL H . 15787 1 456 . 1 1 97 97 VAL C C 13 174.5 . . 1 . . . . 97 VAL C . 15787 1 457 . 1 1 97 97 VAL CA C 13 60.3 . . 1 . . . . 97 VAL CA . 15787 1 458 . 1 1 97 97 VAL CB C 13 37.1 . . 1 . . . . 97 VAL CB . 15787 1 459 . 1 1 97 97 VAL N N 15 122.2 . . 1 . . . . 97 VAL N . 15787 1 460 . 1 1 98 98 VAL H H 1 9.24 . . 1 . . . . 98 VAL H . 15787 1 461 . 1 1 98 98 VAL C C 13 173.4 . . 1 . . . . 98 VAL C . 15787 1 462 . 1 1 98 98 VAL CA C 13 61.6 . . 1 . . . . 98 VAL CA . 15787 1 463 . 1 1 98 98 VAL CB C 13 34.8 . . 1 . . . . 98 VAL CB . 15787 1 464 . 1 1 98 98 VAL N N 15 126.9 . . 1 . . . . 98 VAL N . 15787 1 465 . 1 1 99 99 ASN H H 1 9.36 . . 1 . . . . 99 ASN H . 15787 1 466 . 1 1 99 99 ASN C C 13 173.5 . . 1 . . . . 99 ASN C . 15787 1 467 . 1 1 99 99 ASN CA C 13 51.6 . . 1 . . . . 99 ASN CA . 15787 1 468 . 1 1 99 99 ASN CB C 13 38.8 . . 1 . . . . 99 ASN CB . 15787 1 469 . 1 1 99 99 ASN N N 15 127.5 . . 1 . . . . 99 ASN N . 15787 1 470 . 1 1 100 100 GLU H H 1 8.52 . . 1 . . . . 100 GLU H . 15787 1 471 . 1 1 100 100 GLU C C 13 175.5 . . 1 . . . . 100 GLU C . 15787 1 472 . 1 1 100 100 GLU CA C 13 53.6 . . 1 . . . . 100 GLU CA . 15787 1 473 . 1 1 100 100 GLU CB C 13 29.8 . . 1 . . . . 100 GLU CB . 15787 1 474 . 1 1 100 100 GLU N N 15 124.1 . . 1 . . . . 100 GLU N . 15787 1 475 . 1 1 101 101 GLY H H 1 8.96 . . 1 . . . . 101 GLY H . 15787 1 476 . 1 1 101 101 GLY C C 13 172.3 . . 1 . . . . 101 GLY C . 15787 1 477 . 1 1 101 101 GLY CA C 13 44.3 . . 1 . . . . 101 GLY CA . 15787 1 478 . 1 1 101 101 GLY N N 15 115.4 . . 1 . . . . 101 GLY N . 15787 1 479 . 1 1 102 102 ALA H H 1 8.64 . . 1 . . . . 102 ALA H . 15787 1 480 . 1 1 102 102 ALA C C 13 182.4 . . 1 . . . . 102 ALA C . 15787 1 481 . 1 1 102 102 ALA CA C 13 55.2 . . 1 . . . . 102 ALA CA . 15787 1 482 . 1 1 102 102 ALA CB C 13 18.0 . . 1 . . . . 102 ALA CB . 15787 1 483 . 1 1 102 102 ALA N N 15 125.4 . . 1 . . . . 102 ALA N . 15787 1 484 . 1 1 103 103 ASP H H 1 9.38 . . 1 . . . . 103 ASP H . 15787 1 485 . 1 1 103 103 ASP C C 13 177.5 . . 1 . . . . 103 ASP C . 15787 1 486 . 1 1 103 103 ASP CA C 13 56.7 . . 1 . . . . 103 ASP CA . 15787 1 487 . 1 1 103 103 ASP CB C 13 38.4 . . 1 . . . . 103 ASP CB . 15787 1 488 . 1 1 103 103 ASP N N 15 119.6 . . 1 . . . . 103 ASP N . 15787 1 489 . 1 1 104 104 GLY H H 1 6.92 . . 1 . . . . 104 GLY H . 15787 1 490 . 1 1 104 104 GLY C C 13 172.8 . . 1 . . . . 104 GLY C . 15787 1 491 . 1 1 104 104 GLY CA C 13 45.7 . . 1 . . . . 104 GLY CA . 15787 1 492 . 1 1 104 104 GLY N N 15 102.2 . . 1 . . . . 104 GLY N . 15787 1 493 . 1 1 105 105 GLY H H 1 7.54 . . 1 . . . . 105 GLY H . 15787 1 494 . 1 1 105 105 GLY C C 13 172.9 . . 1 . . . . 105 GLY C . 15787 1 495 . 1 1 105 105 GLY CA C 13 44.4 . . 1 . . . . 105 GLY CA . 15787 1 496 . 1 1 105 105 GLY N N 15 107.8 . . 1 . . . . 105 GLY N . 15787 1 497 . 1 1 106 106 GLN H H 1 8.12 . . 1 . . . . 106 GLN H . 15787 1 498 . 1 1 106 106 GLN CA C 13 56.5 . . 1 . . . . 106 GLN CA . 15787 1 499 . 1 1 106 106 GLN CB C 13 28.0 . . 1 . . . . 106 GLN CB . 15787 1 500 . 1 1 106 106 GLN N N 15 121.4 . . 1 . . . . 106 GLN N . 15787 1 501 . 1 1 108 108 VAL C C 13 176.9 . . 1 . . . . 108 VAL C . 15787 1 502 . 1 1 109 109 TYR H H 1 9.41 . . 1 . . . . 109 TYR H . 15787 1 503 . 1 1 109 109 TYR C C 13 174.2 . . 1 . . . . 109 TYR C . 15787 1 504 . 1 1 109 109 TYR CA C 13 58.9 . . 1 . . . . 109 TYR CA . 15787 1 505 . 1 1 109 109 TYR CB C 13 35.0 . . 1 . . . . 109 TYR CB . 15787 1 506 . 1 1 109 109 TYR N N 15 132.7 . . 1 . . . . 109 TYR N . 15787 1 507 . 1 1 110 110 HIS H H 1 7.95 . . 1 . . . . 110 HIS H . 15787 1 508 . 1 1 110 110 HIS C C 13 175.5 . . 1 . . . . 110 HIS C . 15787 1 509 . 1 1 110 110 HIS CA C 13 56.0 . . 1 . . . . 110 HIS CA . 15787 1 510 . 1 1 110 110 HIS CB C 13 35.0 . . 1 . . . . 110 HIS CB . 15787 1 511 . 1 1 110 110 HIS N N 15 125.1 . . 1 . . . . 110 HIS N . 15787 1 512 . 1 1 111 111 ILE H H 1 8.94 . . 1 . . . . 111 ILE H . 15787 1 513 . 1 1 111 111 ILE C C 13 171.7 . . 1 . . . . 111 ILE C . 15787 1 514 . 1 1 111 111 ILE CA C 13 63.4 . . 1 . . . . 111 ILE CA . 15787 1 515 . 1 1 111 111 ILE CB C 13 37.8 . . 1 . . . . 111 ILE CB . 15787 1 516 . 1 1 111 111 ILE N N 15 129.2 . . 1 . . . . 111 ILE N . 15787 1 517 . 1 1 112 112 HIS H H 1 7.91 . . 1 . . . . 112 HIS H . 15787 1 518 . 1 1 112 112 HIS C C 13 176.7 . . 1 . . . . 112 HIS C . 15787 1 519 . 1 1 112 112 HIS CA C 13 53.2 . . 1 . . . . 112 HIS CA . 15787 1 520 . 1 1 112 112 HIS CB C 13 31.1 . . 1 . . . . 112 HIS CB . 15787 1 521 . 1 1 112 112 HIS N N 15 116.2 . . 1 . . . . 112 HIS N . 15787 1 522 . 1 1 113 113 LEU H H 1 9.03 . . 1 . . . . 113 LEU H . 15787 1 523 . 1 1 113 113 LEU C C 13 175.4 . . 1 . . . . 113 LEU C . 15787 1 524 . 1 1 113 113 LEU CA C 13 53.0 . . 1 . . . . 113 LEU CA . 15787 1 525 . 1 1 113 113 LEU CB C 13 45.7 . . 1 . . . . 113 LEU CB . 15787 1 526 . 1 1 113 113 LEU N N 15 127.0 . . 1 . . . . 113 LEU N . 15787 1 527 . 1 1 114 114 HIS H H 1 9.64 . . 1 . . . . 114 HIS H . 15787 1 528 . 1 1 114 114 HIS C C 13 176.2 . . 1 . . . . 114 HIS C . 15787 1 529 . 1 1 114 114 HIS CA C 13 56.3 . . 1 . . . . 114 HIS CA . 15787 1 530 . 1 1 114 114 HIS CB C 13 34.7 . . 1 . . . . 114 HIS CB . 15787 1 531 . 1 1 114 114 HIS N N 15 126.1 . . 1 . . . . 114 HIS N . 15787 1 532 . 1 1 115 115 VAL H H 1 9.20 . . 1 . . . . 115 VAL H . 15787 1 533 . 1 1 115 115 VAL C C 13 173.4 . . 1 . . . . 115 VAL C . 15787 1 534 . 1 1 115 115 VAL CA C 13 61.9 . . 1 . . . . 115 VAL CA . 15787 1 535 . 1 1 115 115 VAL CB C 13 31.0 . . 1 . . . . 115 VAL CB . 15787 1 536 . 1 1 115 115 VAL N N 15 122.8 . . 1 . . . . 115 VAL N . 15787 1 537 . 1 1 116 116 LEU H H 1 8.80 . . 1 . . . . 116 LEU H . 15787 1 538 . 1 1 116 116 LEU C C 13 175.1 . . 1 . . . . 116 LEU C . 15787 1 539 . 1 1 116 116 LEU CA C 13 54.0 . . 1 . . . . 116 LEU CA . 15787 1 540 . 1 1 116 116 LEU CB C 13 44.0 . . 1 . . . . 116 LEU CB . 15787 1 541 . 1 1 116 116 LEU N N 15 124.8 . . 1 . . . . 116 LEU N . 15787 1 542 . 1 1 117 117 GLY H H 1 9.08 . . 1 . . . . 117 GLY H . 15787 1 543 . 1 1 117 117 GLY C C 13 170.7 . . 1 . . . . 117 GLY C . 15787 1 544 . 1 1 117 117 GLY CA C 13 45.1 . . 1 . . . . 117 GLY CA . 15787 1 545 . 1 1 117 117 GLY N N 15 105.6 . . 1 . . . . 117 GLY N . 15787 1 546 . 1 1 118 118 GLY H H 1 9.70 . . 1 . . . . 118 GLY H . 15787 1 547 . 1 1 118 118 GLY C C 13 173.0 . . 1 . . . . 118 GLY C . 15787 1 548 . 1 1 118 118 GLY CA C 13 44.5 . . 1 . . . . 118 GLY CA . 15787 1 549 . 1 1 118 118 GLY N N 15 109.4 . . 1 . . . . 118 GLY N . 15787 1 550 . 1 1 119 119 ARG H H 1 7.58 . . 1 . . . . 119 ARG H . 15787 1 551 . 1 1 119 119 ARG C C 13 172.0 . . 1 . . . . 119 ARG C . 15787 1 552 . 1 1 119 119 ARG CA C 13 52.8 . . 1 . . . . 119 ARG CA . 15787 1 553 . 1 1 119 119 ARG CB C 13 31.9 . . 1 . . . . 119 ARG CB . 15787 1 554 . 1 1 119 119 ARG N N 15 113.9 . . 1 . . . . 119 ARG N . 15787 1 555 . 1 1 120 120 GLN H H 1 8.32 . . 1 . . . . 120 GLN H . 15787 1 556 . 1 1 120 120 GLN C C 13 175.8 . . 1 . . . . 120 GLN C . 15787 1 557 . 1 1 120 120 GLN CA C 13 56.2 . . 1 . . . . 120 GLN CA . 15787 1 558 . 1 1 120 120 GLN CB C 13 29.1 . . 1 . . . . 120 GLN CB . 15787 1 559 . 1 1 120 120 GLN N N 15 118.7 . . 1 . . . . 120 GLN N . 15787 1 560 . 1 1 121 121 MET H H 1 9.18 . . 1 . . . . 121 MET H . 15787 1 561 . 1 1 121 121 MET C C 13 177.3 . . 1 . . . . 121 MET C . 15787 1 562 . 1 1 121 121 MET CA C 13 52.0 . . 1 . . . . 121 MET CA . 15787 1 563 . 1 1 121 121 MET CB C 13 27.4 . . 1 . . . . 121 MET CB . 15787 1 564 . 1 1 121 121 MET N N 15 129.3 . . 1 . . . . 121 MET N . 15787 1 565 . 1 1 122 122 ASN H H 1 10.42 . . 1 . . . . 122 ASN H . 15787 1 566 . 1 1 122 122 ASN C C 13 173.2 . . 1 . . . . 122 ASN C . 15787 1 567 . 1 1 122 122 ASN CA C 13 53.0 . . 1 . . . . 122 ASN CA . 15787 1 568 . 1 1 122 122 ASN CB C 13 40.9 . . 1 . . . . 122 ASN CB . 15787 1 569 . 1 1 122 122 ASN N N 15 125.1 . . 1 . . . . 122 ASN N . 15787 1 570 . 1 1 123 123 TRP H H 1 8.83 . . 1 . . . . 123 TRP H . 15787 1 571 . 1 1 123 123 TRP CA C 13 53.8 . . 1 . . . . 123 TRP CA . 15787 1 572 . 1 1 123 123 TRP CB C 13 32.3 . . 1 . . . . 123 TRP CB . 15787 1 573 . 1 1 123 123 TRP N N 15 124.7 . . 1 . . . . 123 TRP N . 15787 1 574 . 1 1 125 125 PRO C C 13 173.6 . . 1 . . . . 125 PRO C . 15787 1 575 . 1 1 125 125 PRO CA C 13 61.2 . . 1 . . . . 125 PRO CA . 15787 1 576 . 1 1 125 125 PRO CB C 13 27.3 . . 1 . . . . 125 PRO CB . 15787 1 577 . 1 1 126 126 GLY H H 1 7.46 . . 1 . . . . 126 GLY H . 15787 1 578 . 1 1 126 126 GLY CA C 13 45.7 . . 1 . . . . 126 GLY CA . 15787 1 579 . 1 1 126 126 GLY N N 15 117.3 . . 1 . . . . 126 GLY N . 15787 1 stop_ save_