data_25150 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25150 _Entry.Title ; Solution structure of the human ubiquitin conjugating enzyme Ube2w ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-14 _Entry.Accession_date 2014-08-14 _Entry.Last_release_date 2016-09-28 _Entry.Original_release_date 2016-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Vinayak Vittal . . . . 25150 2 Lei Shi . . . . 25150 3 Dawn Wenzel . M. . . 25150 4 Peter Brzovic . S. . . 25150 5 Rachel Klevit . E. . . 25150 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25150 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID E2 . 25150 ube2w . 25150 ubiquitin . 25150 'ubiquitin conjugating enzyme' . 25150 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25150 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 25150 '15N chemical shifts' 113 25150 '1H chemical shifts' 230 25150 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 2 . . 2016-09-28 2014-08-14 update BMRB 'update entry citation' 25150 1 . . 2014-11-24 2014-08-14 original author 'original release' 25150 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MT6 'BMRB Entry Tracking System' 25150 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25150 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25436519 _Citation.Full_citation . _Citation.Title ; Intrinsic disorder drives N-terminal ubiquitination by Ube2w ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 83 _Citation.Page_last 89 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vinayak Vittal . . . . 25150 1 2 Lei Shi . . . . 25150 1 3 Dawn Wenzel . M. . . 25150 1 4 'K. Matthew' Scaglione . . . . 25150 1 5 Emily Duncan . D. . . 25150 1 6 Venkatesha Basrur . . . . 25150 1 7 Kojo Elenitoba-Johnson . S.J. . . 25150 1 8 David Baker . . . . 25150 1 9 Henry Paulson . L. . . 25150 1 10 Peter Brzovic . S. . . 25150 1 11 Rachel Klevit . E. . . 25150 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25150 _Assembly.ID 1 _Assembly.Name 'human ubiquitin conjugating enzyme Ube2w' _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 entity 1 $entity A . yes native no no . . . 25150 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25150 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MASMQKRLQKELLALQNDPP PGMTLNEKSVQNSITQWIVD MEGAPGTLYEGEKFQLLFKF SSRYPFDSPQVMFTGENIPV HPHVYSNGHICLSILTEDWS PALSVQSVCLSIISMLSSCK EKRRPPDNSFYVRTCNKNPK KTKWWYHDDTC ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17350.973 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 MET . 25150 1 2 2 ALA . 25150 1 3 3 SER . 25150 1 4 4 MET . 25150 1 5 5 GLN . 25150 1 6 6 LYS . 25150 1 7 7 ARG . 25150 1 8 8 LEU . 25150 1 9 9 GLN . 25150 1 10 10 LYS . 25150 1 11 11 GLU . 25150 1 12 12 LEU . 25150 1 13 13 LEU . 25150 1 14 14 ALA . 25150 1 15 15 LEU . 25150 1 16 16 GLN . 25150 1 17 17 ASN . 25150 1 18 18 ASP . 25150 1 19 19 PRO . 25150 1 20 20 PRO . 25150 1 21 21 PRO . 25150 1 22 22 GLY . 25150 1 23 23 MET . 25150 1 24 24 THR . 25150 1 25 25 LEU . 25150 1 26 26 ASN . 25150 1 27 27 GLU . 25150 1 28 28 LYS . 25150 1 29 29 SER . 25150 1 30 30 VAL . 25150 1 31 31 GLN . 25150 1 32 32 ASN . 25150 1 33 33 SER . 25150 1 34 34 ILE . 25150 1 35 35 THR . 25150 1 36 36 GLN . 25150 1 37 37 TRP . 25150 1 38 38 ILE . 25150 1 39 39 VAL . 25150 1 40 40 ASP . 25150 1 41 41 MET . 25150 1 42 42 GLU . 25150 1 43 43 GLY . 25150 1 44 44 ALA . 25150 1 45 45 PRO . 25150 1 46 46 GLY . 25150 1 47 47 THR . 25150 1 48 48 LEU . 25150 1 49 49 TYR . 25150 1 50 50 GLU . 25150 1 51 51 GLY . 25150 1 52 52 GLU . 25150 1 53 53 LYS . 25150 1 54 54 PHE . 25150 1 55 55 GLN . 25150 1 56 56 LEU . 25150 1 57 57 LEU . 25150 1 58 58 PHE . 25150 1 59 59 LYS . 25150 1 60 60 PHE . 25150 1 61 61 SER . 25150 1 62 62 SER . 25150 1 63 63 ARG . 25150 1 64 64 TYR . 25150 1 65 65 PRO . 25150 1 66 66 PHE . 25150 1 67 67 ASP . 25150 1 68 68 SER . 25150 1 69 69 PRO . 25150 1 70 70 GLN . 25150 1 71 71 VAL . 25150 1 72 72 MET . 25150 1 73 73 PHE . 25150 1 74 74 THR . 25150 1 75 75 GLY . 25150 1 76 76 GLU . 25150 1 77 77 ASN . 25150 1 78 78 ILE . 25150 1 79 79 PRO . 25150 1 80 80 VAL . 25150 1 81 81 HIS . 25150 1 82 82 PRO . 25150 1 83 83 HIS . 25150 1 84 84 VAL . 25150 1 85 85 TYR . 25150 1 86 86 SER . 25150 1 87 87 ASN . 25150 1 88 88 GLY . 25150 1 89 89 HIS . 25150 1 90 90 ILE . 25150 1 91 91 CYS . 25150 1 92 92 LEU . 25150 1 93 93 SER . 25150 1 94 94 ILE . 25150 1 95 95 LEU . 25150 1 96 96 THR . 25150 1 97 97 GLU . 25150 1 98 98 ASP . 25150 1 99 99 TRP . 25150 1 100 100 SER . 25150 1 101 101 PRO . 25150 1 102 102 ALA . 25150 1 103 103 LEU . 25150 1 104 104 SER . 25150 1 105 105 VAL . 25150 1 106 106 GLN . 25150 1 107 107 SER . 25150 1 108 108 VAL . 25150 1 109 109 CYS . 25150 1 110 110 LEU . 25150 1 111 111 SER . 25150 1 112 112 ILE . 25150 1 113 113 ILE . 25150 1 114 114 SER . 25150 1 115 115 MET . 25150 1 116 116 LEU . 25150 1 117 117 SER . 25150 1 118 118 SER . 25150 1 119 119 CYS . 25150 1 120 120 LYS . 25150 1 121 121 GLU . 25150 1 122 122 LYS . 25150 1 123 123 ARG . 25150 1 124 124 ARG . 25150 1 125 125 PRO . 25150 1 126 126 PRO . 25150 1 127 127 ASP . 25150 1 128 128 ASN . 25150 1 129 129 SER . 25150 1 130 130 PHE . 25150 1 131 131 TYR . 25150 1 132 132 VAL . 25150 1 133 133 ARG . 25150 1 134 134 THR . 25150 1 135 135 CYS . 25150 1 136 136 ASN . 25150 1 137 137 LYS . 25150 1 138 138 ASN . 25150 1 139 139 PRO . 25150 1 140 140 LYS . 25150 1 141 141 LYS . 25150 1 142 142 THR . 25150 1 143 143 LYS . 25150 1 144 144 TRP . 25150 1 145 145 TRP . 25150 1 146 146 TYR . 25150 1 147 147 HIS . 25150 1 148 148 ASP . 25150 1 149 149 ASP . 25150 1 150 150 THR . 25150 1 151 151 CYS . 25150 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 25150 1 . ALA 2 2 25150 1 . SER 3 3 25150 1 . MET 4 4 25150 1 . GLN 5 5 25150 1 . LYS 6 6 25150 1 . ARG 7 7 25150 1 . LEU 8 8 25150 1 . GLN 9 9 25150 1 . LYS 10 10 25150 1 . GLU 11 11 25150 1 . LEU 12 12 25150 1 . LEU 13 13 25150 1 . ALA 14 14 25150 1 . LEU 15 15 25150 1 . GLN 16 16 25150 1 . ASN 17 17 25150 1 . ASP 18 18 25150 1 . PRO 19 19 25150 1 . PRO 20 20 25150 1 . PRO 21 21 25150 1 . GLY 22 22 25150 1 . MET 23 23 25150 1 . THR 24 24 25150 1 . LEU 25 25 25150 1 . ASN 26 26 25150 1 . GLU 27 27 25150 1 . LYS 28 28 25150 1 . SER 29 29 25150 1 . VAL 30 30 25150 1 . GLN 31 31 25150 1 . ASN 32 32 25150 1 . SER 33 33 25150 1 . ILE 34 34 25150 1 . THR 35 35 25150 1 . GLN 36 36 25150 1 . TRP 37 37 25150 1 . ILE 38 38 25150 1 . VAL 39 39 25150 1 . ASP 40 40 25150 1 . MET 41 41 25150 1 . GLU 42 42 25150 1 . GLY 43 43 25150 1 . ALA 44 44 25150 1 . PRO 45 45 25150 1 . GLY 46 46 25150 1 . THR 47 47 25150 1 . LEU 48 48 25150 1 . TYR 49 49 25150 1 . GLU 50 50 25150 1 . GLY 51 51 25150 1 . GLU 52 52 25150 1 . LYS 53 53 25150 1 . PHE 54 54 25150 1 . GLN 55 55 25150 1 . LEU 56 56 25150 1 . LEU 57 57 25150 1 . PHE 58 58 25150 1 . LYS 59 59 25150 1 . PHE 60 60 25150 1 . SER 61 61 25150 1 . SER 62 62 25150 1 . ARG 63 63 25150 1 . TYR 64 64 25150 1 . PRO 65 65 25150 1 . PHE 66 66 25150 1 . ASP 67 67 25150 1 . SER 68 68 25150 1 . PRO 69 69 25150 1 . GLN 70 70 25150 1 . VAL 71 71 25150 1 . MET 72 72 25150 1 . PHE 73 73 25150 1 . THR 74 74 25150 1 . GLY 75 75 25150 1 . GLU 76 76 25150 1 . ASN 77 77 25150 1 . ILE 78 78 25150 1 . PRO 79 79 25150 1 . VAL 80 80 25150 1 . HIS 81 81 25150 1 . PRO 82 82 25150 1 . HIS 83 83 25150 1 . VAL 84 84 25150 1 . TYR 85 85 25150 1 . SER 86 86 25150 1 . ASN 87 87 25150 1 . GLY 88 88 25150 1 . HIS 89 89 25150 1 . ILE 90 90 25150 1 . CYS 91 91 25150 1 . LEU 92 92 25150 1 . SER 93 93 25150 1 . ILE 94 94 25150 1 . LEU 95 95 25150 1 . THR 96 96 25150 1 . GLU 97 97 25150 1 . ASP 98 98 25150 1 . TRP 99 99 25150 1 . SER 100 100 25150 1 . PRO 101 101 25150 1 . ALA 102 102 25150 1 . LEU 103 103 25150 1 . SER 104 104 25150 1 . VAL 105 105 25150 1 . GLN 106 106 25150 1 . SER 107 107 25150 1 . VAL 108 108 25150 1 . CYS 109 109 25150 1 . LEU 110 110 25150 1 . SER 111 111 25150 1 . ILE 112 112 25150 1 . ILE 113 113 25150 1 . SER 114 114 25150 1 . MET 115 115 25150 1 . LEU 116 116 25150 1 . SER 117 117 25150 1 . SER 118 118 25150 1 . CYS 119 119 25150 1 . LYS 120 120 25150 1 . GLU 121 121 25150 1 . LYS 122 122 25150 1 . ARG 123 123 25150 1 . ARG 124 124 25150 1 . PRO 125 125 25150 1 . PRO 126 126 25150 1 . ASP 127 127 25150 1 . ASN 128 128 25150 1 . SER 129 129 25150 1 . PHE 130 130 25150 1 . TYR 131 131 25150 1 . VAL 132 132 25150 1 . ARG 133 133 25150 1 . THR 134 134 25150 1 . CYS 135 135 25150 1 . ASN 136 136 25150 1 . LYS 137 137 25150 1 . ASN 138 138 25150 1 . PRO 139 139 25150 1 . LYS 140 140 25150 1 . LYS 141 141 25150 1 . THR 142 142 25150 1 . LYS 143 143 25150 1 . TRP 144 144 25150 1 . TRP 145 145 25150 1 . TYR 146 146 25150 1 . HIS 147 147 25150 1 . ASP 148 148 25150 1 . ASP 149 149 25150 1 . THR 150 150 25150 1 . CYS 151 151 25150 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 25150 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25150 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 25150 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . pET24 . . . 25150 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25150 _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 Ube2w '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 200 400 uM . . . . 25150 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 25150 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 25150 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 25150 _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' 150 . mM 25150 1 pH 7.0 . pH 25150 1 pressure 1 . atm 25150 1 temperature 273 . K 25150 1 stop_ save_ ############################ # Computer software used # ############################ save_CS-ROSETTA _Software.Sf_category software _Software.Sf_framecode CS-ROSETTA _Software.Entry_ID 25150 _Software.ID 1 _Software.Name CS-ROSETTA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 25150 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25150 1 'structure solution' 25150 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 25150 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25150 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25150 _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 DMX . 500 . . . 25150 1 2 spectrometer_2 Bruker INOVA . 600 . . . 25150 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 25150 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25150 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 25150 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25150 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25150 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25150 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 25150 _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 '3D HNCO' . . . 25150 1 2 '3D HNCA' . . . 25150 1 3 '3D HN(CO)CA' . . . 25150 1 4 '3D HNCACB' . . . 25150 1 5 '3D CBCA(CO)NH' . . . 25150 1 6 '2D 1H-15N HSQC' . . . 25150 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 6 6 LYS HA H 1 4.294 . . . . . . A 6 LYS HA . 25150 1 2 . 1 1 6 6 LYS C C 13 176.970 . . . . . . A 6 LYS C . 25150 1 3 . 1 1 6 6 LYS CA C 13 58.370 . . . . . . A 6 LYS CA . 25150 1 4 . 1 1 6 6 LYS CB C 13 32.480 . . . . . . A 6 LYS CB . 25150 1 5 . 1 1 7 7 ARG H H 1 8.599 . . . . . . A 7 ARG H . 25150 1 6 . 1 1 7 7 ARG HA H 1 4.198 . . . . . . A 7 ARG HA . 25150 1 7 . 1 1 7 7 ARG C C 13 178.270 . . . . . . A 7 ARG C . 25150 1 8 . 1 1 7 7 ARG CA C 13 59.030 . . . . . . A 7 ARG CA . 25150 1 9 . 1 1 7 7 ARG CB C 13 28.560 . . . . . . A 7 ARG CB . 25150 1 10 . 1 1 7 7 ARG N N 15 119.704 . . . . . . A 7 ARG N . 25150 1 11 . 1 1 8 8 LEU H H 1 8.599 . . . . . . A 8 LEU H . 25150 1 12 . 1 1 8 8 LEU HA H 1 4.090 . . . . . . A 8 LEU HA . 25150 1 13 . 1 1 8 8 LEU C C 13 178.980 . . . . . . A 8 LEU C . 25150 1 14 . 1 1 8 8 LEU CA C 13 58.290 . . . . . . A 8 LEU CA . 25150 1 15 . 1 1 8 8 LEU CB C 13 42.060 . . . . . . A 8 LEU CB . 25150 1 16 . 1 1 8 8 LEU N N 15 119.704 . . . . . . A 8 LEU N . 25150 1 17 . 1 1 9 9 GLN H H 1 8.066 . . . . . . A 9 GLN H . 25150 1 18 . 1 1 9 9 GLN HA H 1 4.037 . . . . . . A 9 GLN HA . 25150 1 19 . 1 1 9 9 GLN C C 13 178.610 . . . . . . A 9 GLN C . 25150 1 20 . 1 1 9 9 GLN CA C 13 59.310 . . . . . . A 9 GLN CA . 25150 1 21 . 1 1 9 9 GLN CB C 13 28.480 . . . . . . A 9 GLN CB . 25150 1 22 . 1 1 9 9 GLN N N 15 117.512 . . . . . . A 9 GLN N . 25150 1 23 . 1 1 10 10 LYS H H 1 7.678 . . . . . . A 10 LYS H . 25150 1 24 . 1 1 10 10 LYS HA H 1 4.080 . . . . . . A 10 LYS HA . 25150 1 25 . 1 1 10 10 LYS C C 13 180.040 . . . . . . A 10 LYS C . 25150 1 26 . 1 1 10 10 LYS CA C 13 59.680 . . . . . . A 10 LYS CA . 25150 1 27 . 1 1 10 10 LYS CB C 13 32.460 . . . . . . A 10 LYS CB . 25150 1 28 . 1 1 10 10 LYS N N 15 119.556 . . . . . . A 10 LYS N . 25150 1 29 . 1 1 11 11 GLU H H 1 8.533 . . . . . . A 11 GLU H . 25150 1 30 . 1 1 11 11 GLU HA H 1 4.176 . . . . . . A 11 GLU HA . 25150 1 31 . 1 1 11 11 GLU C C 13 178.770 . . . . . . A 11 GLU C . 25150 1 32 . 1 1 11 11 GLU CA C 13 61.040 . . . . . . A 11 GLU CA . 25150 1 33 . 1 1 11 11 GLU CB C 13 30.660 . . . . . . A 11 GLU CB . 25150 1 34 . 1 1 11 11 GLU N N 15 120.347 . . . . . . A 11 GLU N . 25150 1 35 . 1 1 12 12 LEU H H 1 8.685 . . . . . . A 12 LEU H . 25150 1 36 . 1 1 12 12 LEU C C 13 178.570 . . . . . . A 12 LEU C . 25150 1 37 . 1 1 12 12 LEU CA C 13 58.120 . . . . . . A 12 LEU CA . 25150 1 38 . 1 1 12 12 LEU CB C 13 41.080 . . . . . . A 12 LEU CB . 25150 1 39 . 1 1 12 12 LEU N N 15 123.285 . . . . . . A 12 LEU N . 25150 1 40 . 1 1 13 13 LEU H H 1 7.588 . . . . . . A 13 LEU H . 25150 1 41 . 1 1 13 13 LEU HA H 1 3.997 . . . . . . A 13 LEU HA . 25150 1 42 . 1 1 13 13 LEU C C 13 179.260 . . . . . . A 13 LEU C . 25150 1 43 . 1 1 13 13 LEU CA C 13 57.900 . . . . . . A 13 LEU CA . 25150 1 44 . 1 1 13 13 LEU CB C 13 41.890 . . . . . . A 13 LEU CB . 25150 1 45 . 1 1 13 13 LEU N N 15 118.881 . . . . . . A 13 LEU N . 25150 1 46 . 1 1 14 14 ALA H H 1 7.617 . . . . . . A 14 ALA H . 25150 1 47 . 1 1 14 14 ALA HA H 1 4.190 . . . . . . A 14 ALA HA . 25150 1 48 . 1 1 14 14 ALA C C 13 176.270 . . . . . . A 14 ALA C . 25150 1 49 . 1 1 14 14 ALA CA C 13 55.190 . . . . . . A 14 ALA CA . 25150 1 50 . 1 1 14 14 ALA CB C 13 18.030 . . . . . . A 14 ALA CB . 25150 1 51 . 1 1 14 14 ALA N N 15 120.667 . . . . . . A 14 ALA N . 25150 1 52 . 1 1 15 15 LEU H H 1 7.726 . . . . . . A 15 LEU H . 25150 1 53 . 1 1 15 15 LEU CA C 13 57.450 . . . . . . A 15 LEU CA . 25150 1 54 . 1 1 15 15 LEU CB C 13 42.260 . . . . . . A 15 LEU CB . 25150 1 55 . 1 1 15 15 LEU N N 15 119.965 . . . . . . A 15 LEU N . 25150 1 56 . 1 1 16 16 GLN H H 1 8.028 . . . . . . A 16 GLN H . 25150 1 57 . 1 1 16 16 GLN HA H 1 3.978 . . . . . . A 16 GLN HA . 25150 1 58 . 1 1 16 16 GLN C C 13 177.950 . . . . . . A 16 GLN C . 25150 1 59 . 1 1 16 16 GLN CA C 13 58.460 . . . . . . A 16 GLN CA . 25150 1 60 . 1 1 16 16 GLN CB C 13 29.790 . . . . . . A 16 GLN CB . 25150 1 61 . 1 1 16 16 GLN N N 15 115.381 . . . . . . A 16 GLN N . 25150 1 62 . 1 1 17 17 ASN H H 1 8.136 . . . . . . A 17 ASN H . 25150 1 63 . 1 1 17 17 ASN HA H 1 4.630 . . . . . . A 17 ASN HA . 25150 1 64 . 1 1 17 17 ASN C C 13 175.303 . . . . . . A 17 ASN C . 25150 1 65 . 1 1 17 17 ASN CA C 13 54.880 . . . . . . A 17 ASN CA . 25150 1 66 . 1 1 17 17 ASN CB C 13 39.850 . . . . . . A 17 ASN CB . 25150 1 67 . 1 1 17 17 ASN N N 15 114.975 . . . . . . A 17 ASN N . 25150 1 68 . 1 1 18 18 ASP H H 1 8.218 . . . . . . A 18 ASP H . 25150 1 69 . 1 1 18 18 ASP CA C 13 52.460 . . . . . . A 18 ASP CA . 25150 1 70 . 1 1 18 18 ASP CB C 13 41.510 . . . . . . A 18 ASP CB . 25150 1 71 . 1 1 18 18 ASP N N 15 119.698 . . . . . . A 18 ASP N . 25150 1 72 . 1 1 21 21 PRO HA H 1 4.315 . . . . . . A 21 PRO HA . 25150 1 73 . 1 1 21 21 PRO C C 13 177.867 . . . . . . A 21 PRO C . 25150 1 74 . 1 1 21 21 PRO CA C 13 63.820 . . . . . . A 21 PRO CA . 25150 1 75 . 1 1 21 21 PRO CB C 13 31.570 . . . . . . A 21 PRO CB . 25150 1 76 . 1 1 22 22 GLY H H 1 8.506 . . . . . . A 22 GLY H . 25150 1 77 . 1 1 22 22 GLY HA2 H 1 4.305 . . . . . . A 22 GLY HA2 . 25150 1 78 . 1 1 22 22 GLY C C 13 174.342 . . . . . . A 22 GLY C . 25150 1 79 . 1 1 22 22 GLY CA C 13 45.990 . . . . . . A 22 GLY CA . 25150 1 80 . 1 1 22 22 GLY N N 15 111.293 . . . . . . A 22 GLY N . 25150 1 81 . 1 1 23 23 MET H H 1 8.017 . . . . . . A 23 MET H . 25150 1 82 . 1 1 23 23 MET HA H 1 5.699 . . . . . . A 23 MET HA . 25150 1 83 . 1 1 23 23 MET C C 13 175.386 . . . . . . A 23 MET C . 25150 1 84 . 1 1 23 23 MET CA C 13 55.270 . . . . . . A 23 MET CA . 25150 1 85 . 1 1 23 23 MET CB C 13 35.890 . . . . . . A 23 MET CB . 25150 1 86 . 1 1 23 23 MET N N 15 118.966 . . . . . . A 23 MET N . 25150 1 87 . 1 1 24 24 THR H H 1 8.565 . . . . . . A 24 THR H . 25150 1 88 . 1 1 24 24 THR HA H 1 4.596 . . . . . . A 24 THR HA . 25150 1 89 . 1 1 24 24 THR C C 13 173.407 . . . . . . A 24 THR C . 25150 1 90 . 1 1 24 24 THR CA C 13 60.850 . . . . . . A 24 THR CA . 25150 1 91 . 1 1 24 24 THR CB C 13 72.360 . . . . . . A 24 THR CB . 25150 1 92 . 1 1 24 24 THR N N 15 112.647 . . . . . . A 24 THR N . 25150 1 93 . 1 1 25 25 LEU H H 1 9.189 . . . . . . A 25 LEU H . 25150 1 94 . 1 1 25 25 LEU HA H 1 4.296 . . . . . . A 25 LEU HA . 25150 1 95 . 1 1 25 25 LEU C C 13 175.624 . . . . . . A 25 LEU C . 25150 1 96 . 1 1 25 25 LEU CA C 13 56.170 . . . . . . A 25 LEU CA . 25150 1 97 . 1 1 25 25 LEU CB C 13 42.710 . . . . . . A 25 LEU CB . 25150 1 98 . 1 1 25 25 LEU N N 15 126.920 . . . . . . A 25 LEU N . 25150 1 99 . 1 1 26 26 ASN H H 1 9.000 . . . . . . A 26 ASN H . 25150 1 100 . 1 1 26 26 ASN C C 13 173.783 . . . . . . A 26 ASN C . 25150 1 101 . 1 1 26 26 ASN CA C 13 54.100 . . . . . . A 26 ASN CA . 25150 1 102 . 1 1 26 26 ASN CB C 13 40.370 . . . . . . A 26 ASN CB . 25150 1 103 . 1 1 26 26 ASN N N 15 127.108 . . . . . . A 26 ASN N . 25150 1 104 . 1 1 27 27 GLU H H 1 7.631 . . . . . . A 27 GLU H . 25150 1 105 . 1 1 27 27 GLU CA C 13 56.610 . . . . . . A 27 GLU CA . 25150 1 106 . 1 1 27 27 GLU N N 15 108.990 . . . . . . A 27 GLU N . 25150 1 107 . 1 1 30 30 VAL C C 13 177.011 . . . . . . A 30 VAL C . 25150 1 108 . 1 1 30 30 VAL CA C 13 55.230 . . . . . . A 30 VAL CA . 25150 1 109 . 1 1 30 30 VAL CB C 13 30.860 . . . . . . A 30 VAL CB . 25150 1 110 . 1 1 31 31 GLN H H 1 7.880 . . . . . . A 31 GLN H . 25150 1 111 . 1 1 31 31 GLN CA C 13 58.430 . . . . . . A 31 GLN CA . 25150 1 112 . 1 1 31 31 GLN CB C 13 29.130 . . . . . . A 31 GLN CB . 25150 1 113 . 1 1 31 31 GLN N N 15 125.960 . . . . . . A 31 GLN N . 25150 1 114 . 1 1 34 34 ILE HA H 1 4.660 . . . . . . A 34 ILE HA . 25150 1 115 . 1 1 34 34 ILE C C 13 178.642 . . . . . . A 34 ILE C . 25150 1 116 . 1 1 34 34 ILE CA C 13 54.970 . . . . . . A 34 ILE CA . 25150 1 117 . 1 1 34 34 ILE CB C 13 42.000 . . . . . . A 34 ILE CB . 25150 1 118 . 1 1 35 35 THR H H 1 7.825 . . . . . . A 35 THR H . 25150 1 119 . 1 1 35 35 THR CA C 13 61.070 . . . . . . A 35 THR CA . 25150 1 120 . 1 1 35 35 THR CB C 13 69.090 . . . . . . A 35 THR CB . 25150 1 121 . 1 1 35 35 THR N N 15 110.980 . . . . . . A 35 THR N . 25150 1 122 . 1 1 36 36 GLN HA H 1 5.624 . . . . . . A 36 GLN HA . 25150 1 123 . 1 1 36 36 GLN C C 13 174.178 . . . . . . A 36 GLN C . 25150 1 124 . 1 1 36 36 GLN CA C 13 55.090 . . . . . . A 36 GLN CA . 25150 1 125 . 1 1 36 36 GLN CB C 13 32.290 . . . . . . A 36 GLN CB . 25150 1 126 . 1 1 37 37 TRP H H 1 9.242 . . . . . . A 37 TRP H . 25150 1 127 . 1 1 37 37 TRP HA H 1 5.576 . . . . . . A 37 TRP HA . 25150 1 128 . 1 1 37 37 TRP C C 13 174.959 . . . . . . A 37 TRP C . 25150 1 129 . 1 1 37 37 TRP CA C 13 53.630 . . . . . . A 37 TRP CA . 25150 1 130 . 1 1 37 37 TRP CB C 13 32.950 . . . . . . A 37 TRP CB . 25150 1 131 . 1 1 37 37 TRP N N 15 123.942 . . . . . . A 37 TRP N . 25150 1 132 . 1 1 38 38 ILE H H 1 8.778 . . . . . . A 38 ILE H . 25150 1 133 . 1 1 38 38 ILE HA H 1 5.279 . . . . . . A 38 ILE HA . 25150 1 134 . 1 1 38 38 ILE CA C 13 59.430 . . . . . . A 38 ILE CA . 25150 1 135 . 1 1 38 38 ILE CB C 13 39.240 . . . . . . A 38 ILE CB . 25150 1 136 . 1 1 38 38 ILE N N 15 121.559 . . . . . . A 38 ILE N . 25150 1 137 . 1 1 39 39 VAL H H 1 9.533 . . . . . . A 39 VAL H . 25150 1 138 . 1 1 39 39 VAL HA H 1 4.581 . . . . . . A 39 VAL HA . 25150 1 139 . 1 1 39 39 VAL C C 13 175.175 . . . . . . A 39 VAL C . 25150 1 140 . 1 1 39 39 VAL CA C 13 61.250 . . . . . . A 39 VAL CA . 25150 1 141 . 1 1 39 39 VAL CB C 13 35.850 . . . . . . A 39 VAL CB . 25150 1 142 . 1 1 39 39 VAL N N 15 128.719 . . . . . . A 39 VAL N . 25150 1 143 . 1 1 40 40 ASP H H 1 9.165 . . . . . . A 40 ASP H . 25150 1 144 . 1 1 40 40 ASP HA H 1 5.218 . . . . . . A 40 ASP HA . 25150 1 145 . 1 1 40 40 ASP C C 13 175.157 . . . . . . A 40 ASP C . 25150 1 146 . 1 1 40 40 ASP CA C 13 55.310 . . . . . . A 40 ASP CA . 25150 1 147 . 1 1 40 40 ASP CB C 13 42.500 . . . . . . A 40 ASP CB . 25150 1 148 . 1 1 40 40 ASP N N 15 128.451 . . . . . . A 40 ASP N . 25150 1 149 . 1 1 41 41 MET H H 1 8.756 . . . . . . A 41 MET H . 25150 1 150 . 1 1 41 41 MET HA H 1 5.467 . . . . . . A 41 MET HA . 25150 1 151 . 1 1 41 41 MET C C 13 173.590 . . . . . . A 41 MET C . 25150 1 152 . 1 1 41 41 MET CA C 13 54.610 . . . . . . A 41 MET CA . 25150 1 153 . 1 1 41 41 MET CB C 13 37.490 . . . . . . A 41 MET CB . 25150 1 154 . 1 1 41 41 MET N N 15 120.544 . . . . . . A 41 MET N . 25150 1 155 . 1 1 42 42 GLU H H 1 8.706 . . . . . . A 42 GLU H . 25150 1 156 . 1 1 42 42 GLU HA H 1 5.010 . . . . . . A 42 GLU HA . 25150 1 157 . 1 1 42 42 GLU C C 13 177.323 . . . . . . A 42 GLU C . 25150 1 158 . 1 1 42 42 GLU CA C 13 54.480 . . . . . . A 42 GLU CA . 25150 1 159 . 1 1 42 42 GLU CB C 13 32.260 . . . . . . A 42 GLU CB . 25150 1 160 . 1 1 42 42 GLU N N 15 125.740 . . . . . . A 42 GLU N . 25150 1 161 . 1 1 43 43 GLY H H 1 8.917 . . . . . . A 43 GLY H . 25150 1 162 . 1 1 43 43 GLY HA2 H 1 3.971 . . . . . . A 43 GLY HA2 . 25150 1 163 . 1 1 43 43 GLY C C 13 174.121 . . . . . . A 43 GLY C . 25150 1 164 . 1 1 43 43 GLY CA C 13 45.390 . . . . . . A 43 GLY CA . 25150 1 165 . 1 1 43 43 GLY N N 15 111.314 . . . . . . A 43 GLY N . 25150 1 166 . 1 1 44 44 ALA H H 1 8.918 . . . . . . A 44 ALA H . 25150 1 167 . 1 1 44 44 ALA CA C 13 51.060 . . . . . . A 44 ALA CA . 25150 1 168 . 1 1 44 44 ALA CB C 13 18.470 . . . . . . A 44 ALA CB . 25150 1 169 . 1 1 44 44 ALA N N 15 128.665 . . . . . . A 44 ALA N . 25150 1 170 . 1 1 45 45 PRO HA H 1 4.300 . . . . . . A 45 PRO HA . 25150 1 171 . 1 1 45 45 PRO C C 13 177.598 . . . . . . A 45 PRO C . 25150 1 172 . 1 1 45 45 PRO CA C 13 63.410 . . . . . . A 45 PRO CA . 25150 1 173 . 1 1 45 45 PRO CB C 13 31.790 . . . . . . A 45 PRO CB . 25150 1 174 . 1 1 46 46 GLY H H 1 9.449 . . . . . . A 46 GLY H . 25150 1 175 . 1 1 46 46 GLY HA2 H 1 3.828 . . . . . . A 46 GLY HA2 . 25150 1 176 . 1 1 46 46 GLY C C 13 174.290 . . . . . . A 46 GLY C . 25150 1 177 . 1 1 46 46 GLY CA C 13 45.910 . . . . . . A 46 GLY CA . 25150 1 178 . 1 1 46 46 GLY N N 15 111.319 . . . . . . A 46 GLY N . 25150 1 179 . 1 1 47 47 THR H H 1 7.426 . . . . . . A 47 THR H . 25150 1 180 . 1 1 47 47 THR HA H 1 4.801 . . . . . . A 47 THR HA . 25150 1 181 . 1 1 47 47 THR C C 13 176.158 . . . . . . A 47 THR C . 25150 1 182 . 1 1 47 47 THR CA C 13 60.380 . . . . . . A 47 THR CA . 25150 1 183 . 1 1 47 47 THR CB C 13 73.420 . . . . . . A 47 THR CB . 25150 1 184 . 1 1 47 47 THR N N 15 107.981 . . . . . . A 47 THR N . 25150 1 185 . 1 1 48 48 LEU H H 1 8.966 . . . . . . A 48 LEU H . 25150 1 186 . 1 1 48 48 LEU HA H 1 4.057 . . . . . . A 48 LEU HA . 25150 1 187 . 1 1 48 48 LEU C C 13 175.907 . . . . . . A 48 LEU C . 25150 1 188 . 1 1 48 48 LEU CA C 13 56.490 . . . . . . A 48 LEU CA . 25150 1 189 . 1 1 48 48 LEU CB C 13 41.620 . . . . . . A 48 LEU CB . 25150 1 190 . 1 1 48 48 LEU N N 15 119.132 . . . . . . A 48 LEU N . 25150 1 191 . 1 1 49 49 TYR H H 1 7.205 . . . . . . A 49 TYR H . 25150 1 192 . 1 1 49 49 TYR HA H 1 4.825 . . . . . . A 49 TYR HA . 25150 1 193 . 1 1 49 49 TYR C C 13 174.634 . . . . . . A 49 TYR C . 25150 1 194 . 1 1 49 49 TYR CA C 13 56.110 . . . . . . A 49 TYR CA . 25150 1 195 . 1 1 49 49 TYR CB C 13 38.390 . . . . . . A 49 TYR CB . 25150 1 196 . 1 1 49 49 TYR N N 15 113.649 . . . . . . A 49 TYR N . 25150 1 197 . 1 1 50 50 GLU H H 1 6.934 . . . . . . A 50 GLU H . 25150 1 198 . 1 1 50 50 GLU HA H 1 3.477 . . . . . . A 50 GLU HA . 25150 1 199 . 1 1 50 50 GLU C C 13 177.182 . . . . . . A 50 GLU C . 25150 1 200 . 1 1 50 50 GLU CA C 13 58.100 . . . . . . A 50 GLU CA . 25150 1 201 . 1 1 50 50 GLU CB C 13 30.040 . . . . . . A 50 GLU CB . 25150 1 202 . 1 1 50 50 GLU N N 15 122.006 . . . . . . A 50 GLU N . 25150 1 203 . 1 1 51 51 GLY H H 1 8.752 . . . . . . A 51 GLY H . 25150 1 204 . 1 1 51 51 GLY HA2 H 1 3.719 . . . . . . A 51 GLY HA2 . 25150 1 205 . 1 1 51 51 GLY C C 13 173.997 . . . . . . A 51 GLY C . 25150 1 206 . 1 1 51 51 GLY CA C 13 45.500 . . . . . . A 51 GLY CA . 25150 1 207 . 1 1 51 51 GLY N N 15 115.165 . . . . . . A 51 GLY N . 25150 1 208 . 1 1 52 52 GLU H H 1 7.900 . . . . . . A 52 GLU H . 25150 1 209 . 1 1 52 52 GLU HA H 1 3.970 . . . . . . A 52 GLU HA . 25150 1 210 . 1 1 52 52 GLU CA C 13 56.440 . . . . . . A 52 GLU CA . 25150 1 211 . 1 1 52 52 GLU CB C 13 32.700 . . . . . . A 52 GLU CB . 25150 1 212 . 1 1 52 52 GLU N N 15 120.251 . . . . . . A 52 GLU N . 25150 1 213 . 1 1 53 53 LYS H H 1 8.046 . . . . . . A 53 LYS H . 25150 1 214 . 1 1 53 53 LYS HA H 1 4.686 . . . . . . A 53 LYS HA . 25150 1 215 . 1 1 53 53 LYS C C 13 175.285 . . . . . . A 53 LYS C . 25150 1 216 . 1 1 53 53 LYS CA C 13 55.380 . . . . . . A 53 LYS CA . 25150 1 217 . 1 1 53 53 LYS CB C 13 34.060 . . . . . . A 53 LYS CB . 25150 1 218 . 1 1 53 53 LYS N N 15 120.435 . . . . . . A 53 LYS N . 25150 1 219 . 1 1 54 54 PHE H H 1 9.082 . . . . . . A 54 PHE H . 25150 1 220 . 1 1 54 54 PHE HA H 1 5.520 . . . . . . A 54 PHE HA . 25150 1 221 . 1 1 54 54 PHE C C 13 175.151 . . . . . . A 54 PHE C . 25150 1 222 . 1 1 54 54 PHE CA C 13 54.690 . . . . . . A 54 PHE CA . 25150 1 223 . 1 1 54 54 PHE CB C 13 43.600 . . . . . . A 54 PHE CB . 25150 1 224 . 1 1 54 54 PHE N N 15 122.724 . . . . . . A 54 PHE N . 25150 1 225 . 1 1 55 55 GLN H H 1 10.001 . . . . . . A 55 GLN H . 25150 1 226 . 1 1 55 55 GLN HA H 1 5.351 . . . . . . A 55 GLN HA . 25150 1 227 . 1 1 55 55 GLN C C 13 173.802 . . . . . . A 55 GLN C . 25150 1 228 . 1 1 55 55 GLN CA C 13 56.200 . . . . . . A 55 GLN CA . 25150 1 229 . 1 1 55 55 GLN CB C 13 34.320 . . . . . . A 55 GLN CB . 25150 1 230 . 1 1 55 55 GLN N N 15 121.971 . . . . . . A 55 GLN N . 25150 1 231 . 1 1 56 56 LEU H H 1 9.573 . . . . . . A 56 LEU H . 25150 1 232 . 1 1 56 56 LEU HA H 1 4.692 . . . . . . A 56 LEU HA . 25150 1 233 . 1 1 56 56 LEU C C 13 174.265 . . . . . . A 56 LEU C . 25150 1 234 . 1 1 56 56 LEU CA C 13 53.420 . . . . . . A 56 LEU CA . 25150 1 235 . 1 1 56 56 LEU CB C 13 46.690 . . . . . . A 56 LEU CB . 25150 1 236 . 1 1 56 56 LEU N N 15 124.898 . . . . . . A 56 LEU N . 25150 1 237 . 1 1 57 57 LEU H H 1 8.890 . . . . . . A 57 LEU H . 25150 1 238 . 1 1 57 57 LEU HA H 1 5.170 . . . . . . A 57 LEU HA . 25150 1 239 . 1 1 57 57 LEU C C 13 174.551 . . . . . . A 57 LEU C . 25150 1 240 . 1 1 57 57 LEU CA C 13 53.670 . . . . . . A 57 LEU CA . 25150 1 241 . 1 1 57 57 LEU CB C 13 45.520 . . . . . . A 57 LEU CB . 25150 1 242 . 1 1 57 57 LEU N N 15 124.234 . . . . . . A 57 LEU N . 25150 1 243 . 1 1 58 58 PHE H H 1 9.134 . . . . . . A 58 PHE H . 25150 1 244 . 1 1 58 58 PHE HA H 1 4.750 . . . . . . A 58 PHE HA . 25150 1 245 . 1 1 58 58 PHE C C 13 174.407 . . . . . . A 58 PHE C . 25150 1 246 . 1 1 58 58 PHE CA C 13 56.000 . . . . . . A 58 PHE CA . 25150 1 247 . 1 1 58 58 PHE CB C 13 42.940 . . . . . . A 58 PHE CB . 25150 1 248 . 1 1 58 58 PHE N N 15 124.003 . . . . . . A 58 PHE N . 25150 1 249 . 1 1 59 59 LYS H H 1 8.732 . . . . . . A 59 LYS H . 25150 1 250 . 1 1 59 59 LYS HA H 1 4.883 . . . . . . A 59 LYS HA . 25150 1 251 . 1 1 59 59 LYS C C 13 175.192 . . . . . . A 59 LYS C . 25150 1 252 . 1 1 59 59 LYS CA C 13 54.820 . . . . . . A 59 LYS CA . 25150 1 253 . 1 1 59 59 LYS CB C 13 35.530 . . . . . . A 59 LYS CB . 25150 1 254 . 1 1 59 59 LYS N N 15 120.089 . . . . . . A 59 LYS N . 25150 1 255 . 1 1 60 60 PHE H H 1 8.649 . . . . . . A 60 PHE H . 25150 1 256 . 1 1 60 60 PHE HA H 1 4.304 . . . . . . A 60 PHE HA . 25150 1 257 . 1 1 60 60 PHE C C 13 174.636 . . . . . . A 60 PHE C . 25150 1 258 . 1 1 60 60 PHE CA C 13 57.250 . . . . . . A 60 PHE CA . 25150 1 259 . 1 1 60 60 PHE CB C 13 41.160 . . . . . . A 60 PHE CB . 25150 1 260 . 1 1 60 60 PHE N N 15 123.988 . . . . . . A 60 PHE N . 25150 1 261 . 1 1 61 61 SER H H 1 8.066 . . . . . . A 61 SER H . 25150 1 262 . 1 1 61 61 SER C C 13 174.771 . . . . . . A 61 SER C . 25150 1 263 . 1 1 61 61 SER CA C 13 57.130 . . . . . . A 61 SER CA . 25150 1 264 . 1 1 61 61 SER CB C 13 66.030 . . . . . . A 61 SER CB . 25150 1 265 . 1 1 61 61 SER N N 15 117.599 . . . . . . A 61 SER N . 25150 1 266 . 1 1 62 62 SER H H 1 8.265 . . . . . . A 62 SER H . 25150 1 267 . 1 1 62 62 SER CA C 13 61.650 . . . . . . A 62 SER CA . 25150 1 268 . 1 1 62 62 SER N N 15 119.994 . . . . . . A 62 SER N . 25150 1 269 . 1 1 63 63 ARG HA H 1 4.450 . . . . . . A 63 ARG HA . 25150 1 270 . 1 1 63 63 ARG C C 13 175.086 . . . . . . A 63 ARG C . 25150 1 271 . 1 1 63 63 ARG CA C 13 57.670 . . . . . . A 63 ARG CA . 25150 1 272 . 1 1 63 63 ARG CB C 13 30.050 . . . . . . A 63 ARG CB . 25150 1 273 . 1 1 64 64 TYR H H 1 7.471 . . . . . . A 64 TYR H . 25150 1 274 . 1 1 64 64 TYR CA C 13 59.680 . . . . . . A 64 TYR CA . 25150 1 275 . 1 1 64 64 TYR CB C 13 38.720 . . . . . . A 64 TYR CB . 25150 1 276 . 1 1 64 64 TYR N N 15 120.957 . . . . . . A 64 TYR N . 25150 1 277 . 1 1 65 65 PRO HA H 1 3.670 . . . . . . A 65 PRO HA . 25150 1 278 . 1 1 65 65 PRO C C 13 174.345 . . . . . . A 65 PRO C . 25150 1 279 . 1 1 65 65 PRO CA C 13 63.460 . . . . . . A 65 PRO CA . 25150 1 280 . 1 1 65 65 PRO CB C 13 33.370 . . . . . . A 65 PRO CB . 25150 1 281 . 1 1 66 66 PHE H H 1 8.630 . . . . . . A 66 PHE H . 25150 1 282 . 1 1 66 66 PHE HA H 1 4.243 . . . . . . A 66 PHE HA . 25150 1 283 . 1 1 66 66 PHE C C 13 175.867 . . . . . . A 66 PHE C . 25150 1 284 . 1 1 66 66 PHE CA C 13 61.080 . . . . . . A 66 PHE CA . 25150 1 285 . 1 1 66 66 PHE CB C 13 38.010 . . . . . . A 66 PHE CB . 25150 1 286 . 1 1 66 66 PHE N N 15 126.070 . . . . . . A 66 PHE N . 25150 1 287 . 1 1 67 67 ASP H H 1 7.126 . . . . . . A 67 ASP H . 25150 1 288 . 1 1 67 67 ASP HA H 1 3.959 . . . . . . A 67 ASP HA . 25150 1 289 . 1 1 67 67 ASP CA C 13 5.630 . . . . . . A 67 ASP CA . 25150 1 290 . 1 1 67 67 ASP CB C 13 34.840 . . . . . . A 67 ASP CB . 25150 1 291 . 1 1 67 67 ASP N N 15 118.021 . . . . . . A 67 ASP N . 25150 1 292 . 1 1 68 68 SER H H 1 8.091 . . . . . . A 68 SER H . 25150 1 293 . 1 1 68 68 SER CA C 13 55.750 . . . . . . A 68 SER CA . 25150 1 294 . 1 1 68 68 SER CB C 13 61.900 . . . . . . A 68 SER CB . 25150 1 295 . 1 1 68 68 SER N N 15 120.730 . . . . . . A 68 SER N . 25150 1 296 . 1 1 69 69 PRO HA H 1 4.356 . . . . . . A 69 PRO HA . 25150 1 297 . 1 1 69 69 PRO CA C 13 62.080 . . . . . . A 69 PRO CA . 25150 1 298 . 1 1 69 69 PRO CB C 13 32.710 . . . . . . A 69 PRO CB . 25150 1 299 . 1 1 70 70 GLN H H 1 8.049 . . . . . . A 70 GLN H . 25150 1 300 . 1 1 70 70 GLN CA C 13 55.070 . . . . . . A 70 GLN CA . 25150 1 301 . 1 1 70 70 GLN CB C 13 30.490 . . . . . . A 70 GLN CB . 25150 1 302 . 1 1 70 70 GLN N N 15 119.493 . . . . . . A 70 GLN N . 25150 1 303 . 1 1 71 71 VAL HA H 1 4.400 . . . . . . A 71 VAL HA . 25150 1 304 . 1 1 71 71 VAL CA C 13 59.810 . . . . . . A 71 VAL CA . 25150 1 305 . 1 1 71 71 VAL CB C 13 32.840 . . . . . . A 71 VAL CB . 25150 1 306 . 1 1 72 72 MET H H 1 8.245 . . . . . . A 72 MET H . 25150 1 307 . 1 1 72 72 MET HA H 1 4.731 . . . . . . A 72 MET HA . 25150 1 308 . 1 1 72 72 MET C C 13 174.779 . . . . . . A 72 MET C . 25150 1 309 . 1 1 72 72 MET CA C 13 54.390 . . . . . . A 72 MET CA . 25150 1 310 . 1 1 72 72 MET CB C 13 36.140 . . . . . . A 72 MET CB . 25150 1 311 . 1 1 72 72 MET N N 15 120.767 . . . . . . A 72 MET N . 25150 1 312 . 1 1 73 73 PHE H H 1 9.193 . . . . . . A 73 PHE H . 25150 1 313 . 1 1 73 73 PHE HA H 1 5.214 . . . . . . A 73 PHE HA . 25150 1 314 . 1 1 73 73 PHE C C 13 175.404 . . . . . . A 73 PHE C . 25150 1 315 . 1 1 73 73 PHE CA C 13 59.580 . . . . . . A 73 PHE CA . 25150 1 316 . 1 1 73 73 PHE CB C 13 40.620 . . . . . . A 73 PHE CB . 25150 1 317 . 1 1 73 73 PHE N N 15 120.458 . . . . . . A 73 PHE N . 25150 1 318 . 1 1 74 74 THR H H 1 8.894 . . . . . . A 74 THR H . 25150 1 319 . 1 1 74 74 THR HA H 1 4.777 . . . . . . A 74 THR HA . 25150 1 320 . 1 1 74 74 THR C C 13 173.551 . . . . . . A 74 THR C . 25150 1 321 . 1 1 74 74 THR CA C 13 59.580 . . . . . . A 74 THR CA . 25150 1 322 . 1 1 74 74 THR CB C 13 71.300 . . . . . . A 74 THR CB . 25150 1 323 . 1 1 74 74 THR N N 15 113.842 . . . . . . A 74 THR N . 25150 1 324 . 1 1 75 75 GLY H H 1 8.058 . . . . . . A 75 GLY H . 25150 1 325 . 1 1 75 75 GLY HA2 H 1 3.838 . . . . . . A 75 GLY HA2 . 25150 1 326 . 1 1 75 75 GLY C C 13 173.980 . . . . . . A 75 GLY C . 25150 1 327 . 1 1 75 75 GLY CA C 13 44.710 . . . . . . A 75 GLY CA . 25150 1 328 . 1 1 75 75 GLY N N 15 109.259 . . . . . . A 75 GLY N . 25150 1 329 . 1 1 76 76 GLU H H 1 8.356 . . . . . . A 76 GLU H . 25150 1 330 . 1 1 76 76 GLU HA H 1 4.141 . . . . . . A 76 GLU HA . 25150 1 331 . 1 1 76 76 GLU C C 13 176.624 . . . . . . A 76 GLU C . 25150 1 332 . 1 1 76 76 GLU CA C 13 58.040 . . . . . . A 76 GLU CA . 25150 1 333 . 1 1 76 76 GLU CB C 13 30.910 . . . . . . A 76 GLU CB . 25150 1 334 . 1 1 76 76 GLU N N 15 116.661 . . . . . . A 76 GLU N . 25150 1 335 . 1 1 77 77 ASN H H 1 8.614 . . . . . . A 77 ASN H . 25150 1 336 . 1 1 77 77 ASN HA H 1 5.110 . . . . . . A 77 ASN HA . 25150 1 337 . 1 1 77 77 ASN C C 13 176.525 . . . . . . A 77 ASN C . 25150 1 338 . 1 1 77 77 ASN CA C 13 52.240 . . . . . . A 77 ASN CA . 25150 1 339 . 1 1 77 77 ASN CB C 13 39.710 . . . . . . A 77 ASN CB . 25150 1 340 . 1 1 77 77 ASN N N 15 118.469 . . . . . . A 77 ASN N . 25150 1 341 . 1 1 78 78 ILE H H 1 7.736 . . . . . . A 78 ILE H . 25150 1 342 . 1 1 78 78 ILE CA C 13 59.390 . . . . . . A 78 ILE CA . 25150 1 343 . 1 1 78 78 ILE CB C 13 41.640 . . . . . . A 78 ILE CB . 25150 1 344 . 1 1 78 78 ILE N N 15 117.605 . . . . . . A 78 ILE N . 25150 1 345 . 1 1 79 79 PRO C C 13 176.134 . . . . . . A 79 PRO C . 25150 1 346 . 1 1 79 79 PRO CA C 13 62.830 . . . . . . A 79 PRO CA . 25150 1 347 . 1 1 79 79 PRO CB C 13 31.160 . . . . . . A 79 PRO CB . 25150 1 348 . 1 1 80 80 VAL H H 1 8.297 . . . . . . A 80 VAL H . 25150 1 349 . 1 1 80 80 VAL CA C 13 62.830 . . . . . . A 80 VAL CA . 25150 1 350 . 1 1 80 80 VAL CB C 13 29.920 . . . . . . A 80 VAL CB . 25150 1 351 . 1 1 80 80 VAL N N 15 123.378 . . . . . . A 80 VAL N . 25150 1 352 . 1 1 82 82 PRO C C 13 176.169 . . . . . . A 82 PRO C . 25150 1 353 . 1 1 82 82 PRO CA C 13 64.710 . . . . . . A 82 PRO CA . 25150 1 354 . 1 1 82 82 PRO CB C 13 31.670 . . . . . . A 82 PRO CB . 25150 1 355 . 1 1 83 83 HIS H H 1 10.996 . . . . . . A 83 HIS H . 25150 1 356 . 1 1 83 83 HIS HA H 1 4.841 . . . . . . A 83 HIS HA . 25150 1 357 . 1 1 83 83 HIS C C 13 173.457 . . . . . . A 83 HIS C . 25150 1 358 . 1 1 83 83 HIS CA C 13 54.680 . . . . . . A 83 HIS CA . 25150 1 359 . 1 1 83 83 HIS CB C 13 31.230 . . . . . . A 83 HIS CB . 25150 1 360 . 1 1 83 83 HIS N N 15 121.199 . . . . . . A 83 HIS N . 25150 1 361 . 1 1 84 84 VAL H H 1 8.058 . . . . . . A 84 VAL H . 25150 1 362 . 1 1 84 84 VAL HA H 1 4.777 . . . . . . A 84 VAL HA . 25150 1 363 . 1 1 84 84 VAL C C 13 175.155 . . . . . . A 84 VAL C . 25150 1 364 . 1 1 84 84 VAL CA C 13 61.100 . . . . . . A 84 VAL CA . 25150 1 365 . 1 1 84 84 VAL CB C 13 34.110 . . . . . . A 84 VAL CB . 25150 1 366 . 1 1 84 84 VAL N N 15 121.050 . . . . . . A 84 VAL N . 25150 1 367 . 1 1 85 85 TYR H H 1 9.136 . . . . . . A 85 TYR H . 25150 1 368 . 1 1 85 85 TYR HA H 1 4.685 . . . . . . A 85 TYR HA . 25150 1 369 . 1 1 85 85 TYR C C 13 179.268 . . . . . . A 85 TYR C . 25150 1 370 . 1 1 85 85 TYR CA C 13 59.390 . . . . . . A 85 TYR CA . 25150 1 371 . 1 1 85 85 TYR CB C 13 41.270 . . . . . . A 85 TYR CB . 25150 1 372 . 1 1 85 85 TYR N N 15 126.195 . . . . . . A 85 TYR N . 25150 1 373 . 1 1 86 86 SER H H 1 10.052 . . . . . . A 86 SER H . 25150 1 374 . 1 1 86 86 SER HA H 1 3.935 . . . . . . A 86 SER HA . 25150 1 375 . 1 1 86 86 SER C C 13 174.309 . . . . . . A 86 SER C . 25150 1 376 . 1 1 86 86 SER CA C 13 61.890 . . . . . . A 86 SER CA . 25150 1 377 . 1 1 86 86 SER CB C 13 62.230 . . . . . . A 86 SER CB . 25150 1 378 . 1 1 86 86 SER N N 15 115.546 . . . . . . A 86 SER N . 25150 1 379 . 1 1 87 87 ASN H H 1 7.331 . . . . . . A 87 ASN H . 25150 1 380 . 1 1 87 87 ASN C C 13 175.624 . . . . . . A 87 ASN C . 25150 1 381 . 1 1 87 87 ASN CA C 13 52.340 . . . . . . A 87 ASN CA . 25150 1 382 . 1 1 87 87 ASN CB C 13 37.490 . . . . . . A 87 ASN CB . 25150 1 383 . 1 1 87 87 ASN N N 15 116.470 . . . . . . A 87 ASN N . 25150 1 384 . 1 1 88 88 GLY H H 1 8.737 . . . . . . A 88 GLY H . 25150 1 385 . 1 1 88 88 GLY HA2 H 1 3.469 . . . . . . A 88 GLY HA2 . 25150 1 386 . 1 1 88 88 GLY C C 13 174.247 . . . . . . A 88 GLY C . 25150 1 387 . 1 1 88 88 GLY CA C 13 45.910 . . . . . . A 88 GLY CA . 25150 1 388 . 1 1 88 88 GLY N N 15 108.412 . . . . . . A 88 GLY N . 25150 1 389 . 1 1 89 89 HIS H H 1 7.494 . . . . . . A 89 HIS H . 25150 1 390 . 1 1 89 89 HIS CA C 13 56.300 . . . . . . A 89 HIS CA . 25150 1 391 . 1 1 89 89 HIS CB C 13 31.860 . . . . . . A 89 HIS CB . 25150 1 392 . 1 1 89 89 HIS N N 15 119.508 . . . . . . A 89 HIS N . 25150 1 393 . 1 1 90 90 ILE HA H 1 4.414 . . . . . . A 90 ILE HA . 25150 1 394 . 1 1 90 90 ILE C C 13 174.510 . . . . . . A 90 ILE C . 25150 1 395 . 1 1 90 90 ILE CA C 13 58.320 . . . . . . A 90 ILE CA . 25150 1 396 . 1 1 90 90 ILE CB C 13 39.280 . . . . . . A 90 ILE CB . 25150 1 397 . 1 1 91 91 CYS H H 1 7.304 . . . . . . A 91 CYS H . 25150 1 398 . 1 1 91 91 CYS CA C 13 63.580 . . . . . . A 91 CYS CA . 25150 1 399 . 1 1 91 91 CYS CB C 13 33.390 . . . . . . A 91 CYS CB . 25150 1 400 . 1 1 91 91 CYS N N 15 123.587 . . . . . . A 91 CYS N . 25150 1 401 . 1 1 92 92 LEU HA H 1 4.670 . . . . . . A 92 LEU HA . 25150 1 402 . 1 1 92 92 LEU C C 13 175.822 . . . . . . A 92 LEU C . 25150 1 403 . 1 1 92 92 LEU CA C 13 59.460 . . . . . . A 92 LEU CA . 25150 1 404 . 1 1 92 92 LEU CB C 13 41.420 . . . . . . A 92 LEU CB . 25150 1 405 . 1 1 93 93 SER H H 1 9.037 . . . . . . A 93 SER H . 25150 1 406 . 1 1 93 93 SER HA H 1 4.331 . . . . . . A 93 SER HA . 25150 1 407 . 1 1 93 93 SER C C 13 177.433 . . . . . . A 93 SER C . 25150 1 408 . 1 1 93 93 SER CA C 13 62.150 . . . . . . A 93 SER CA . 25150 1 409 . 1 1 93 93 SER N N 15 111.707 . . . . . . A 93 SER N . 25150 1 410 . 1 1 94 94 ILE H H 1 7.859 . . . . . . A 94 ILE H . 25150 1 411 . 1 1 94 94 ILE HA H 1 173.538 . . . . . . A 94 ILE HA . 25150 1 412 . 1 1 94 94 ILE CA C 13 64.310 . . . . . . A 94 ILE CA . 25150 1 413 . 1 1 94 94 ILE CB C 13 37.900 . . . . . . A 94 ILE CB . 25150 1 414 . 1 1 94 94 ILE N N 15 118.993 . . . . . . A 94 ILE N . 25150 1 415 . 1 1 95 95 LEU H H 1 7.351 . . . . . . A 95 LEU H . 25150 1 416 . 1 1 95 95 LEU HA H 1 4.652 . . . . . . A 95 LEU HA . 25150 1 417 . 1 1 95 95 LEU C C 13 178.458 . . . . . . A 95 LEU C . 25150 1 418 . 1 1 95 95 LEU CA C 13 55.330 . . . . . . A 95 LEU CA . 25150 1 419 . 1 1 95 95 LEU CB C 13 42.080 . . . . . . A 95 LEU CB . 25150 1 420 . 1 1 95 95 LEU N N 15 113.763 . . . . . . A 95 LEU N . 25150 1 421 . 1 1 96 96 THR H H 1 7.794 . . . . . . A 96 THR H . 25150 1 422 . 1 1 96 96 THR HA H 1 4.338 . . . . . . A 96 THR HA . 25150 1 423 . 1 1 96 96 THR C C 13 175.947 . . . . . . A 96 THR C . 25150 1 424 . 1 1 96 96 THR CA C 13 60.960 . . . . . . A 96 THR CA . 25150 1 425 . 1 1 96 96 THR CB C 13 69.280 . . . . . . A 96 THR CB . 25150 1 426 . 1 1 96 96 THR N N 15 109.929 . . . . . . A 96 THR N . 25150 1 427 . 1 1 97 97 GLU H H 1 8.913 . . . . . . A 97 GLU H . 25150 1 428 . 1 1 97 97 GLU HA H 1 4.317 . . . . . . A 97 GLU HA . 25150 1 429 . 1 1 97 97 GLU C C 13 176.907 . . . . . . A 97 GLU C . 25150 1 430 . 1 1 97 97 GLU CA C 13 58.680 . . . . . . A 97 GLU CA . 25150 1 431 . 1 1 97 97 GLU CB C 13 30.790 . . . . . . A 97 GLU CB . 25150 1 432 . 1 1 97 97 GLU N N 15 123.314 . . . . . . A 97 GLU N . 25150 1 433 . 1 1 98 98 ASP H H 1 8.124 . . . . . . A 98 ASP H . 25150 1 434 . 1 1 98 98 ASP CA C 13 54.190 . . . . . . A 98 ASP CA . 25150 1 435 . 1 1 98 98 ASP CB C 13 41.500 . . . . . . A 98 ASP CB . 25150 1 436 . 1 1 98 98 ASP N N 15 116.420 . . . . . . A 98 ASP N . 25150 1 437 . 1 1 99 99 TRP HA H 1 4.420 . . . . . . A 99 TRP HA . 25150 1 438 . 1 1 99 99 TRP C C 13 176.495 . . . . . . A 99 TRP C . 25150 1 439 . 1 1 99 99 TRP CA C 13 59.430 . . . . . . A 99 TRP CA . 25150 1 440 . 1 1 99 99 TRP CB C 13 29.580 . . . . . . A 99 TRP CB . 25150 1 441 . 1 1 100 100 SER H H 1 5.703 . . . . . . A 100 SER H . 25150 1 442 . 1 1 100 100 SER CA C 13 55.370 . . . . . . A 100 SER CA . 25150 1 443 . 1 1 100 100 SER CB C 13 64.860 . . . . . . A 100 SER CB . 25150 1 444 . 1 1 100 100 SER N N 15 120.993 . . . . . . A 100 SER N . 25150 1 445 . 1 1 101 101 PRO HA H 1 4.193 . . . . . . A 101 PRO HA . 25150 1 446 . 1 1 101 101 PRO C C 13 175.227 . . . . . . A 101 PRO C . 25150 1 447 . 1 1 101 101 PRO CA C 13 63.700 . . . . . . A 101 PRO CA . 25150 1 448 . 1 1 101 101 PRO CB C 13 31.420 . . . . . . A 101 PRO CB . 25150 1 449 . 1 1 102 102 ALA H H 1 7.290 . . . . . . A 102 ALA H . 25150 1 450 . 1 1 102 102 ALA HA H 1 4.094 . . . . . . A 102 ALA HA . 25150 1 451 . 1 1 102 102 ALA HB1 H 1 1.166 . . . . . . A 102 ALA HB1 . 25150 1 452 . 1 1 102 102 ALA HB2 H 1 1.166 . . . . . . A 102 ALA HB2 . 25150 1 453 . 1 1 102 102 ALA HB3 H 1 1.166 . . . . . . A 102 ALA HB3 . 25150 1 454 . 1 1 102 102 ALA C C 13 178.797 . . . . . . A 102 ALA C . 25150 1 455 . 1 1 102 102 ALA CA C 13 52.830 . . . . . . A 102 ALA CA . 25150 1 456 . 1 1 102 102 ALA CB C 13 19.010 . . . . . . A 102 ALA CB . 25150 1 457 . 1 1 102 102 ALA N N 15 118.668 . . . . . . A 102 ALA N . 25150 1 458 . 1 1 103 103 LEU H H 1 7.263 . . . . . . A 103 LEU H . 25150 1 459 . 1 1 103 103 LEU CA C 13 54.210 . . . . . . A 103 LEU CA . 25150 1 460 . 1 1 103 103 LEU CB C 13 41.710 . . . . . . A 103 LEU CB . 25150 1 461 . 1 1 103 103 LEU N N 15 119.365 . . . . . . A 103 LEU N . 25150 1 462 . 1 1 104 104 SER HA H 1 4.381 . . . . . . A 104 SER HA . 25150 1 463 . 1 1 104 104 SER HB2 H 1 3.908 . . . . . . A 104 SER HB2 . 25150 1 464 . 1 1 104 104 SER HG H 1 4.940 . . . . . . A 104 SER HG . 25150 1 465 . 1 1 104 104 SER C C 13 175.278 . . . . . . A 104 SER C . 25150 1 466 . 1 1 104 104 SER CA C 13 56.500 . . . . . . A 104 SER CA . 25150 1 467 . 1 1 104 104 SER CB C 13 66.770 . . . . . . A 104 SER CB . 25150 1 468 . 1 1 105 105 VAL H H 1 9.841 . . . . . . A 105 VAL H . 25150 1 469 . 1 1 105 105 VAL HA H 1 3.612 . . . . . . A 105 VAL HA . 25150 1 470 . 1 1 105 105 VAL C C 13 179.053 . . . . . . A 105 VAL C . 25150 1 471 . 1 1 105 105 VAL CA C 13 68.070 . . . . . . A 105 VAL CA . 25150 1 472 . 1 1 105 105 VAL CB C 13 31.620 . . . . . . A 105 VAL CB . 25150 1 473 . 1 1 105 105 VAL N N 15 123.025 . . . . . . A 105 VAL N . 25150 1 474 . 1 1 106 106 GLN H H 1 9.109 . . . . . . A 106 GLN H . 25150 1 475 . 1 1 106 106 GLN HA H 1 3.855 . . . . . . A 106 GLN HA . 25150 1 476 . 1 1 106 106 GLN HB2 H 1 2.010 . . . . . . A 106 GLN HB2 . 25150 1 477 . 1 1 106 106 GLN HG2 H 1 2.312 . . . . . . A 106 GLN HG2 . 25150 1 478 . 1 1 106 106 GLN C C 13 177.698 . . . . . . A 106 GLN C . 25150 1 479 . 1 1 106 106 GLN CA C 13 61.130 . . . . . . A 106 GLN CA . 25150 1 480 . 1 1 106 106 GLN CB C 13 28.230 . . . . . . A 106 GLN CB . 25150 1 481 . 1 1 106 106 GLN N N 15 121.218 . . . . . . A 106 GLN N . 25150 1 482 . 1 1 107 107 SER H H 1 8.209 . . . . . . A 107 SER H . 25150 1 483 . 1 1 107 107 SER C C 13 177.828 . . . . . . A 107 SER C . 25150 1 484 . 1 1 107 107 SER CA C 13 62.500 . . . . . . A 107 SER CA . 25150 1 485 . 1 1 107 107 SER CB C 13 62.670 . . . . . . A 107 SER CB . 25150 1 486 . 1 1 107 107 SER N N 15 115.531 . . . . . . A 107 SER N . 25150 1 487 . 1 1 108 108 VAL H H 1 8.256 . . . . . . A 108 VAL H . 25150 1 488 . 1 1 108 108 VAL HA H 1 3.661 . . . . . . A 108 VAL HA . 25150 1 489 . 1 1 108 108 VAL C C 13 178.087 . . . . . . A 108 VAL C . 25150 1 490 . 1 1 108 108 VAL CA C 13 66.970 . . . . . . A 108 VAL CA . 25150 1 491 . 1 1 108 108 VAL CB C 13 31.710 . . . . . . A 108 VAL CB . 25150 1 492 . 1 1 108 108 VAL N N 15 123.756 . . . . . . A 108 VAL N . 25150 1 493 . 1 1 109 109 CYS H H 1 8.781 . . . . . . A 109 CYS H . 25150 1 494 . 1 1 109 109 CYS HA H 1 3.935 . . . . . . A 109 CYS HA . 25150 1 495 . 1 1 109 109 CYS C C 13 176.918 . . . . . . A 109 CYS C . 25150 1 496 . 1 1 109 109 CYS CA C 13 65.890 . . . . . . A 109 CYS CA . 25150 1 497 . 1 1 109 109 CYS CB C 13 27.800 . . . . . . A 109 CYS CB . 25150 1 498 . 1 1 109 109 CYS N N 15 118.175 . . . . . . A 109 CYS N . 25150 1 499 . 1 1 110 110 LEU H H 1 8.543 . . . . . . A 110 LEU H . 25150 1 500 . 1 1 110 110 LEU HA H 1 4.110 . . . . . . A 110 LEU HA . 25150 1 501 . 1 1 110 110 LEU HB2 H 1 1.910 . . . . . . A 110 LEU HB2 . 25150 1 502 . 1 1 110 110 LEU HG H 1 1.600 . . . . . . A 110 LEU HG . 25150 1 503 . 1 1 110 110 LEU HD11 H 1 0.929 . . . . . . A 110 LEU HD11 . 25150 1 504 . 1 1 110 110 LEU HD12 H 1 0.929 . . . . . . A 110 LEU HD12 . 25150 1 505 . 1 1 110 110 LEU HD13 H 1 0.929 . . . . . . A 110 LEU HD13 . 25150 1 506 . 1 1 110 110 LEU C C 13 180.150 . . . . . . A 110 LEU C . 25150 1 507 . 1 1 110 110 LEU CA C 13 58.480 . . . . . . A 110 LEU CA . 25150 1 508 . 1 1 110 110 LEU CB C 13 41.010 . . . . . . A 110 LEU CB . 25150 1 509 . 1 1 110 110 LEU N N 15 118.491 . . . . . . A 110 LEU N . 25150 1 510 . 1 1 111 111 SER H H 1 8.181 . . . . . . A 111 SER H . 25150 1 511 . 1 1 111 111 SER C C 13 177.009 . . . . . . A 111 SER C . 25150 1 512 . 1 1 111 111 SER CA C 13 63.050 . . . . . . A 111 SER CA . 25150 1 513 . 1 1 111 111 SER CB C 13 62.980 . . . . . . A 111 SER CB . 25150 1 514 . 1 1 111 111 SER N N 15 117.917 . . . . . . A 111 SER N . 25150 1 515 . 1 1 112 112 ILE H H 1 8.249 . . . . . . A 112 ILE H . 25150 1 516 . 1 1 112 112 ILE HA H 1 3.673 . . . . . . A 112 ILE HA . 25150 1 517 . 1 1 112 112 ILE C C 13 177.441 . . . . . . A 112 ILE C . 25150 1 518 . 1 1 112 112 ILE CA C 13 65.430 . . . . . . A 112 ILE CA . 25150 1 519 . 1 1 112 112 ILE CB C 13 37.950 . . . . . . A 112 ILE CB . 25150 1 520 . 1 1 112 112 ILE N N 15 124.764 . . . . . . A 112 ILE N . 25150 1 521 . 1 1 113 113 ILE H H 1 8.415 . . . . . . A 113 ILE H . 25150 1 522 . 1 1 113 113 ILE HA H 1 3.596 . . . . . . A 113 ILE HA . 25150 1 523 . 1 1 113 113 ILE C C 13 179.525 . . . . . . A 113 ILE C . 25150 1 524 . 1 1 113 113 ILE CA C 13 66.260 . . . . . . A 113 ILE CA . 25150 1 525 . 1 1 113 113 ILE CB C 13 38.780 . . . . . . A 113 ILE CB . 25150 1 526 . 1 1 113 113 ILE N N 15 121.123 . . . . . . A 113 ILE N . 25150 1 527 . 1 1 114 114 SER H H 1 8.241 . . . . . . A 114 SER H . 25150 1 528 . 1 1 114 114 SER HA H 1 4.300 . . . . . . A 114 SER HA . 25150 1 529 . 1 1 114 114 SER C C 13 176.915 . . . . . . A 114 SER C . 25150 1 530 . 1 1 114 114 SER CA C 13 61.510 . . . . . . A 114 SER CA . 25150 1 531 . 1 1 114 114 SER CB C 13 62.990 . . . . . . A 114 SER CB . 25150 1 532 . 1 1 114 114 SER N N 15 115.247 . . . . . . A 114 SER N . 25150 1 533 . 1 1 115 115 MET H H 1 8.216 . . . . . . A 115 MET H . 25150 1 534 . 1 1 115 115 MET C C 13 179.552 . . . . . . A 115 MET C . 25150 1 535 . 1 1 115 115 MET CA C 13 59.030 . . . . . . A 115 MET CA . 25150 1 536 . 1 1 115 115 MET CB C 13 33.040 . . . . . . A 115 MET CB . 25150 1 537 . 1 1 115 115 MET N N 15 122.921 . . . . . . A 115 MET N . 25150 1 538 . 1 1 116 116 LEU H H 1 7.981 . . . . . . A 116 LEU H . 25150 1 539 . 1 1 116 116 LEU HA H 1 4.077 . . . . . . A 116 LEU HA . 25150 1 540 . 1 1 116 116 LEU C C 13 179.264 . . . . . . A 116 LEU C . 25150 1 541 . 1 1 116 116 LEU CA C 13 58.770 . . . . . . A 116 LEU CA . 25150 1 542 . 1 1 116 116 LEU CB C 13 40.630 . . . . . . A 116 LEU CB . 25150 1 543 . 1 1 116 116 LEU N N 15 120.553 . . . . . . A 116 LEU N . 25150 1 544 . 1 1 117 117 SER H H 1 8.467 . . . . . . A 117 SER H . 25150 1 545 . 1 1 117 117 SER HA H 1 4.342 . . . . . . A 117 SER HA . 25150 1 546 . 1 1 117 117 SER C C 13 175.042 . . . . . . A 117 SER C . 25150 1 547 . 1 1 117 117 SER CA C 13 61.700 . . . . . . A 117 SER CA . 25150 1 548 . 1 1 117 117 SER CB C 13 63.120 . . . . . . A 117 SER CB . 25150 1 549 . 1 1 117 117 SER N N 15 114.100 . . . . . . A 117 SER N . 25150 1 550 . 1 1 118 118 SER H H 1 8.037 . . . . . . A 118 SER H . 25150 1 551 . 1 1 118 118 SER HA H 1 4.485 . . . . . . A 118 SER HA . 25150 1 552 . 1 1 118 118 SER HB2 H 1 4.060 . . . . . . A 118 SER HB2 . 25150 1 553 . 1 1 118 118 SER C C 13 174.142 . . . . . . A 118 SER C . 25150 1 554 . 1 1 118 118 SER CA C 13 59.000 . . . . . . A 118 SER CA . 25150 1 555 . 1 1 118 118 SER CB C 13 64.040 . . . . . . A 118 SER CB . 25150 1 556 . 1 1 118 118 SER N N 15 113.628 . . . . . . A 118 SER N . 25150 1 557 . 1 1 119 119 CYS H H 1 7.250 . . . . . . A 119 CYS H . 25150 1 558 . 1 1 119 119 CYS CA C 13 59.190 . . . . . . A 119 CYS CA . 25150 1 559 . 1 1 119 119 CYS CB C 13 28.270 . . . . . . A 119 CYS CB . 25150 1 560 . 1 1 119 119 CYS N N 15 122.293 . . . . . . A 119 CYS N . 25150 1 561 . 1 1 120 120 LYS HA H 1 4.540 . . . . . . A 120 LYS HA . 25150 1 562 . 1 1 120 120 LYS HB2 H 1 1.700 . . . . . . A 120 LYS HB2 . 25150 1 563 . 1 1 120 120 LYS HE2 H 1 3.050 . . . . . . A 120 LYS HE2 . 25150 1 564 . 1 1 120 120 LYS C C 13 176.345 . . . . . . A 120 LYS C . 25150 1 565 . 1 1 120 120 LYS CA C 13 65.050 . . . . . . A 120 LYS CA . 25150 1 566 . 1 1 120 120 LYS CB C 13 33.550 . . . . . . A 120 LYS CB . 25150 1 567 . 1 1 121 121 GLU H H 1 7.700 . . . . . . A 121 GLU H . 25150 1 568 . 1 1 121 121 GLU HA H 1 4.229 . . . . . . A 121 GLU HA . 25150 1 569 . 1 1 121 121 GLU C C 13 174.053 . . . . . . A 121 GLU C . 25150 1 570 . 1 1 121 121 GLU CA C 13 56.190 . . . . . . A 121 GLU CA . 25150 1 571 . 1 1 121 121 GLU CB C 13 32.690 . . . . . . A 121 GLU CB . 25150 1 572 . 1 1 121 121 GLU N N 15 120.936 . . . . . . A 121 GLU N . 25150 1 573 . 1 1 122 122 LYS H H 1 8.890 . . . . . . A 122 LYS H . 25150 1 574 . 1 1 122 122 LYS HA H 1 3.862 . . . . . . A 122 LYS HA . 25150 1 575 . 1 1 122 122 LYS C C 13 174.440 . . . . . . A 122 LYS C . 25150 1 576 . 1 1 122 122 LYS CA C 13 58.280 . . . . . . A 122 LYS CA . 25150 1 577 . 1 1 122 122 LYS CB C 13 32.410 . . . . . . A 122 LYS CB . 25150 1 578 . 1 1 122 122 LYS N N 15 127.472 . . . . . . A 122 LYS N . 25150 1 579 . 1 1 123 123 ARG H H 1 6.841 . . . . . . A 123 ARG H . 25150 1 580 . 1 1 123 123 ARG HA H 1 4.270 . . . . . . A 123 ARG HA . 25150 1 581 . 1 1 123 123 ARG HB2 H 1 1.830 . . . . . . A 123 ARG HB2 . 25150 1 582 . 1 1 123 123 ARG HG2 H 1 1.300 . . . . . . A 123 ARG HG2 . 25150 1 583 . 1 1 123 123 ARG HD2 H 1 3.040 . . . . . . A 123 ARG HD2 . 25150 1 584 . 1 1 123 123 ARG C C 13 172.653 . . . . . . A 123 ARG C . 25150 1 585 . 1 1 123 123 ARG CA C 13 54.580 . . . . . . A 123 ARG CA . 25150 1 586 . 1 1 123 123 ARG CB C 13 32.230 . . . . . . A 123 ARG CB . 25150 1 587 . 1 1 123 123 ARG N N 15 123.268 . . . . . . A 123 ARG N . 25150 1 588 . 1 1 124 124 ARG H H 1 8.044 . . . . . . A 124 ARG H . 25150 1 589 . 1 1 124 124 ARG CA C 13 54.710 . . . . . . A 124 ARG CA . 25150 1 590 . 1 1 124 124 ARG CB C 13 29.080 . . . . . . A 124 ARG CB . 25150 1 591 . 1 1 124 124 ARG N N 15 116.787 . . . . . . A 124 ARG N . 25150 1 592 . 1 1 126 126 PRO CA C 13 64.800 . . . . . . A 126 PRO CA . 25150 1 593 . 1 1 126 126 PRO CB C 13 31.780 . . . . . . A 126 PRO CB . 25150 1 594 . 1 1 127 127 ASP H H 1 8.711 . . . . . . A 127 ASP H . 25150 1 595 . 1 1 127 127 ASP HA H 1 5.124 . . . . . . A 127 ASP HA . 25150 1 596 . 1 1 127 127 ASP C C 13 172.871 . . . . . . A 127 ASP C . 25150 1 597 . 1 1 127 127 ASP CA C 13 52.670 . . . . . . A 127 ASP CA . 25150 1 598 . 1 1 127 127 ASP CB C 13 39.140 . . . . . . A 127 ASP CB . 25150 1 599 . 1 1 127 127 ASP N N 15 115.165 . . . . . . A 127 ASP N . 25150 1 600 . 1 1 128 128 ASN H H 1 8.502 . . . . . . A 128 ASN H . 25150 1 601 . 1 1 128 128 ASN CA C 13 56.480 . . . . . . A 128 ASN CA . 25150 1 602 . 1 1 128 128 ASN CB C 13 38.560 . . . . . . A 128 ASN CB . 25150 1 603 . 1 1 128 128 ASN N N 15 127.858 . . . . . . A 128 ASN N . 25150 1 604 . 1 1 129 129 SER C C 13 176.346 . . . . . . A 129 SER C . 25150 1 605 . 1 1 129 129 SER CA C 13 62.330 . . . . . . A 129 SER CA . 25150 1 606 . 1 1 130 130 PHE H H 1 8.022 . . . . . . A 130 PHE H . 25150 1 607 . 1 1 130 130 PHE HA H 1 4.120 . . . . . . A 130 PHE HA . 25150 1 608 . 1 1 130 130 PHE HB2 H 1 3.233 . . . . . . A 130 PHE HB2 . 25150 1 609 . 1 1 130 130 PHE C C 13 177.740 . . . . . . A 130 PHE C . 25150 1 610 . 1 1 130 130 PHE CA C 13 60.960 . . . . . . A 130 PHE CA . 25150 1 611 . 1 1 130 130 PHE CB C 13 39.760 . . . . . . A 130 PHE CB . 25150 1 612 . 1 1 130 130 PHE N N 15 121.897 . . . . . . A 130 PHE N . 25150 1 613 . 1 1 131 131 TYR H H 1 8.871 . . . . . . A 131 TYR H . 25150 1 614 . 1 1 131 131 TYR HA H 1 3.746 . . . . . . A 131 TYR HA . 25150 1 615 . 1 1 131 131 TYR C C 13 178.140 . . . . . . A 131 TYR C . 25150 1 616 . 1 1 131 131 TYR CA C 13 62.290 . . . . . . A 131 TYR CA . 25150 1 617 . 1 1 131 131 TYR CB C 13 39.540 . . . . . . A 131 TYR CB . 25150 1 618 . 1 1 131 131 TYR N N 15 122.173 . . . . . . A 131 TYR N . 25150 1 619 . 1 1 132 132 VAL H H 1 8.551 . . . . . . A 132 VAL H . 25150 1 620 . 1 1 132 132 VAL C C 13 178.082 . . . . . . A 132 VAL C . 25150 1 621 . 1 1 132 132 VAL CA C 13 66.330 . . . . . . A 132 VAL CA . 25150 1 622 . 1 1 132 132 VAL CB C 13 31.450 . . . . . . A 132 VAL CB . 25150 1 623 . 1 1 132 132 VAL N N 15 116.993 . . . . . . A 132 VAL N . 25150 1 624 . 1 1 133 133 ARG H H 1 7.545 . . . . . . A 133 ARG H . 25150 1 625 . 1 1 133 133 ARG CA C 13 58.980 . . . . . . A 133 ARG CA . 25150 1 626 . 1 1 133 133 ARG CB C 13 30.250 . . . . . . A 133 ARG CB . 25150 1 627 . 1 1 133 133 ARG N N 15 118.860 . . . . . . A 133 ARG N . 25150 1 628 . 1 1 134 134 THR CA C 13 62.280 . . . . . . A 134 THR CA . 25150 1 629 . 1 1 134 134 THR CB C 13 69.790 . . . . . . A 134 THR CB . 25150 1 630 . 1 1 135 135 CYS H H 1 7.881 . . . . . . A 135 CYS H . 25150 1 631 . 1 1 135 135 CYS CA C 13 59.760 . . . . . . A 135 CYS CA . 25150 1 632 . 1 1 135 135 CYS CB C 13 39.010 . . . . . . A 135 CYS CB . 25150 1 633 . 1 1 135 135 CYS N N 15 125.959 . . . . . . A 135 CYS N . 25150 1 634 . 1 1 136 136 ASN HA H 1 4.010 . . . . . . A 136 ASN HA . 25150 1 635 . 1 1 136 136 ASN C C 13 177.768 . . . . . . A 136 ASN C . 25150 1 636 . 1 1 136 136 ASN CA C 13 54.160 . . . . . . A 136 ASN CA . 25150 1 637 . 1 1 136 136 ASN CB C 13 38.470 . . . . . . A 136 ASN CB . 25150 1 638 . 1 1 137 137 LYS H H 1 7.678 . . . . . . A 137 LYS H . 25150 1 639 . 1 1 137 137 LYS HA H 1 4.196 . . . . . . A 137 LYS HA . 25150 1 640 . 1 1 137 137 LYS C C 13 176.185 . . . . . . A 137 LYS C . 25150 1 641 . 1 1 137 137 LYS CA C 13 56.980 . . . . . . A 137 LYS CA . 25150 1 642 . 1 1 137 137 LYS CB C 13 32.870 . . . . . . A 137 LYS CB . 25150 1 643 . 1 1 137 137 LYS N N 15 119.224 . . . . . . A 137 LYS N . 25150 1 644 . 1 1 138 138 ASN H H 1 7.969 . . . . . . A 138 ASN H . 25150 1 645 . 1 1 138 138 ASN CA C 13 51.530 . . . . . . A 138 ASN CA . 25150 1 646 . 1 1 138 138 ASN CB C 13 38.940 . . . . . . A 138 ASN CB . 25150 1 647 . 1 1 138 138 ASN N N 15 117.174 . . . . . . A 138 ASN N . 25150 1 648 . 1 1 139 139 PRO HA H 1 4.398 . . . . . . A 139 PRO HA . 25150 1 649 . 1 1 139 139 PRO C C 13 177.335 . . . . . . A 139 PRO C . 25150 1 650 . 1 1 139 139 PRO CA C 13 63.850 . . . . . . A 139 PRO CA . 25150 1 651 . 1 1 139 139 PRO CB C 13 32.110 . . . . . . A 139 PRO CB . 25150 1 652 . 1 1 140 140 LYS H H 1 8.108 . . . . . . A 140 LYS H . 25150 1 653 . 1 1 140 140 LYS HA H 1 32.650 . . . . . . A 140 LYS HA . 25150 1 654 . 1 1 140 140 LYS C C 13 176.564 . . . . . . A 140 LYS C . 25150 1 655 . 1 1 140 140 LYS CA C 13 56.990 . . . . . . A 140 LYS CA . 25150 1 656 . 1 1 140 140 LYS N N 15 118.218 . . . . . . A 140 LYS N . 25150 1 657 . 1 1 141 141 LYS H H 1 8.135 . . . . . . A 141 LYS H . 25150 1 658 . 1 1 141 141 LYS C C 13 177.924 . . . . . . A 141 LYS C . 25150 1 659 . 1 1 141 141 LYS CA C 13 56.100 . . . . . . A 141 LYS CA . 25150 1 660 . 1 1 141 141 LYS CB C 13 29.780 . . . . . . A 141 LYS CB . 25150 1 661 . 1 1 141 141 LYS N N 15 119.276 . . . . . . A 141 LYS N . 25150 1 662 . 1 1 142 142 THR H H 1 8.030 . . . . . . A 142 THR H . 25150 1 663 . 1 1 142 142 THR CA C 13 61.850 . . . . . . A 142 THR CA . 25150 1 664 . 1 1 142 142 THR CB C 13 69.660 . . . . . . A 142 THR CB . 25150 1 665 . 1 1 142 142 THR N N 15 115.380 . . . . . . A 142 THR N . 25150 1 666 . 1 1 143 143 LYS C C 13 178.955 . . . . . . A 143 LYS C . 25150 1 667 . 1 1 144 144 TRP H H 1 8.094 . . . . . . A 144 TRP H . 25150 1 668 . 1 1 144 144 TRP C C 13 176.557 . . . . . . A 144 TRP C . 25150 1 669 . 1 1 144 144 TRP CA C 13 57.870 . . . . . . A 144 TRP CA . 25150 1 670 . 1 1 144 144 TRP CB C 13 33.000 . . . . . . A 144 TRP CB . 25150 1 671 . 1 1 144 144 TRP N N 15 120.470 . . . . . . A 144 TRP N . 25150 1 672 . 1 1 145 145 TRP H H 1 8.488 . . . . . . A 145 TRP H . 25150 1 673 . 1 1 145 145 TRP CA C 13 57.120 . . . . . . A 145 TRP CA . 25150 1 674 . 1 1 145 145 TRP CB C 13 32.850 . . . . . . A 145 TRP CB . 25150 1 675 . 1 1 145 145 TRP N N 15 120.330 . . . . . . A 145 TRP N . 25150 1 676 . 1 1 146 146 TYR C C 13 174.706 . . . . . . A 146 TYR C . 25150 1 677 . 1 1 146 146 TYR CA C 13 57.430 . . . . . . A 146 TYR CA . 25150 1 678 . 1 1 146 146 TYR CB C 13 38.740 . . . . . . A 146 TYR CB . 25150 1 679 . 1 1 147 147 HIS H H 1 7.886 . . . . . . A 147 HIS H . 25150 1 680 . 1 1 147 147 HIS HA H 1 4.186 . . . . . . A 147 HIS HA . 25150 1 681 . 1 1 147 147 HIS C C 13 176.874 . . . . . . A 147 HIS C . 25150 1 682 . 1 1 147 147 HIS CA C 13 56.240 . . . . . . A 147 HIS CA . 25150 1 683 . 1 1 147 147 HIS CB C 13 31.200 . . . . . . A 147 HIS CB . 25150 1 684 . 1 1 147 147 HIS N N 15 121.604 . . . . . . A 147 HIS N . 25150 1 685 . 1 1 148 148 ASP H H 1 8.109 . . . . . . A 148 ASP H . 25150 1 686 . 1 1 148 148 ASP HA H 1 4.544 . . . . . . A 148 ASP HA . 25150 1 687 . 1 1 148 148 ASP C C 13 175.661 . . . . . . A 148 ASP C . 25150 1 688 . 1 1 148 148 ASP CA C 13 54.180 . . . . . . A 148 ASP CA . 25150 1 689 . 1 1 148 148 ASP CB C 13 41.680 . . . . . . A 148 ASP CB . 25150 1 690 . 1 1 148 148 ASP N N 15 122.629 . . . . . . A 148 ASP N . 25150 1 691 . 1 1 149 149 ASP H H 1 8.395 . . . . . . A 149 ASP H . 25150 1 692 . 1 1 149 149 ASP HA H 1 4.654 . . . . . . A 149 ASP HA . 25150 1 693 . 1 1 149 149 ASP HB2 H 1 2.678 . . . . . . A 149 ASP HB2 . 25150 1 694 . 1 1 149 149 ASP C C 13 176.551 . . . . . . A 149 ASP C . 25150 1 695 . 1 1 149 149 ASP CA C 13 54.610 . . . . . . A 149 ASP CA . 25150 1 696 . 1 1 149 149 ASP CB C 13 41.360 . . . . . . A 149 ASP CB . 25150 1 697 . 1 1 149 149 ASP N N 15 121.321 . . . . . . A 149 ASP N . 25150 1 698 . 1 1 150 150 THR H H 1 8.259 . . . . . . A 150 THR H . 25150 1 699 . 1 1 150 150 THR HA H 1 4.296 . . . . . . A 150 THR HA . 25150 1 700 . 1 1 150 150 THR HG21 H 1 1.204 . . . . . . A 150 THR HG21 . 25150 1 701 . 1 1 150 150 THR HG22 H 1 1.204 . . . . . . A 150 THR HG22 . 25150 1 702 . 1 1 150 150 THR HG23 H 1 1.204 . . . . . . A 150 THR HG23 . 25150 1 703 . 1 1 150 150 THR C C 13 173.994 . . . . . . A 150 THR C . 25150 1 704 . 1 1 150 150 THR CA C 13 62.310 . . . . . . A 150 THR CA . 25150 1 705 . 1 1 150 150 THR CB C 13 69.870 . . . . . . A 150 THR CB . 25150 1 706 . 1 1 150 150 THR N N 15 113.450 . . . . . . A 150 THR N . 25150 1 707 . 1 1 151 151 CYS H H 1 7.892 . . . . . . A 151 CYS H . 25150 1 708 . 1 1 151 151 CYS CA C 13 59.760 . . . . . . A 151 CYS CA . 25150 1 709 . 1 1 151 151 CYS CB C 13 29.170 . . . . . . A 151 CYS CB . 25150 1 710 . 1 1 151 151 CYS N N 15 125.062 . . . . . . A 151 CYS N . 25150 1 stop_ save_