data_50275 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50275 _Entry.Title ; Maturation of the Functional Mouse CRES Amyloid from Globular Form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-15 _Entry.Accession_date 2020-05-15 _Entry.Last_release_date 2020-05-15 _Entry.Original_release_date 2020-05-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Aveline Hewetson . . . 0000-0001-8741-2443 50275 2 Nazmul Khan . H. . . 50275 3 Matthew Dominguez . J. . . 50275 4 Hoa Do . Q. . 0000-0001-7361-6066 50275 5 Rebecca Kusko . E. . . 50275 6 Collin Borcik . G. . . 50275 7 Daniel Rigden . J. . . 50275 8 Ronan Keegan . M. . . 50275 9 Roger Sutton . B. . 0000-0001-8393-5239 50275 10 Michael Latham . P. . 0000-0002-2209-5798 50275 11 Benjamin Wylie . J. . 0000-0001-8183-2762 50275 12 Gail Cornwall . A. . 0000-0002-2903-1690 50275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 534 50275 '15N chemical shifts' 116 50275 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 . . 2020-06-08 2020-05-15 update BMRB 'update entry citation' 50275 1 . . 2020-06-08 2020-05-15 original author 'original release' 50275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50273 'globular CRES, in solution state' 50275 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50275 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32601205 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Maturation of the functional mouse CRES amyloid from globular form ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 16363 _Citation.Page_last 16372 _Citation.Year 2020 _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 Aveline Hewetson . . . . 50275 1 2 Nazmul Khan . H. . . 50275 1 3 Matthew Dominguez . J. . . 50275 1 4 Hoa Do . Q. . . 50275 1 5 Rebecca Kusko . E. . . 50275 1 6 Collin Borcik . G. . . 50275 1 7 Daniel Rigden . J. . . 50275 1 8 Ronan Keegan . M. . . 50275 1 9 Roger Sutton . B. . . 50275 1 10 Michael Latham . P. . . 50275 1 11 Benjamin Wylie . J. . . 50275 1 12 Gail Cornwall . A. . . 50275 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50275 _Assembly.ID 1 _Assembly.Name CRES _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'globular CRES' 1 $entity_1 . . yes native no no . . . 50275 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 82 82 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . . . 50275 1 2 disulfide single . 1 . 1 CYS 106 106 SG . 1 . 1 CYS 126 126 SG . . . . . . . . . . . . 50275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50275 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMAHMVGVDQSKNEVKAQN YFGSINISNANVKQAVWFAM KEYNKESEDKYVFLVDKILH AKLQITDRMEYQIDVQISRS NCKKPLNNTENCIPQKKPEL EKKMSCSFLVGALPWNGEFN LLSKECKDV ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 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 14 GLY . 50275 1 2 15 ALA . 50275 1 3 16 MET . 50275 1 4 17 ALA . 50275 1 5 18 HIS . 50275 1 6 19 MET . 50275 1 7 20 VAL . 50275 1 8 21 GLY . 50275 1 9 22 VAL . 50275 1 10 23 ASP . 50275 1 11 24 GLN . 50275 1 12 25 SER . 50275 1 13 26 LYS . 50275 1 14 27 ASN . 50275 1 15 28 GLU . 50275 1 16 29 VAL . 50275 1 17 30 LYS . 50275 1 18 31 ALA . 50275 1 19 32 GLN . 50275 1 20 33 ASN . 50275 1 21 34 TYR . 50275 1 22 35 PHE . 50275 1 23 36 GLY . 50275 1 24 37 SER . 50275 1 25 38 ILE . 50275 1 26 39 ASN . 50275 1 27 40 ILE . 50275 1 28 41 SER . 50275 1 29 42 ASN . 50275 1 30 43 ALA . 50275 1 31 44 ASN . 50275 1 32 45 VAL . 50275 1 33 46 LYS . 50275 1 34 47 GLN . 50275 1 35 48 ALA . 50275 1 36 49 VAL . 50275 1 37 50 TRP . 50275 1 38 51 PHE . 50275 1 39 52 ALA . 50275 1 40 53 MET . 50275 1 41 54 LYS . 50275 1 42 55 GLU . 50275 1 43 56 TYR . 50275 1 44 57 ASN . 50275 1 45 58 LYS . 50275 1 46 59 GLU . 50275 1 47 60 SER . 50275 1 48 61 GLU . 50275 1 49 62 ASP . 50275 1 50 63 LYS . 50275 1 51 64 TYR . 50275 1 52 65 VAL . 50275 1 53 66 PHE . 50275 1 54 67 LEU . 50275 1 55 68 VAL . 50275 1 56 69 ASP . 50275 1 57 70 LYS . 50275 1 58 71 ILE . 50275 1 59 72 LEU . 50275 1 60 73 HIS . 50275 1 61 74 ALA . 50275 1 62 75 LYS . 50275 1 63 76 LEU . 50275 1 64 77 GLN . 50275 1 65 78 ILE . 50275 1 66 79 THR . 50275 1 67 80 ASP . 50275 1 68 81 ARG . 50275 1 69 82 MET . 50275 1 70 83 GLU . 50275 1 71 84 TYR . 50275 1 72 85 GLN . 50275 1 73 86 ILE . 50275 1 74 87 ASP . 50275 1 75 88 VAL . 50275 1 76 89 GLN . 50275 1 77 90 ILE . 50275 1 78 91 SER . 50275 1 79 92 ARG . 50275 1 80 93 SER . 50275 1 81 94 ASN . 50275 1 82 95 CYS . 50275 1 83 96 LYS . 50275 1 84 97 LYS . 50275 1 85 98 PRO . 50275 1 86 99 LEU . 50275 1 87 100 ASN . 50275 1 88 101 ASN . 50275 1 89 102 THR . 50275 1 90 103 GLU . 50275 1 91 104 ASN . 50275 1 92 105 CYS . 50275 1 93 106 ILE . 50275 1 94 107 PRO . 50275 1 95 108 GLN . 50275 1 96 109 LYS . 50275 1 97 110 LYS . 50275 1 98 111 PRO . 50275 1 99 112 GLU . 50275 1 100 113 LEU . 50275 1 101 114 GLU . 50275 1 102 115 LYS . 50275 1 103 116 LYS . 50275 1 104 117 MET . 50275 1 105 118 SER . 50275 1 106 119 CYS . 50275 1 107 120 SER . 50275 1 108 121 PHE . 50275 1 109 122 LEU . 50275 1 110 123 VAL . 50275 1 111 124 GLY . 50275 1 112 125 ALA . 50275 1 113 126 LEU . 50275 1 114 127 PRO . 50275 1 115 128 TRP . 50275 1 116 129 ASN . 50275 1 117 130 GLY . 50275 1 118 131 GLU . 50275 1 119 132 PHE . 50275 1 120 133 ASN . 50275 1 121 134 LEU . 50275 1 122 135 LEU . 50275 1 123 136 SER . 50275 1 124 137 LYS . 50275 1 125 138 GLU . 50275 1 126 139 CYS . 50275 1 127 140 LYS . 50275 1 128 141 ASP . 50275 1 129 142 VAL . 50275 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 . GLY 1 1 50275 1 . ALA 2 2 50275 1 . MET 3 3 50275 1 . ALA 4 4 50275 1 . HIS 5 5 50275 1 . MET 6 6 50275 1 . VAL 7 7 50275 1 . GLY 8 8 50275 1 . VAL 9 9 50275 1 . ASP 10 10 50275 1 . GLN 11 11 50275 1 . SER 12 12 50275 1 . LYS 13 13 50275 1 . ASN 14 14 50275 1 . GLU 15 15 50275 1 . VAL 16 16 50275 1 . LYS 17 17 50275 1 . ALA 18 18 50275 1 . GLN 19 19 50275 1 . ASN 20 20 50275 1 . TYR 21 21 50275 1 . PHE 22 22 50275 1 . GLY 23 23 50275 1 . SER 24 24 50275 1 . ILE 25 25 50275 1 . ASN 26 26 50275 1 . ILE 27 27 50275 1 . SER 28 28 50275 1 . ASN 29 29 50275 1 . ALA 30 30 50275 1 . ASN 31 31 50275 1 . VAL 32 32 50275 1 . LYS 33 33 50275 1 . GLN 34 34 50275 1 . ALA 35 35 50275 1 . VAL 36 36 50275 1 . TRP 37 37 50275 1 . PHE 38 38 50275 1 . ALA 39 39 50275 1 . MET 40 40 50275 1 . LYS 41 41 50275 1 . GLU 42 42 50275 1 . TYR 43 43 50275 1 . ASN 44 44 50275 1 . LYS 45 45 50275 1 . GLU 46 46 50275 1 . SER 47 47 50275 1 . GLU 48 48 50275 1 . ASP 49 49 50275 1 . LYS 50 50 50275 1 . TYR 51 51 50275 1 . VAL 52 52 50275 1 . PHE 53 53 50275 1 . LEU 54 54 50275 1 . VAL 55 55 50275 1 . ASP 56 56 50275 1 . LYS 57 57 50275 1 . ILE 58 58 50275 1 . LEU 59 59 50275 1 . HIS 60 60 50275 1 . ALA 61 61 50275 1 . LYS 62 62 50275 1 . LEU 63 63 50275 1 . GLN 64 64 50275 1 . ILE 65 65 50275 1 . THR 66 66 50275 1 . ASP 67 67 50275 1 . ARG 68 68 50275 1 . MET 69 69 50275 1 . GLU 70 70 50275 1 . TYR 71 71 50275 1 . GLN 72 72 50275 1 . ILE 73 73 50275 1 . ASP 74 74 50275 1 . VAL 75 75 50275 1 . GLN 76 76 50275 1 . ILE 77 77 50275 1 . SER 78 78 50275 1 . ARG 79 79 50275 1 . SER 80 80 50275 1 . ASN 81 81 50275 1 . CYS 82 82 50275 1 . LYS 83 83 50275 1 . LYS 84 84 50275 1 . PRO 85 85 50275 1 . LEU 86 86 50275 1 . ASN 87 87 50275 1 . ASN 88 88 50275 1 . THR 89 89 50275 1 . GLU 90 90 50275 1 . ASN 91 91 50275 1 . CYS 92 92 50275 1 . ILE 93 93 50275 1 . PRO 94 94 50275 1 . GLN 95 95 50275 1 . LYS 96 96 50275 1 . LYS 97 97 50275 1 . PRO 98 98 50275 1 . GLU 99 99 50275 1 . LEU 100 100 50275 1 . GLU 101 101 50275 1 . LYS 102 102 50275 1 . LYS 103 103 50275 1 . MET 104 104 50275 1 . SER 105 105 50275 1 . CYS 106 106 50275 1 . SER 107 107 50275 1 . PHE 108 108 50275 1 . LEU 109 109 50275 1 . VAL 110 110 50275 1 . GLY 111 111 50275 1 . ALA 112 112 50275 1 . LEU 113 113 50275 1 . PRO 114 114 50275 1 . TRP 115 115 50275 1 . ASN 116 116 50275 1 . GLY 117 117 50275 1 . GLU 118 118 50275 1 . PHE 119 119 50275 1 . ASN 120 120 50275 1 . LEU 121 121 50275 1 . LEU 122 122 50275 1 . SER 123 123 50275 1 . LYS 124 124 50275 1 . GLU 125 125 50275 1 . CYS 126 126 50275 1 . LYS 127 127 50275 1 . ASP 128 128 50275 1 . VAL 129 129 50275 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50275 _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_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 50275 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50275 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pGEX-cs . . . 50275 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50275 _Sample.ID 1 _Sample.Name CRES _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% H2O' _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 CRES '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 50 . . mM . . . . 50275 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50275 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 50275 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 50275 _Sample_condition_list.ID 1 _Sample_condition_list.Name CRES _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 50275 1 pH 7.4 . pH 50275 1 pressure 1 . atm 50275 1 temperature 277 . K 50275 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50275 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50275 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50275 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50275 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50275 _Software.ID 3 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 50275 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50275 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Wylie 600MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50275 _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 DARR no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50275 1 2 NCACX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50275 1 3 NCOCX no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50275 1 4 'CANcoCX DARR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50275 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50275 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Solid State CRES assignments reference' _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 carbon' . . . . ppm 40.48 external direct 1 . . . . . 50275 1 N 15 DSS 'methyl carbon' . . . . ppm 40.48 external indirect . . . . . . 50275 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50275 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CRES _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 $chem_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 DARR . . . 50275 1 2 NCACX . . . 50275 1 3 NCOCX . . . 50275 1 4 'CANcoCX DARR' . . . 50275 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50275 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 14 14 ASN C C 13 174.600 . . . . . . . . 27 N C . 50275 1 2 . 1 . 1 14 14 ASN CA C 13 53.300 . . . . . . . . 27 N CA . 50275 1 3 . 1 . 1 14 14 ASN CB C 13 38.597 . . . . . . . . 27 N CB . 50275 1 4 . 1 . 1 14 14 ASN CG C 13 177.198 . . . . . . . . 27 N CG . 50275 1 5 . 1 . 1 14 14 ASN N N 15 122.000 . . . . . . . . 27 N N . 50275 1 6 . 1 . 1 15 15 GLU C C 13 177.341 . . . . . . . . 28 E C . 50275 1 7 . 1 . 1 15 15 GLU CA C 13 56.199 . . . . . . . . 28 E CA . 50275 1 8 . 1 . 1 15 15 GLU CB C 13 31.299 . . . . . . . . 28 E CB . 50275 1 9 . 1 . 1 15 15 GLU CG C 13 33.598 . . . . . . . . 28 E CG . 50275 1 10 . 1 . 1 15 15 GLU CD C 13 183.602 . . . . . . . . 28 E CD . 50275 1 11 . 1 . 1 15 15 GLU N N 15 124.400 . . . . . . . . 28 E N . 50275 1 12 . 1 . 1 16 16 VAL C C 13 177.297 . . . . . . . . 29 V C . 50275 1 13 . 1 . 1 16 16 VAL CA C 13 66.902 . . . . . . . . 29 V CA . 50275 1 14 . 1 . 1 16 16 VAL CB C 13 31.895 . . . . . . . . 29 V CB . 50275 1 15 . 1 . 1 16 16 VAL CG1 C 13 21.800 . . . . . . . . 29 V CG1 . 50275 1 16 . 1 . 1 16 16 VAL CG2 C 13 23.094 . . . . . . . . 29 V CG2 . 50275 1 17 . 1 . 1 16 16 VAL N N 15 117.800 . . . . . . . . 29 V N . 50275 1 18 . 1 . 1 17 17 LYS C C 13 174.302 . . . . . . . . 30 K C . 50275 1 19 . 1 . 1 17 17 LYS CA C 13 59.706 . . . . . . . . 30 K CA . 50275 1 20 . 1 . 1 17 17 LYS CB C 13 32.093 . . . . . . . . 30 K CB . 50275 1 21 . 1 . 1 17 17 LYS N N 15 119.200 . . . . . . . . 30 K N . 50275 1 22 . 1 . 1 18 18 ALA C C 13 174.420 . . . . . . . . 31 A C . 50275 1 23 . 1 . 1 18 18 ALA CA C 13 55.300 . . . . . . . . 31 A CA . 50275 1 24 . 1 . 1 18 18 ALA CB C 13 17.494 . . . . . . . . 31 A CB . 50275 1 25 . 1 . 1 18 18 ALA N N 15 123.400 . . . . . . . . 31 A N . 50275 1 26 . 1 . 1 19 19 GLN C C 13 174.851 . . . . . . . . 32 Q C . 50275 1 27 . 1 . 1 19 19 GLN CA C 13 59.203 . . . . . . . . 32 Q CA . 50275 1 28 . 1 . 1 19 19 GLN CB C 13 25.495 . . . . . . . . 32 Q CB . 50275 1 29 . 1 . 1 19 19 GLN CG C 13 36.603 . . . . . . . . 32 Q CG . 50275 1 30 . 1 . 1 19 19 GLN CD C 13 179.598 . . . . . . . . 32 Q CD . 50275 1 31 . 1 . 1 19 19 GLN N N 15 120.800 . . . . . . . . 32 Q N . 50275 1 32 . 1 . 1 20 20 ASN C C 13 175.297 . . . . . . . . 33 N C . 50275 1 33 . 1 . 1 20 20 ASN CA C 13 54.296 . . . . . . . . 33 N CA . 50275 1 34 . 1 . 1 20 20 ASN CB C 13 44.351 . . . . . . . . 33 N CB . 50275 1 35 . 1 . 1 20 20 ASN CG C 13 177.003 . . . . . . . . 33 N CG . 50275 1 36 . 1 . 1 20 20 ASN N N 15 123.100 . . . . . . . . 33 N N . 50275 1 37 . 1 . 1 21 21 TYR C C 13 175.201 . . . . . . . . 34 Y C . 50275 1 38 . 1 . 1 21 21 TYR CA C 13 58.103 . . . . . . . . 34 Y CA . 50275 1 39 . 1 . 1 21 21 TYR CB C 13 43.497 . . . . . . . . 34 Y CB . 50275 1 40 . 1 . 1 21 21 TYR N N 15 121.000 . . . . . . . . 34 Y N . 50275 1 41 . 1 . 1 22 22 PHE C C 13 175.996 . . . . . . . . 35 F C . 50275 1 42 . 1 . 1 22 22 PHE CA C 13 57.102 . . . . . . . . 35 F CA . 50275 1 43 . 1 . 1 22 22 PHE CB C 13 39.799 . . . . . . . . 35 F CB . 50275 1 44 . 1 . 1 22 22 PHE N N 15 121.240 . . . . . . . . 35 F N . 50275 1 45 . 1 . 1 23 23 GLY C C 13 172.803 . . . . . . . . 36 G C . 50275 1 46 . 1 . 1 23 23 GLY CA C 13 44.299 . . . . . . . . 36 G CA . 50275 1 47 . 1 . 1 23 23 GLY N N 15 113.930 . . . . . . . . 36 G N . 50275 1 48 . 1 . 1 24 24 SER C C 13 173.402 . . . . . . . . 37 S C . 50275 1 49 . 1 . 1 24 24 SER CA C 13 57.001 . . . . . . . . 37 S CA . 50275 1 50 . 1 . 1 24 24 SER CB C 13 66.302 . . . . . . . . 37 S CB . 50275 1 51 . 1 . 1 24 24 SER N N 15 124.400 . . . . . . . . 37 S N . 50275 1 52 . 1 . 1 25 25 ILE C C 13 175.301 . . . . . . . . 38 I C . 50275 1 53 . 1 . 1 25 25 ILE CA C 13 60.402 . . . . . . . . 38 I CA . 50275 1 54 . 1 . 1 25 25 ILE CB C 13 41.695 . . . . . . . . 38 I CB . 50275 1 55 . 1 . 1 25 25 ILE CG1 C 13 26.846 . . . . . . . . 38 I CG1 . 50275 1 56 . 1 . 1 25 25 ILE CG2 C 13 18.401 . . . . . . . . 38 I CG2 . 50275 1 57 . 1 . 1 25 25 ILE CD1 C 13 14.196 . . . . . . . . 38 I CD1 . 50275 1 58 . 1 . 1 25 25 ILE N N 15 126.700 . . . . . . . . 38 I N . 50275 1 59 . 1 . 1 26 26 ASN C C 13 174.558 . . . . . . . . 39 N C . 50275 1 60 . 1 . 1 26 26 ASN CA C 13 52.799 . . . . . . . . 39 N CA . 50275 1 61 . 1 . 1 26 26 ASN CB C 13 42.797 . . . . . . . . 39 N CB . 50275 1 62 . 1 . 1 26 26 ASN CG C 13 177.450 . . . . . . . . 39 N CG . 50275 1 63 . 1 . 1 26 26 ASN N N 15 124.300 . . . . . . . . 39 N N . 50275 1 64 . 1 . 1 27 27 ILE C C 13 175.252 . . . . . . . . 40 I C . 50275 1 65 . 1 . 1 27 27 ILE CA C 13 60.237 . . . . . . . . 40 I CA . 50275 1 66 . 1 . 1 27 27 ILE CB C 13 40.898 . . . . . . . . 40 I CB . 50275 1 67 . 1 . 1 27 27 ILE CG1 C 13 27.704 . . . . . . . . 40 I CG1 . 50275 1 68 . 1 . 1 27 27 ILE CG2 C 13 18.798 . . . . . . . . 40 I CG2 . 50275 1 69 . 1 . 1 27 27 ILE CD1 C 13 14.803 . . . . . . . . 40 I CD1 . 50275 1 70 . 1 . 1 27 27 ILE N N 15 125.700 . . . . . . . . 40 I N . 50275 1 71 . 1 . 1 28 28 SER C C 13 174.206 . . . . . . . . 41 S C . 50275 1 72 . 1 . 1 28 28 SER CA C 13 57.197 . . . . . . . . 41 S CA . 50275 1 73 . 1 . 1 28 28 SER CB C 13 64.796 . . . . . . . . 41 S CB . 50275 1 74 . 1 . 1 28 28 SER N N 15 120.400 . . . . . . . . 41 S N . 50275 1 75 . 1 . 1 29 29 ASN C C 13 174.599 . . . . . . . . 42 N C . 50275 1 76 . 1 . 1 29 29 ASN CA C 13 54.800 . . . . . . . . 42 N CA . 50275 1 77 . 1 . 1 29 29 ASN CB C 13 39.032 . . . . . . . . 42 N CB . 50275 1 78 . 1 . 1 29 29 ASN CG C 13 176.296 . . . . . . . . 42 N CG . 50275 1 79 . 1 . 1 29 29 ASN N N 15 120.500 . . . . . . . . 42 N N . 50275 1 80 . 1 . 1 30 30 ALA C C 13 174.101 . . . . . . . . 43 A C . 50275 1 81 . 1 . 1 30 30 ALA CA C 13 51.900 . . . . . . . . 43 A CA . 50275 1 82 . 1 . 1 30 30 ALA CB C 13 19.295 . . . . . . . . 43 A CB . 50275 1 83 . 1 . 1 30 30 ALA N N 15 123.000 . . . . . . . . 43 A N . 50275 1 84 . 1 . 1 31 31 ASN C C 13 174.900 . . . . . . . . 44 N C . 50275 1 85 . 1 . 1 31 31 ASN CA C 13 56.300 . . . . . . . . 44 N CA . 50275 1 86 . 1 . 1 31 31 ASN CB C 13 36.702 . . . . . . . . 44 N CB . 50275 1 87 . 1 . 1 31 31 ASN CG C 13 176.300 . . . . . . . . 44 N CG . 50275 1 88 . 1 . 1 31 31 ASN N N 15 123.130 . . . . . . . . 44 N N . 50275 1 89 . 1 . 1 32 32 VAL C C 13 174.983 . . . . . . . . 45 V C . 50275 1 90 . 1 . 1 32 32 VAL CA C 13 61.530 . . . . . . . . 45 V CA . 50275 1 91 . 1 . 1 32 32 VAL CB C 13 36.101 . . . . . . . . 45 V CB . 50275 1 92 . 1 . 1 32 32 VAL CG1 C 13 21.203 . . . . . . . . 45 V CG1 . 50275 1 93 . 1 . 1 32 32 VAL CG2 C 13 22.000 . . . . . . . . 45 V CG2 . 50275 1 94 . 1 . 1 32 32 VAL N N 15 121.700 . . . . . . . . 45 V N . 50275 1 95 . 1 . 1 33 33 LYS C C 13 175.979 . . . . . . . . 46 K C . 50275 1 96 . 1 . 1 33 33 LYS CA C 13 56.200 . . . . . . . . 46 K CA . 50275 1 97 . 1 . 1 33 33 LYS CB C 13 33.603 . . . . . . . . 46 K CB . 50275 1 98 . 1 . 1 33 33 LYS CG C 13 25.703 . . . . . . . . 46 K CG . 50275 1 99 . 1 . 1 33 33 LYS CD C 13 29.603 . . . . . . . . 46 K CD . 50275 1 100 . 1 . 1 33 33 LYS CE C 13 42.401 . . . . . . . . 46 K CE . 50275 1 101 . 1 . 1 33 33 LYS N N 15 125.500 . . . . . . . . 46 K N . 50275 1 102 . 1 . 1 34 34 GLN C C 13 174.953 . . . . . . . . 47 Q C . 50275 1 103 . 1 . 1 34 34 GLN CA C 13 55.703 . . . . . . . . 47 Q CA . 50275 1 104 . 1 . 1 34 34 GLN CB C 13 30.299 . . . . . . . . 47 Q CB . 50275 1 105 . 1 . 1 34 34 GLN CG C 13 34.348 . . . . . . . . 47 Q CG . 50275 1 106 . 1 . 1 34 34 GLN CD C 13 179.251 . . . . . . . . 47 Q CD . 50275 1 107 . 1 . 1 34 34 GLN N N 15 123.000 . . . . . . . . 47 Q N . 50275 1 108 . 1 . 1 35 35 ALA C C 13 175.507 . . . . . . . . 48 A C . 50275 1 109 . 1 . 1 35 35 ALA CA C 13 51.101 . . . . . . . . 48 A CA . 50275 1 110 . 1 . 1 35 35 ALA CB C 13 23.205 . . . . . . . . 48 A CB . 50275 1 111 . 1 . 1 35 35 ALA N N 15 124.800 . . . . . . . . 48 A N . 50275 1 112 . 1 . 1 36 36 VAL C C 13 175.203 . . . . . . . . 49 V C . 50275 1 113 . 1 . 1 36 36 VAL CA C 13 60.605 . . . . . . . . 49 V CA . 50275 1 114 . 1 . 1 36 36 VAL CB C 13 35.599 . . . . . . . . 49 V CB . 50275 1 115 . 1 . 1 36 36 VAL CG1 C 13 22.200 . . . . . . . . 49 V CG1 . 50275 1 116 . 1 . 1 36 36 VAL CG2 C 13 21.699 . . . . . . . . 49 V CG2 . 50275 1 117 . 1 . 1 36 36 VAL N N 15 120.700 . . . . . . . . 49 V N . 50275 1 118 . 1 . 1 37 37 TRP C C 13 175.798 . . . . . . . . 50 W C . 50275 1 119 . 1 . 1 37 37 TRP CA C 13 56.803 . . . . . . . . 50 W CA . 50275 1 120 . 1 . 1 37 37 TRP CB C 13 30.795 . . . . . . . . 50 W CB . 50275 1 121 . 1 . 1 37 37 TRP N N 15 119.700 . . . . . . . . 50 W N . 50275 1 122 . 1 . 1 38 38 PHE C C 13 174.897 . . . . . . . . 51 F C . 50275 1 123 . 1 . 1 38 38 PHE CA C 13 54.398 . . . . . . . . 51 F CA . 50275 1 124 . 1 . 1 38 38 PHE CB C 13 43.946 . . . . . . . . 51 F CB . 50275 1 125 . 1 . 1 38 38 PHE CD2 C 13 133.501 . . . . . . . . 51 F CD2 . 50275 1 126 . 1 . 1 38 38 PHE CE1 C 13 131.751 . . . . . . . . 51 F CE1 . 50275 1 127 . 1 . 1 38 38 PHE N N 15 126.700 . . . . . . . . 51 F N . 50275 1 128 . 1 . 1 39 39 ALA C C 13 175.500 . . . . . . . . 52 A C . 50275 1 129 . 1 . 1 39 39 ALA CA C 13 51.006 . . . . . . . . 52 A CA . 50275 1 130 . 1 . 1 39 39 ALA CB C 13 23.197 . . . . . . . . 52 A CB . 50275 1 131 . 1 . 1 39 39 ALA N N 15 128.700 . . . . . . . . 52 A N . 50275 1 132 . 1 . 1 40 40 MET C C 13 174.255 . . . . . . . . 53 M C . 50275 1 133 . 1 . 1 40 40 MET CA C 13 55.200 . . . . . . . . 53 M CA . 50275 1 134 . 1 . 1 40 40 MET CB C 13 38.009 . . . . . . . . 53 M CB . 50275 1 135 . 1 . 1 40 40 MET CG C 13 29.103 . . . . . . . . 53 M CG . 50275 1 136 . 1 . 1 40 40 MET CE C 13 17.408 . . . . . . . . 53 M CE . 50275 1 137 . 1 . 1 40 40 MET N N 15 122.593 . . . . . . . . 53 M N . 50275 1 138 . 1 . 1 41 41 LYS C C 13 175.500 . . . . . . . . 54 K C . 50275 1 139 . 1 . 1 41 41 LYS CA C 13 55.501 . . . . . . . . 54 K CA . 50275 1 140 . 1 . 1 41 41 LYS CB C 13 34.500 . . . . . . . . 54 K CB . 50275 1 141 . 1 . 1 41 41 LYS CG C 13 25.597 . . . . . . . . 54 K CG . 50275 1 142 . 1 . 1 41 41 LYS CD C 13 28.398 . . . . . . . . 54 K CD . 50275 1 143 . 1 . 1 41 41 LYS CE C 13 43.502 . . . . . . . . 54 K CE . 50275 1 144 . 1 . 1 41 41 LYS N N 15 127.130 . . . . . . . . 54 K N . 50275 1 145 . 1 . 1 42 42 GLU C C 13 175.756 . . . . . . . . 55 E C . 50275 1 146 . 1 . 1 42 42 GLU CA C 13 54.402 . . . . . . . . 55 E CA . 50275 1 147 . 1 . 1 42 42 GLU CB C 13 28.402 . . . . . . . . 55 E CB . 50275 1 148 . 1 . 1 42 42 GLU CG C 13 36.240 . . . . . . . . 55 E CG . 50275 1 149 . 1 . 1 42 42 GLU CD C 13 184.249 . . . . . . . . 55 E CD . 50275 1 150 . 1 . 1 42 42 GLU N N 15 125.100 . . . . . . . . 55 E N . 50275 1 151 . 1 . 1 43 43 TYR C C 13 174.503 . . . . . . . . 56 Y C . 50275 1 152 . 1 . 1 43 43 TYR CA C 13 56.796 . . . . . . . . 56 Y CA . 50275 1 153 . 1 . 1 43 43 TYR CB C 13 39.594 . . . . . . . . 56 Y CB . 50275 1 154 . 1 . 1 43 43 TYR CG C 13 131.303 . . . . . . . . 56 Y CG . 50275 1 155 . 1 . 1 43 43 TYR CD1 C 13 139.340 . . . . . . . . 56 Y CD1 . 50275 1 156 . 1 . 1 43 43 TYR N N 15 119.230 . . . . . . . . 56 Y N . 50275 1 157 . 1 . 1 44 44 ASN C C 13 175.300 . . . . . . . . 57 N C . 50275 1 158 . 1 . 1 44 44 ASN CA C 13 54.301 . . . . . . . . 57 N CA . 50275 1 159 . 1 . 1 44 44 ASN CB C 13 37.403 . . . . . . . . 57 N CB . 50275 1 160 . 1 . 1 44 44 ASN CG C 13 176.600 . . . . . . . . 57 N CG . 50275 1 161 . 1 . 1 44 44 ASN N N 15 125.000 . . . . . . . . 57 N N . 50275 1 162 . 1 . 1 45 45 LYS C C 13 175.902 . . . . . . . . 58 K C . 50275 1 163 . 1 . 1 45 45 LYS CA C 13 55.601 . . . . . . . . 58 K CA . 50275 1 164 . 1 . 1 45 45 LYS CB C 13 33.803 . . . . . . . . 58 K CB . 50275 1 165 . 1 . 1 45 45 LYS CG C 13 25.592 . . . . . . . . 58 K CG . 50275 1 166 . 1 . 1 45 45 LYS CD C 13 29.996 . . . . . . . . 58 K CD . 50275 1 167 . 1 . 1 45 45 LYS CE C 13 41.403 . . . . . . . . 58 K CE . 50275 1 168 . 1 . 1 45 45 LYS N N 15 125.200 . . . . . . . . 58 K N . 50275 1 169 . 1 . 1 46 46 GLU C C 13 176.201 . . . . . . . . 59 E C . 50275 1 170 . 1 . 1 46 46 GLU CA C 13 56.004 . . . . . . . . 59 E CA . 50275 1 171 . 1 . 1 46 46 GLU CB C 13 30.000 . . . . . . . . 59 E CB . 50275 1 172 . 1 . 1 46 46 GLU CG C 13 36.299 . . . . . . . . 59 E CG . 50275 1 173 . 1 . 1 46 46 GLU CD C 13 181.840 . . . . . . . . 59 E CD . 50275 1 174 . 1 . 1 46 46 GLU N N 15 124.600 . . . . . . . . 59 E N . 50275 1 175 . 1 . 1 47 47 SER C C 13 175.810 . . . . . . . . 60 S C . 50275 1 176 . 1 . 1 47 47 SER CA C 13 58.498 . . . . . . . . 60 S CA . 50275 1 177 . 1 . 1 47 47 SER CB C 13 63.694 . . . . . . . . 60 S CB . 50275 1 178 . 1 . 1 47 47 SER N N 15 117.300 . . . . . . . . 60 S N . 50275 1 179 . 1 . 1 48 48 GLU C C 13 175.700 . . . . . . . . 61 E C . 50275 1 180 . 1 . 1 48 48 GLU CA C 13 54.900 . . . . . . . . 61 E CA . 50275 1 181 . 1 . 1 48 48 GLU CB C 13 32.400 . . . . . . . . 61 E CB . 50275 1 182 . 1 . 1 48 48 GLU CG C 13 36.593 . . . . . . . . 61 E CG . 50275 1 183 . 1 . 1 48 48 GLU CD C 13 182.602 . . . . . . . . 61 E CD . 50275 1 184 . 1 . 1 48 48 GLU N N 15 123.500 . . . . . . . . 61 E N . 50275 1 185 . 1 . 1 49 49 ASP C C 13 173.931 . . . . . . . . 62 D C . 50275 1 186 . 1 . 1 49 49 ASP CA C 13 56.700 . . . . . . . . 62 D CA . 50275 1 187 . 1 . 1 49 49 ASP CB C 13 43.006 . . . . . . . . 62 D CB . 50275 1 188 . 1 . 1 49 49 ASP CG C 13 178.044 . . . . . . . . 62 D CG . 50275 1 189 . 1 . 1 49 49 ASP N N 15 126.800 . . . . . . . . 62 D N . 50275 1 190 . 1 . 1 50 50 LYS C C 13 174.400 . . . . . . . . 63 K C . 50275 1 191 . 1 . 1 50 50 LYS CA C 13 55.199 . . . . . . . . 63 K CA . 50275 1 192 . 1 . 1 50 50 LYS CB C 13 33.240 . . . . . . . . 63 K CB . 50275 1 193 . 1 . 1 50 50 LYS CG C 13 25.499 . . . . . . . . 63 K CG . 50275 1 194 . 1 . 1 50 50 LYS CD C 13 29.400 . . . . . . . . 63 K CD . 50275 1 195 . 1 . 1 50 50 LYS CE C 13 43.103 . . . . . . . . 63 K CE . 50275 1 196 . 1 . 1 50 50 LYS N N 15 124.800 . . . . . . . . 63 K N . 50275 1 197 . 1 . 1 51 51 TYR C C 13 175.606 . . . . . . . . 64 Y C . 50275 1 198 . 1 . 1 51 51 TYR CA C 13 57.296 . . . . . . . . 64 Y CA . 50275 1 199 . 1 . 1 51 51 TYR CB C 13 42.793 . . . . . . . . 64 Y CB . 50275 1 200 . 1 . 1 51 51 TYR CG C 13 130.308 . . . . . . . . 64 Y CG . 50275 1 201 . 1 . 1 51 51 TYR N N 15 117.900 . . . . . . . . 64 Y N . 50275 1 202 . 1 . 1 52 52 VAL C C 13 175.301 . . . . . . . . 65 V C . 50275 1 203 . 1 . 1 52 52 VAL CA C 13 60.601 . . . . . . . . 65 V CA . 50275 1 204 . 1 . 1 52 52 VAL CB C 13 35.800 . . . . . . . . 65 V CB . 50275 1 205 . 1 . 1 52 52 VAL CG1 C 13 22.202 . . . . . . . . 65 V CG1 . 50275 1 206 . 1 . 1 52 52 VAL CG2 C 13 21.401 . . . . . . . . 65 V CG2 . 50275 1 207 . 1 . 1 52 52 VAL N N 15 122.500 . . . . . . . . 65 V N . 50275 1 208 . 1 . 1 53 53 PHE C C 13 173.503 . . . . . . . . 66 F C . 50275 1 209 . 1 . 1 53 53 PHE CA C 13 56.501 . . . . . . . . 66 F CA . 50275 1 210 . 1 . 1 53 53 PHE CB C 13 45.005 . . . . . . . . 66 F CB . 50275 1 211 . 1 . 1 53 53 PHE CG C 13 139.301 . . . . . . . . 66 F CG . 50275 1 212 . 1 . 1 53 53 PHE CD2 C 13 132.795 . . . . . . . . 66 F CD2 . 50275 1 213 . 1 . 1 53 53 PHE N N 15 120.100 . . . . . . . . 66 F N . 50275 1 214 . 1 . 1 54 54 LEU C C 13 175.499 . . . . . . . . 67 L C . 50275 1 215 . 1 . 1 54 54 LEU CA C 13 53.402 . . . . . . . . 67 L CA . 50275 1 216 . 1 . 1 54 54 LEU CB C 13 43.101 . . . . . . . . 67 L CB . 50275 1 217 . 1 . 1 54 54 LEU CG C 13 27.661 . . . . . . . . 67 L CG . 50275 1 218 . 1 . 1 54 54 LEU CD1 C 13 26.193 . . . . . . . . 67 L CD1 . 50275 1 219 . 1 . 1 54 54 LEU CD2 C 13 24.650 . . . . . . . . 67 L CD2 . 50275 1 220 . 1 . 1 54 54 LEU N N 15 126.200 . . . . . . . . 67 L N . 50275 1 221 . 1 . 1 55 55 VAL C C 13 174.801 . . . . . . . . 68 V C . 50275 1 222 . 1 . 1 55 55 VAL CA C 13 61.098 . . . . . . . . 68 V CA . 50275 1 223 . 1 . 1 55 55 VAL CB C 13 35.995 . . . . . . . . 68 V CB . 50275 1 224 . 1 . 1 55 55 VAL CG1 C 13 21.999 . . . . . . . . 68 V CG1 . 50275 1 225 . 1 . 1 55 55 VAL CG2 C 13 21.298 . . . . . . . . 68 V CG2 . 50275 1 226 . 1 . 1 55 55 VAL N N 15 120.060 . . . . . . . . 68 V N . 50275 1 227 . 1 . 1 56 56 ASP C C 13 175.146 . . . . . . . . 69 D C . 50275 1 228 . 1 . 1 56 56 ASP CA C 13 53.900 . . . . . . . . 69 D CA . 50275 1 229 . 1 . 1 56 56 ASP CB C 13 44.903 . . . . . . . . 69 D CB . 50275 1 230 . 1 . 1 56 56 ASP CG C 13 180.003 . . . . . . . . 69 D CG . 50275 1 231 . 1 . 1 56 56 ASP N N 15 126.600 . . . . . . . . 69 D N . 50275 1 232 . 1 . 1 57 57 LYS C C 13 174.705 . . . . . . . . 70 K C . 50275 1 233 . 1 . 1 57 57 LYS CA C 13 54.398 . . . . . . . . 70 K CA . 50275 1 234 . 1 . 1 57 57 LYS CB C 13 36.199 . . . . . . . . 70 K CB . 50275 1 235 . 1 . 1 57 57 LYS CG C 13 24.696 . . . . . . . . 70 K CG . 50275 1 236 . 1 . 1 57 57 LYS CD C 13 29.653 . . . . . . . . 70 K CD . 50275 1 237 . 1 . 1 57 57 LYS CE C 13 41.907 . . . . . . . . 70 K CE . 50275 1 238 . 1 . 1 57 57 LYS N N 15 120.600 . . . . . . . . 70 K N . 50275 1 239 . 1 . 1 58 58 ILE C C 13 173.732 . . . . . . . . 71 I C . 50275 1 240 . 1 . 1 58 58 ILE CA C 13 60.500 . . . . . . . . 71 I CA . 50275 1 241 . 1 . 1 58 58 ILE CB C 13 42.801 . . . . . . . . 71 I CB . 50275 1 242 . 1 . 1 58 58 ILE CG1 C 13 28.300 . . . . . . . . 71 I CG1 . 50275 1 243 . 1 . 1 58 58 ILE CG2 C 13 18.207 . . . . . . . . 71 I CG2 . 50275 1 244 . 1 . 1 58 58 ILE CD1 C 13 14.702 . . . . . . . . 71 I CD1 . 50275 1 245 . 1 . 1 58 58 ILE N N 15 127.260 . . . . . . . . 71 I N . 50275 1 246 . 1 . 1 59 59 LEU C C 13 175.297 . . . . . . . . 72 L C . 50275 1 247 . 1 . 1 59 59 LEU CA C 13 53.503 . . . . . . . . 72 L CA . 50275 1 248 . 1 . 1 59 59 LEU CB C 13 42.897 . . . . . . . . 72 L CB . 50275 1 249 . 1 . 1 59 59 LEU CG C 13 30.544 . . . . . . . . 72 L CG . 50275 1 250 . 1 . 1 59 59 LEU CD1 C 13 27.899 . . . . . . . . 72 L CD1 . 50275 1 251 . 1 . 1 59 59 LEU CD2 C 13 26.300 . . . . . . . . 72 L CD2 . 50275 1 252 . 1 . 1 59 59 LEU N N 15 128.000 . . . . . . . . 72 L N . 50275 1 253 . 1 . 1 60 60 HIS C C 13 176.601 . . . . . . . . 73 H C . 50275 1 254 . 1 . 1 60 60 HIS CA C 13 56.104 . . . . . . . . 73 H CA . 50275 1 255 . 1 . 1 60 60 HIS CB C 13 32.598 . . . . . . . . 73 H CB . 50275 1 256 . 1 . 1 60 60 HIS CG C 13 133.304 . . . . . . . . 73 H CG . 50275 1 257 . 1 . 1 60 60 HIS N N 15 120.200 . . . . . . . . 73 H N . 50275 1 258 . 1 . 1 61 61 ALA C C 13 175.598 . . . . . . . . 74 A C . 50275 1 259 . 1 . 1 61 61 ALA CA C 13 51.498 . . . . . . . . 74 A CA . 50275 1 260 . 1 . 1 61 61 ALA CB C 13 23.701 . . . . . . . . 74 A CB . 50275 1 261 . 1 . 1 61 61 ALA N N 15 125.800 . . . . . . . . 74 A N . 50275 1 262 . 1 . 1 62 62 LYS C C 13 174.999 . . . . . . . . 75 K C . 50275 1 263 . 1 . 1 62 62 LYS CA C 13 55.399 . . . . . . . . 75 K CA . 50275 1 264 . 1 . 1 62 62 LYS CB C 13 36.800 . . . . . . . . 75 K CB . 50275 1 265 . 1 . 1 62 62 LYS CG C 13 25.098 . . . . . . . . 75 K CG . 50275 1 266 . 1 . 1 62 62 LYS CD C 13 30.200 . . . . . . . . 75 K CD . 50275 1 267 . 1 . 1 62 62 LYS CE C 13 41.044 . . . . . . . . 75 K CE . 50275 1 268 . 1 . 1 62 62 LYS N N 15 120.500 . . . . . . . . 75 K N . 50275 1 269 . 1 . 1 63 63 LEU C C 13 175.129 . . . . . . . . 76 L C . 50275 1 270 . 1 . 1 63 63 LEU CA C 13 53.800 . . . . . . . . 76 L CA . 50275 1 271 . 1 . 1 63 63 LEU CB C 13 44.941 . . . . . . . . 76 L CB . 50275 1 272 . 1 . 1 63 63 LEU CG C 13 27.799 . . . . . . . . 76 L CG . 50275 1 273 . 1 . 1 63 63 LEU CD1 C 13 23.504 . . . . . . . . 76 L CD1 . 50275 1 274 . 1 . 1 63 63 LEU CD2 C 13 23.193 . . . . . . . . 76 L CD2 . 50275 1 275 . 1 . 1 63 63 LEU N N 15 120.930 . . . . . . . . 76 L N . 50275 1 276 . 1 . 1 64 64 GLN C C 13 175.942 . . . . . . . . 77 Q C . 50275 1 277 . 1 . 1 64 64 GLN CA C 13 54.249 . . . . . . . . 77 Q CA . 50275 1 278 . 1 . 1 64 64 GLN CB C 13 32.602 . . . . . . . . 77 Q CB . 50275 1 279 . 1 . 1 64 64 GLN CG C 13 34.151 . . . . . . . . 77 Q CG . 50275 1 280 . 1 . 1 64 64 GLN CD C 13 180.242 . . . . . . . . 77 Q CD . 50275 1 281 . 1 . 1 64 64 GLN N N 15 124.600 . . . . . . . . 77 Q N . 50275 1 282 . 1 . 1 65 65 ILE C C 13 174.999 . . . . . . . . 78 I C . 50275 1 283 . 1 . 1 65 65 ILE CA C 13 60.700 . . . . . . . . 78 I CA . 50275 1 284 . 1 . 1 65 65 ILE CB C 13 42.241 . . . . . . . . 78 I CB . 50275 1 285 . 1 . 1 65 65 ILE CG1 C 13 28.180 . . . . . . . . 78 I CG1 . 50275 1 286 . 1 . 1 65 65 ILE CG2 C 13 17.922 . . . . . . . . 78 I CG2 . 50275 1 287 . 1 . 1 65 65 ILE CD1 C 13 14.501 . . . . . . . . 78 I CD1 . 50275 1 288 . 1 . 1 65 65 ILE N N 15 125.600 . . . . . . . . 78 I N . 50275 1 289 . 1 . 1 66 66 THR C C 13 175.358 . . . . . . . . 79 T C . 50275 1 290 . 1 . 1 66 66 THR CA C 13 61.297 . . . . . . . . 79 T CA . 50275 1 291 . 1 . 1 66 66 THR CB C 13 71.012 . . . . . . . . 79 T CB . 50275 1 292 . 1 . 1 66 66 THR CG2 C 13 21.998 . . . . . . . . 79 T CG2 . 50275 1 293 . 1 . 1 66 66 THR N N 15 119.700 . . . . . . . . 79 T N . 50275 1 294 . 1 . 1 67 67 ASP C C 13 175.696 . . . . . . . . 80 D C . 50275 1 295 . 1 . 1 67 67 ASP CA C 13 51.923 . . . . . . . . 80 D CA . 50275 1 296 . 1 . 1 67 67 ASP CB C 13 43.801 . . . . . . . . 80 D CB . 50275 1 297 . 1 . 1 67 67 ASP CG C 13 177.869 . . . . . . . . 80 D CG . 50275 1 298 . 1 . 1 67 67 ASP N N 15 125.400 . . . . . . . . 80 D N . 50275 1 299 . 1 . 1 68 68 ARG C C 13 175.199 . . . . . . . . 81 R C . 50275 1 300 . 1 . 1 68 68 ARG CA C 13 54.601 . . . . . . . . 81 R CA . 50275 1 301 . 1 . 1 68 68 ARG CB C 13 32.904 . . . . . . . . 81 R CB . 50275 1 302 . 1 . 1 68 68 ARG CG C 13 23.898 . . . . . . . . 81 R CG . 50275 1 303 . 1 . 1 68 68 ARG CD C 13 41.998 . . . . . . . . 81 R CD . 50275 1 304 . 1 . 1 68 68 ARG N N 15 118.400 . . . . . . . . 81 R N . 50275 1 305 . 1 . 1 69 69 MET C C 13 175.503 . . . . . . . . 82 M C . 50275 1 306 . 1 . 1 69 69 MET CA C 13 55.401 . . . . . . . . 82 M CA . 50275 1 307 . 1 . 1 69 69 MET CB C 13 35.340 . . . . . . . . 82 M CB . 50275 1 308 . 1 . 1 69 69 MET CG C 13 31.281 . . . . . . . . 82 M CG . 50275 1 309 . 1 . 1 69 69 MET CE C 13 18.706 . . . . . . . . 82 M CE . 50275 1 310 . 1 . 1 69 69 MET N N 15 123.500 . . . . . . . . 82 M N . 50275 1 311 . 1 . 1 70 70 GLU C C 13 174.599 . . . . . . . . 83 E C . 50275 1 312 . 1 . 1 70 70 GLU CA C 13 54.800 . . . . . . . . 83 E CA . 50275 1 313 . 1 . 1 70 70 GLU CB C 13 30.000 . . . . . . . . 83 E CB . 50275 1 314 . 1 . 1 70 70 GLU CG C 13 34.798 . . . . . . . . 83 E CG . 50275 1 315 . 1 . 1 70 70 GLU CD C 13 183.502 . . . . . . . . 83 E CD . 50275 1 316 . 1 . 1 70 70 GLU N N 15 120.640 . . . . . . . . 83 E N . 50275 1 317 . 1 . 1 71 71 TYR C C 13 174.299 . . . . . . . . 84 Y C . 50275 1 318 . 1 . 1 71 71 TYR CA C 13 56.802 . . . . . . . . 84 Y CA . 50275 1 319 . 1 . 1 71 71 TYR CB C 13 39.700 . . . . . . . . 84 Y CB . 50275 1 320 . 1 . 1 71 71 TYR CG C 13 131.201 . . . . . . . . 84 Y CG . 50275 1 321 . 1 . 1 71 71 TYR N N 15 122.800 . . . . . . . . 84 Y N . 50275 1 322 . 1 . 1 72 72 GLN C C 13 174.098 . . . . . . . . 85 Q C . 50275 1 323 . 1 . 1 72 72 GLN CA C 13 54.701 . . . . . . . . 85 Q CA . 50275 1 324 . 1 . 1 72 72 GLN CB C 13 28.202 . . . . . . . . 85 Q CB . 50275 1 325 . 1 . 1 72 72 GLN CG C 13 34.297 . . . . . . . . 85 Q CG . 50275 1 326 . 1 . 1 72 72 GLN CD C 13 179.501 . . . . . . . . 85 Q CD . 50275 1 327 . 1 . 1 72 72 GLN N N 15 123.600 . . . . . . . . 85 Q N . 50275 1 328 . 1 . 1 73 73 ILE C C 13 174.598 . . . . . . . . 86 I C . 50275 1 329 . 1 . 1 73 73 ILE CA C 13 59.459 . . . . . . . . 86 I CA . 50275 1 330 . 1 . 1 73 73 ILE CB C 13 42.901 . . . . . . . . 86 I CB . 50275 1 331 . 1 . 1 73 73 ILE CG1 C 13 27.740 . . . . . . . . 86 I CG1 . 50275 1 332 . 1 . 1 73 73 ILE CG2 C 13 18.199 . . . . . . . . 86 I CG2 . 50275 1 333 . 1 . 1 73 73 ILE CD1 C 13 14.100 . . . . . . . . 86 I CD1 . 50275 1 334 . 1 . 1 73 73 ILE N N 15 126.071 . . . . . . . . 86 I N . 50275 1 335 . 1 . 1 74 74 ASP C C 13 173.900 . . . . . . . . 87 D C . 50275 1 336 . 1 . 1 74 74 ASP CA C 13 55.703 . . . . . . . . 87 D CA . 50275 1 337 . 1 . 1 74 74 ASP CB C 13 40.294 . . . . . . . . 87 D CB . 50275 1 338 . 1 . 1 74 74 ASP CG C 13 180.300 . . . . . . . . 87 D CG . 50275 1 339 . 1 . 1 74 74 ASP N N 15 122.300 . . . . . . . . 87 D N . 50275 1 340 . 1 . 1 75 75 VAL C C 13 175.400 . . . . . . . . 88 V C . 50275 1 341 . 1 . 1 75 75 VAL CA C 13 60.910 . . . . . . . . 88 V CA . 50275 1 342 . 1 . 1 75 75 VAL CB C 13 36.199 . . . . . . . . 88 V CB . 50275 1 343 . 1 . 1 75 75 VAL CG1 C 13 21.999 . . . . . . . . 88 V CG1 . 50275 1 344 . 1 . 1 75 75 VAL CG2 C 13 21.205 . . . . . . . . 88 V CG2 . 50275 1 345 . 1 . 1 75 75 VAL N N 15 121.500 . . . . . . . . 88 V N . 50275 1 346 . 1 . 1 76 76 GLN C C 13 174.401 . . . . . . . . 89 Q C . 50275 1 347 . 1 . 1 76 76 GLN CA C 13 55.404 . . . . . . . . 89 Q CA . 50275 1 348 . 1 . 1 76 76 GLN CB C 13 30.900 . . . . . . . . 89 Q CB . 50275 1 349 . 1 . 1 76 76 GLN CG C 13 32.362 . . . . . . . . 89 Q CG . 50275 1 350 . 1 . 1 76 76 GLN CD C 13 179.401 . . . . . . . . 89 Q CD . 50275 1 351 . 1 . 1 76 76 GLN N N 15 122.440 . . . . . . . . 89 Q N . 50275 1 352 . 1 . 1 77 77 ILE C C 13 175.461 . . . . . . . . 90 I C . 50275 1 353 . 1 . 1 77 77 ILE CA C 13 60.199 . . . . . . . . 90 I CA . 50275 1 354 . 1 . 1 77 77 ILE CB C 13 40.801 . . . . . . . . 90 I CB . 50275 1 355 . 1 . 1 77 77 ILE CG1 C 13 27.840 . . . . . . . . 90 I CG1 . 50275 1 356 . 1 . 1 77 77 ILE CG2 C 13 17.938 . . . . . . . . 90 I CG2 . 50275 1 357 . 1 . 1 77 77 ILE CD1 C 13 14.853 . . . . . . . . 90 I CD1 . 50275 1 358 . 1 . 1 77 77 ILE N N 15 126.500 . . . . . . . . 90 I N . 50275 1 359 . 1 . 1 78 78 SER C C 13 173.405 . . . . . . . . 91 S C . 50275 1 360 . 1 . 1 78 78 SER CA C 13 57.297 . . . . . . . . 91 S CA . 50275 1 361 . 1 . 1 78 78 SER CB C 13 66.303 . . . . . . . . 91 S CB . 50275 1 362 . 1 . 1 78 78 SER N N 15 120.450 . . . . . . . . 91 S N . 50275 1 363 . 1 . 1 79 79 ARG C C 13 176.604 . . . . . . . . 92 R C . 50275 1 364 . 1 . 1 79 79 ARG CA C 13 58.299 . . . . . . . . 92 R CA . 50275 1 365 . 1 . 1 79 79 ARG CB C 13 31.805 . . . . . . . . 92 R CB . 50275 1 366 . 1 . 1 79 79 ARG CG C 13 27.341 . . . . . . . . 92 R CG . 50275 1 367 . 1 . 1 79 79 ARG CD C 13 43.813 . . . . . . . . 92 R CD . 50275 1 368 . 1 . 1 79 79 ARG CZ C 13 164.999 . . . . . . . . 92 R CZ . 50275 1 369 . 1 . 1 79 79 ARG N N 15 124.600 . . . . . . . . 92 R N . 50275 1 370 . 1 . 1 80 80 SER C C 13 176.600 . . . . . . . . 93 S C . 50275 1 371 . 1 . 1 80 80 SER CA C 13 57.001 . . . . . . . . 93 S CA . 50275 1 372 . 1 . 1 80 80 SER CB C 13 66.199 . . . . . . . . 93 S CB . 50275 1 373 . 1 . 1 80 80 SER N N 15 123.700 . . . . . . . . 93 S N . 50275 1 374 . 1 . 1 81 81 ASN C C 13 174.001 . . . . . . . . 94 N C . 50275 1 375 . 1 . 1 81 81 ASN CA C 13 53.798 . . . . . . . . 94 N CA . 50275 1 376 . 1 . 1 81 81 ASN CB C 13 38.304 . . . . . . . . 94 N CB . 50275 1 377 . 1 . 1 81 81 ASN CG C 13 177.296 . . . . . . . . 94 N CG . 50275 1 378 . 1 . 1 81 81 ASN N N 15 116.600 . . . . . . . . 94 N N . 50275 1 379 . 1 . 1 82 82 CYS C C 13 173.498 . . . . . . . . 95 C C . 50275 1 380 . 1 . 1 82 82 CYS CA C 13 54.199 . . . . . . . . 95 C CA . 50275 1 381 . 1 . 1 82 82 CYS CB C 13 44.304 . . . . . . . . 95 C CB . 50275 1 382 . 1 . 1 82 82 CYS N N 15 120.800 . . . . . . . . 95 C N . 50275 1 383 . 1 . 1 83 83 LYS C C 13 175.999 . . . . . . . . 96 K C . 50275 1 384 . 1 . 1 83 83 LYS CA C 13 55.200 . . . . . . . . 96 K CA . 50275 1 385 . 1 . 1 83 83 LYS CB C 13 33.896 . . . . . . . . 96 K CB . 50275 1 386 . 1 . 1 83 83 LYS CG C 13 24.449 . . . . . . . . 96 K CG . 50275 1 387 . 1 . 1 83 83 LYS CD C 13 29.899 . . . . . . . . 96 K CD . 50275 1 388 . 1 . 1 83 83 LYS CE C 13 43.001 . . . . . . . . 96 K CE . 50275 1 389 . 1 . 1 83 83 LYS N N 15 126.800 . . . . . . . . 96 K N . 50275 1 390 . 1 . 1 84 84 LYS C C 13 175.503 . . . . . . . . 97 K C . 50275 1 391 . 1 . 1 84 84 LYS CA C 13 56.400 . . . . . . . . 97 K CA . 50275 1 392 . 1 . 1 84 84 LYS CB C 13 36.492 . . . . . . . . 97 K CB . 50275 1 393 . 1 . 1 84 84 LYS CG C 13 25.599 . . . . . . . . 97 K CG . 50275 1 394 . 1 . 1 84 84 LYS CD C 13 28.012 . . . . . . . . 97 K CD . 50275 1 395 . 1 . 1 84 84 LYS CE C 13 42.497 . . . . . . . . 97 K CE . 50275 1 396 . 1 . 1 84 84 LYS N N 15 118.000 . . . . . . . . 97 K N . 50275 1 397 . 1 . 1 85 85 PRO C C 13 175.740 . . . . . . . . 98 P C . 50275 1 398 . 1 . 1 85 85 PRO CA C 13 63.340 . . . . . . . . 98 P CA . 50275 1 399 . 1 . 1 85 85 PRO CB C 13 32.410 . . . . . . . . 98 P CB . 50275 1 400 . 1 . 1 85 85 PRO CG C 13 27.690 . . . . . . . . 98 P CG . 50275 1 401 . 1 . 1 85 85 PRO CD C 13 50.530 . . . . . . . . 98 P CD . 50275 1 402 . 1 . 1 85 85 PRO N N 15 126.500 . . . . . . . . 98 P N . 50275 1 403 . 1 . 1 86 86 LEU C C 13 175.100 . . . . . . . . 99 L C . 50275 1 404 . 1 . 1 86 86 LEU CA C 13 53.500 . . . . . . . . 99 L CA . 50275 1 405 . 1 . 1 86 86 LEU CB C 13 44.596 . . . . . . . . 99 L CB . 50275 1 406 . 1 . 1 86 86 LEU CG C 13 30.101 . . . . . . . . 99 L CG . 50275 1 407 . 1 . 1 86 86 LEU CD1 C 13 27.401 . . . . . . . . 99 L CD1 . 50275 1 408 . 1 . 1 86 86 LEU CD2 C 13 25.998 . . . . . . . . 99 L CD2 . 50275 1 409 . 1 . 1 86 86 LEU N N 15 123.600 . . . . . . . . 99 L N . 50275 1 410 . 1 . 1 87 87 ASN C C 13 175.199 . . . . . . . . 100 N C . 50275 1 411 . 1 . 1 87 87 ASN CA C 13 52.500 . . . . . . . . 100 N CA . 50275 1 412 . 1 . 1 87 87 ASN CB C 13 40.799 . . . . . . . . 100 N CB . 50275 1 413 . 1 . 1 87 87 ASN CG C 13 176.401 . . . . . . . . 100 N CG . 50275 1 414 . 1 . 1 87 87 ASN N N 15 124.599 . . . . . . . . 100 N N . 50275 1 415 . 1 . 1 88 88 ASN C C 13 175.302 . . . . . . . . 101 N C . 50275 1 416 . 1 . 1 88 88 ASN CA C 13 54.901 . . . . . . . . 101 N CA . 50275 1 417 . 1 . 1 88 88 ASN CB C 13 37.318 . . . . . . . . 101 N CB . 50275 1 418 . 1 . 1 88 88 ASN CG C 13 179.500 . . . . . . . . 101 N CG . 50275 1 419 . 1 . 1 88 88 ASN N N 15 124.599 . . . . . . . . 101 N N . 50275 1 420 . 1 . 1 89 89 THR C C 13 174.697 . . . . . . . . 102 T C . 50275 1 421 . 1 . 1 89 89 THR CA C 13 61.900 . . . . . . . . 102 T CA . 50275 1 422 . 1 . 1 89 89 THR CB C 13 69.798 . . . . . . . . 102 T CB . 50275 1 423 . 1 . 1 89 89 THR CG2 C 13 21.996 . . . . . . . . 102 T CG2 . 50275 1 424 . 1 . 1 89 89 THR N N 15 122.900 . . . . . . . . 102 T N . 50275 1 425 . 1 . 1 90 90 GLU C C 13 173.800 . . . . . . . . 103 E C . 50275 1 426 . 1 . 1 90 90 GLU CA C 13 55.998 . . . . . . . . 103 E CA . 50275 1 427 . 1 . 1 90 90 GLU CB C 13 29.902 . . . . . . . . 103 E CB . 50275 1 428 . 1 . 1 90 90 GLU CG C 13 36.358 . . . . . . . . 103 E CG . 50275 1 429 . 1 . 1 90 90 GLU CD C 13 184.098 . . . . . . . . 103 E CD . 50275 1 430 . 1 . 1 90 90 GLU N N 15 125.830 . . . . . . . . 103 E N . 50275 1 431 . 1 . 1 91 91 ASN C C 13 174.698 . . . . . . . . 104 N C . 50275 1 432 . 1 . 1 91 91 ASN CA C 13 53.797 . . . . . . . . 104 N CA . 50275 1 433 . 1 . 1 91 91 ASN CB C 13 41.800 . . . . . . . . 104 N CB . 50275 1 434 . 1 . 1 91 91 ASN CG C 13 176.799 . . . . . . . . 104 N CG . 50275 1 435 . 1 . 1 91 91 ASN N N 15 121.700 . . . . . . . . 104 N N . 50275 1 436 . 1 . 1 92 92 CYS C C 13 174.201 . . . . . . . . 105 C C . 50275 1 437 . 1 . 1 92 92 CYS CA C 13 54.700 . . . . . . . . 105 C CA . 50275 1 438 . 1 . 1 92 92 CYS CB C 13 37.950 . . . . . . . . 105 C CB . 50275 1 439 . 1 . 1 92 92 CYS N N 15 126.900 . . . . . . . . 105 C N . 50275 1 440 . 1 . 1 93 93 ILE C C 13 175.302 . . . . . . . . 106 I C . 50275 1 441 . 1 . 1 93 93 ILE CA C 13 60.482 . . . . . . . . 106 I CA . 50275 1 442 . 1 . 1 93 93 ILE CB C 13 39.853 . . . . . . . . 106 I CB . 50275 1 443 . 1 . 1 93 93 ILE CG1 C 13 28.237 . . . . . . . . 106 I CG1 . 50275 1 444 . 1 . 1 93 93 ILE CG2 C 13 18.502 . . . . . . . . 106 I CG2 . 50275 1 445 . 1 . 1 93 93 ILE CD1 C 13 14.111 . . . . . . . . 106 I CD1 . 50275 1 446 . 1 . 1 93 93 ILE N N 15 122.800 . . . . . . . . 106 I N . 50275 1 447 . 1 . 1 94 94 PRO C C 13 175.410 . . . . . . . . 107 P C . 50275 1 448 . 1 . 1 94 94 PRO CA C 13 64.410 . . . . . . . . 107 P CA . 50275 1 449 . 1 . 1 94 94 PRO CB C 13 32.590 . . . . . . . . 107 P CB . 50275 1 450 . 1 . 1 94 94 PRO CG C 13 27.890 . . . . . . . . 107 P CG . 50275 1 451 . 1 . 1 94 94 PRO CD C 13 50.500 . . . . . . . . 107 P CD . 50275 1 452 . 1 . 1 94 94 PRO N N 15 125.340 . . . . . . . . 107 P N . 50275 1 453 . 1 . 1 95 95 GLN C C 13 173.898 . . . . . . . . 108 Q C . 50275 1 454 . 1 . 1 95 95 GLN CA C 13 54.702 . . . . . . . . 108 Q CA . 50275 1 455 . 1 . 1 95 95 GLN CB C 13 31.897 . . . . . . . . 108 Q CB . 50275 1 456 . 1 . 1 95 95 GLN CG C 13 34.380 . . . . . . . . 108 Q CG . 50275 1 457 . 1 . 1 95 95 GLN CD C 13 178.199 . . . . . . . . 108 Q CD . 50275 1 458 . 1 . 1 95 95 GLN N N 15 123.000 . . . . . . . . 108 Q N . 50275 1 459 . 1 . 1 96 96 LYS C C 13 174.940 . . . . . . . . 109 K C . 50275 1 460 . 1 . 1 96 96 LYS CA C 13 55.002 . . . . . . . . 109 K CA . 50275 1 461 . 1 . 1 96 96 LYS CB C 13 36.004 . . . . . . . . 109 K CB . 50275 1 462 . 1 . 1 96 96 LYS CG C 13 25.703 . . . . . . . . 109 K CG . 50275 1 463 . 1 . 1 96 96 LYS CD C 13 29.998 . . . . . . . . 109 K CD . 50275 1 464 . 1 . 1 96 96 LYS CE C 13 42.025 . . . . . . . . 109 K CE . 50275 1 465 . 1 . 1 96 96 LYS N N 15 127.100 . . . . . . . . 109 K N . 50275 1 466 . 1 . 1 97 97 LYS C C 13 174.450 . . . . . . . . 110 K C . 50275 1 467 . 1 . 1 97 97 LYS CA C 13 55.743 . . . . . . . . 110 K CA . 50275 1 468 . 1 . 1 97 97 LYS CB C 13 36.606 . . . . . . . . 110 K CB . 50275 1 469 . 1 . 1 97 97 LYS CG C 13 25.398 . . . . . . . . 110 K CG . 50275 1 470 . 1 . 1 97 97 LYS CD C 13 29.500 . . . . . . . . 110 K CD . 50275 1 471 . 1 . 1 97 97 LYS CE C 13 41.997 . . . . . . . . 110 K CE . 50275 1 472 . 1 . 1 97 97 LYS N N 15 123.540 . . . . . . . . 110 K N . 50275 1 473 . 1 . 1 98 98 PRO C C 13 175.810 . . . . . . . . 111 P C . 50275 1 474 . 1 . 1 98 98 PRO CA C 13 62.600 . . . . . . . . 111 P CA . 50275 1 475 . 1 . 1 98 98 PRO CB C 13 33.640 . . . . . . . . 111 P CB . 50275 1 476 . 1 . 1 98 98 PRO CG C 13 27.700 . . . . . . . . 111 P CG . 50275 1 477 . 1 . 1 98 98 PRO CD C 13 50.220 . . . . . . . . 111 P CD . 50275 1 478 . 1 . 1 98 98 PRO N N 15 125.400 . . . . . . . . 111 P N . 50275 1 479 . 1 . 1 99 99 GLU C C 13 176.200 . . . . . . . . 112 E C . 50275 1 480 . 1 . 1 99 99 GLU CA C 13 58.602 . . . . . . . . 112 E CA . 50275 1 481 . 1 . 1 99 99 GLU CB C 13 30.100 . . . . . . . . 112 E CB . 50275 1 482 . 1 . 1 99 99 GLU CG C 13 36.303 . . . . . . . . 112 E CG . 50275 1 483 . 1 . 1 99 99 GLU CD C 13 182.798 . . . . . . . . 112 E CD . 50275 1 484 . 1 . 1 99 99 GLU N N 15 119.060 . . . . . . . . 112 E N . 50275 1 485 . 1 . 1 100 100 LEU C C 13 175.800 . . . . . . . . 113 L C . 50275 1 486 . 1 . 1 100 100 LEU CA C 13 56.700 . . . . . . . . 113 L CA . 50275 1 487 . 1 . 1 100 100 LEU CB C 13 41.002 . . . . . . . . 113 L CB . 50275 1 488 . 1 . 1 100 100 LEU CG C 13 29.499 . . . . . . . . 113 L CG . 50275 1 489 . 1 . 1 100 100 LEU CD1 C 13 25.598 . . . . . . . . 113 L CD1 . 50275 1 490 . 1 . 1 100 100 LEU CD2 C 13 24.499 . . . . . . . . 113 L CD2 . 50275 1 491 . 1 . 1 100 100 LEU N N 15 124.100 . . . . . . . . 113 L N . 50275 1 492 . 1 . 1 101 101 GLU C C 13 173.909 . . . . . . . . 114 E C . 50275 1 493 . 1 . 1 101 101 GLU CA C 13 54.900 . . . . . . . . 114 E CA . 50275 1 494 . 1 . 1 101 101 GLU CB C 13 33.295 . . . . . . . . 114 E CB . 50275 1 495 . 1 . 1 101 101 GLU CG C 13 36.299 . . . . . . . . 114 E CG . 50275 1 496 . 1 . 1 101 101 GLU CD C 13 183.437 . . . . . . . . 114 E CD . 50275 1 497 . 1 . 1 101 101 GLU N N 15 122.800 . . . . . . . . 114 E N . 50275 1 498 . 1 . 1 102 102 LYS C C 13 175.500 . . . . . . . . 115 K C . 50275 1 499 . 1 . 1 102 102 LYS CA C 13 55.708 . . . . . . . . 115 K CA . 50275 1 500 . 1 . 1 102 102 LYS CB C 13 34.396 . . . . . . . . 115 K CB . 50275 1 501 . 1 . 1 102 102 LYS CG C 13 23.199 . . . . . . . . 115 K CG . 50275 1 502 . 1 . 1 102 102 LYS CD C 13 30.509 . . . . . . . . 115 K CD . 50275 1 503 . 1 . 1 102 102 LYS CE C 13 42.298 . . . . . . . . 115 K CE . 50275 1 504 . 1 . 1 102 102 LYS N N 15 122.600 . . . . . . . . 115 K N . 50275 1 505 . 1 . 1 103 103 LYS C C 13 175.204 . . . . . . . . 116 K C . 50275 1 506 . 1 . 1 103 103 LYS CA C 13 55.203 . . . . . . . . 116 K CA . 50275 1 507 . 1 . 1 103 103 LYS CB C 13 33.999 . . . . . . . . 116 K CB . 50275 1 508 . 1 . 1 103 103 LYS CG C 13 24.404 . . . . . . . . 116 K CG . 50275 1 509 . 1 . 1 103 103 LYS CD C 13 30.000 . . . . . . . . 116 K CD . 50275 1 510 . 1 . 1 103 103 LYS CE C 13 42.102 . . . . . . . . 116 K CE . 50275 1 511 . 1 . 1 103 103 LYS N N 15 127.200 . . . . . . . . 116 K N . 50275 1 512 . 1 . 1 104 104 MET C C 13 175.065 . . . . . . . . 117 M C . 50275 1 513 . 1 . 1 104 104 MET CA C 13 54.797 . . . . . . . . 117 M CA . 50275 1 514 . 1 . 1 104 104 MET CB C 13 38.201 . . . . . . . . 117 M CB . 50275 1 515 . 1 . 1 104 104 MET CG C 13 28.701 . . . . . . . . 117 M CG . 50275 1 516 . 1 . 1 104 104 MET CE C 13 18.383 . . . . . . . . 117 M CE . 50275 1 517 . 1 . 1 104 104 MET N N 15 120.550 . . . . . . . . 117 M N . 50275 1 518 . 1 . 1 105 105 SER C C 13 173.503 . . . . . . . . 118 S C . 50275 1 519 . 1 . 1 105 105 SER CA C 13 56.999 . . . . . . . . 118 S CA . 50275 1 520 . 1 . 1 105 105 SER CB C 13 65.929 . . . . . . . . 118 S CB . 50275 1 521 . 1 . 1 105 105 SER N N 15 119.130 . . . . . . . . 118 S N . 50275 1 522 . 1 . 1 106 106 CYS C C 13 173.418 . . . . . . . . 119 C C . 50275 1 523 . 1 . 1 106 106 CYS CA C 13 54.900 . . . . . . . . 119 C CA . 50275 1 524 . 1 . 1 106 106 CYS CB C 13 49.203 . . . . . . . . 119 C CB . 50275 1 525 . 1 . 1 106 106 CYS N N 15 122.500 . . . . . . . . 119 C N . 50275 1 526 . 1 . 1 107 107 SER C C 13 172.900 . . . . . . . . 120 S C . 50275 1 527 . 1 . 1 107 107 SER CA C 13 56.701 . . . . . . . . 120 S CA . 50275 1 528 . 1 . 1 107 107 SER CB C 13 64.602 . . . . . . . . 120 S CB . 50275 1 529 . 1 . 1 107 107 SER N N 15 117.800 . . . . . . . . 120 S N . 50275 1 530 . 1 . 1 108 108 PHE C C 13 175.097 . . . . . . . . 121 F C . 50275 1 531 . 1 . 1 108 108 PHE CA C 13 56.501 . . . . . . . . 121 F CA . 50275 1 532 . 1 . 1 108 108 PHE CB C 13 44.302 . . . . . . . . 121 F CB . 50275 1 533 . 1 . 1 108 108 PHE CG C 13 139.298 . . . . . . . . 121 F CG . 50275 1 534 . 1 . 1 108 108 PHE CD2 C 13 133.196 . . . . . . . . 121 F CD2 . 50275 1 535 . 1 . 1 108 108 PHE N N 15 120.700 . . . . . . . . 121 F N . 50275 1 536 . 1 . 1 109 109 LEU C C 13 174.808 . . . . . . . . 122 L C . 50275 1 537 . 1 . 1 109 109 LEU CA C 13 55.006 . . . . . . . . 122 L CA . 50275 1 538 . 1 . 1 109 109 LEU CB C 13 44.201 . . . . . . . . 122 L CB . 50275 1 539 . 1 . 1 109 109 LEU CG C 13 27.713 . . . . . . . . 122 L CG . 50275 1 540 . 1 . 1 109 109 LEU CD1 C 13 25.600 . . . . . . . . 122 L CD1 . 50275 1 541 . 1 . 1 109 109 LEU CD2 C 13 23.301 . . . . . . . . 122 L CD2 . 50275 1 542 . 1 . 1 109 109 LEU N N 15 124.400 . . . . . . . . 122 L N . 50275 1 543 . 1 . 1 110 110 VAL C C 13 178.700 . . . . . . . . 123 V C . 50275 1 544 . 1 . 1 110 110 VAL CA C 13 59.599 . . . . . . . . 123 V CA . 50275 1 545 . 1 . 1 110 110 VAL CB C 13 32.850 . . . . . . . . 123 V CB . 50275 1 546 . 1 . 1 110 110 VAL CG1 C 13 20.903 . . . . . . . . 123 V CG1 . 50275 1 547 . 1 . 1 110 110 VAL CG2 C 13 22.789 . . . . . . . . 123 V CG2 . 50275 1 548 . 1 . 1 110 110 VAL N N 15 119.400 . . . . . . . . 123 V N . 50275 1 549 . 1 . 1 111 111 GLY C C 13 172.298 . . . . . . . . 124 G C . 50275 1 550 . 1 . 1 111 111 GLY CA C 13 44.301 . . . . . . . . 124 G CA . 50275 1 551 . 1 . 1 111 111 GLY N N 15 127.000 . . . . . . . . 124 G N . 50275 1 552 . 1 . 1 112 112 ALA C C 13 174.098 . . . . . . . . 125 A C . 50275 1 553 . 1 . 1 112 112 ALA CA C 13 52.701 . . . . . . . . 125 A CA . 50275 1 554 . 1 . 1 112 112 ALA CB C 13 21.701 . . . . . . . . 125 A CB . 50275 1 555 . 1 . 1 112 112 ALA N N 15 128.600 . . . . . . . . 125 A N . 50275 1 556 . 1 . 1 113 113 LEU C C 13 174.902 . . . . . . . . 126 L C . 50275 1 557 . 1 . 1 113 113 LEU CA C 13 54.599 . . . . . . . . 126 L CA . 50275 1 558 . 1 . 1 113 113 LEU CB C 13 41.900 . . . . . . . . 126 L CB . 50275 1 559 . 1 . 1 113 113 LEU CG C 13 27.898 . . . . . . . . 126 L CG . 50275 1 560 . 1 . 1 113 113 LEU CD1 C 13 25.698 . . . . . . . . 126 L CD1 . 50275 1 561 . 1 . 1 113 113 LEU CD2 C 13 23.600 . . . . . . . . 126 L CD2 . 50275 1 562 . 1 . 1 113 113 LEU N N 15 127.000 . . . . . . . . 126 L N . 50275 1 563 . 1 . 1 114 114 PRO C C 13 178.250 . . . . . . . . 127 P C . 50275 1 564 . 1 . 1 114 114 PRO CA C 13 62.350 . . . . . . . . 127 P CA . 50275 1 565 . 1 . 1 114 114 PRO CB C 13 32.420 . . . . . . . . 127 P CB . 50275 1 566 . 1 . 1 114 114 PRO CG C 13 27.300 . . . . . . . . 127 P CG . 50275 1 567 . 1 . 1 114 114 PRO CD C 13 51.040 . . . . . . . . 127 P CD . 50275 1 568 . 1 . 1 114 114 PRO N N 15 126.500 . . . . . . . . 127 P N . 50275 1 569 . 1 . 1 115 115 TRP C C 13 174.199 . . . . . . . . 128 W C . 50275 1 570 . 1 . 1 115 115 TRP CA C 13 56.801 . . . . . . . . 128 W CA . 50275 1 571 . 1 . 1 115 115 TRP CB C 13 30.696 . . . . . . . . 128 W CB . 50275 1 572 . 1 . 1 115 115 TRP CD2 C 13 131.361 . . . . . . . . 128 W CD2 . 50275 1 573 . 1 . 1 115 115 TRP N N 15 115.700 . . . . . . . . 128 W N . 50275 1 574 . 1 . 1 116 116 ASN C C 13 174.577 . . . . . . . . 129 N C . 50275 1 575 . 1 . 1 116 116 ASN CA C 13 57.200 . . . . . . . . 129 N CA . 50275 1 576 . 1 . 1 116 116 ASN CB C 13 42.164 . . . . . . . . 129 N CB . 50275 1 577 . 1 . 1 116 116 ASN CG C 13 177.000 . . . . . . . . 129 N CG . 50275 1 578 . 1 . 1 116 116 ASN N N 15 121.000 . . . . . . . . 129 N N . 50275 1 579 . 1 . 1 117 117 GLY C C 13 172.700 . . . . . . . . 130 G C . 50275 1 580 . 1 . 1 117 117 GLY CA C 13 44.201 . . . . . . . . 130 G CA . 50275 1 581 . 1 . 1 117 117 GLY N N 15 114.230 . . . . . . . . 130 G N . 50275 1 582 . 1 . 1 118 118 GLU C C 13 174.451 . . . . . . . . 131 E C . 50275 1 583 . 1 . 1 118 118 GLU CA C 13 55.103 . . . . . . . . 131 E CA . 50275 1 584 . 1 . 1 118 118 GLU CB C 13 35.992 . . . . . . . . 131 E CB . 50275 1 585 . 1 . 1 118 118 GLU CG C 13 33.401 . . . . . . . . 131 E CG . 50275 1 586 . 1 . 1 118 118 GLU CD C 13 183.404 . . . . . . . . 131 E CD . 50275 1 587 . 1 . 1 118 118 GLU N N 15 123.600 . . . . . . . . 131 E N . 50275 1 588 . 1 . 1 119 119 PHE C C 13 176.100 . . . . . . . . 132 F C . 50275 1 589 . 1 . 1 119 119 PHE CA C 13 57.300 . . . . . . . . 132 F CA . 50275 1 590 . 1 . 1 119 119 PHE CB C 13 41.897 . . . . . . . . 132 F CB . 50275 1 591 . 1 . 1 119 119 PHE CG C 13 139.283 . . . . . . . . 132 F CG . 50275 1 592 . 1 . 1 119 119 PHE CD2 C 13 133.601 . . . . . . . . 132 F CD2 . 50275 1 593 . 1 . 1 119 119 PHE N N 15 122.800 . . . . . . . . 132 F N . 50275 1 594 . 1 . 1 120 120 ASN C C 13 174.205 . . . . . . . . 133 N C . 50275 1 595 . 1 . 1 120 120 ASN CA C 13 53.500 . . . . . . . . 133 N CA . 50275 1 596 . 1 . 1 120 120 ASN CB C 13 38.252 . . . . . . . . 133 N CB . 50275 1 597 . 1 . 1 120 120 ASN CG C 13 176.212 . . . . . . . . 133 N CG . 50275 1 598 . 1 . 1 120 120 ASN N N 15 116.030 . . . . . . . . 133 N N . 50275 1 599 . 1 . 1 121 121 LEU C C 13 174.200 . . . . . . . . 134 L C . 50275 1 600 . 1 . 1 121 121 LEU CA C 13 56.700 . . . . . . . . 134 L CA . 50275 1 601 . 1 . 1 121 121 LEU CB C 13 41.305 . . . . . . . . 134 L CB . 50275 1 602 . 1 . 1 121 121 LEU CG C 13 29.570 . . . . . . . . 134 L CG . 50275 1 603 . 1 . 1 121 121 LEU CD1 C 13 27.700 . . . . . . . . 134 L CD1 . 50275 1 604 . 1 . 1 121 121 LEU CD2 C 13 25.901 . . . . . . . . 134 L CD2 . 50275 1 605 . 1 . 1 121 121 LEU N N 15 124.500 . . . . . . . . 134 L N . 50275 1 606 . 1 . 1 122 122 LEU C C 13 178.139 . . . . . . . . 135 L C . 50275 1 607 . 1 . 1 122 122 LEU CA C 13 56.895 . . . . . . . . 135 L CA . 50275 1 608 . 1 . 1 122 122 LEU CB C 13 42.603 . . . . . . . . 135 L CB . 50275 1 609 . 1 . 1 122 122 LEU CG C 13 27.295 . . . . . . . . 135 L CG . 50275 1 610 . 1 . 1 122 122 LEU CD1 C 13 25.497 . . . . . . . . 135 L CD1 . 50275 1 611 . 1 . 1 122 122 LEU N N 15 129.400 . . . . . . . . 135 L N . 50275 1 612 . 1 . 1 123 123 SER C C 13 172.903 . . . . . . . . 136 S C . 50275 1 613 . 1 . 1 123 123 SER CA C 13 58.305 . . . . . . . . 136 S CA . 50275 1 614 . 1 . 1 123 123 SER CB C 13 64.900 . . . . . . . . 136 S CB . 50275 1 615 . 1 . 1 123 123 SER N N 15 110.700 . . . . . . . . 136 S N . 50275 1 616 . 1 . 1 124 124 LYS C C 13 175.000 . . . . . . . . 137 K C . 50275 1 617 . 1 . 1 124 124 LYS CA C 13 55.399 . . . . . . . . 137 K CA . 50275 1 618 . 1 . 1 124 124 LYS CB C 13 35.799 . . . . . . . . 137 K CB . 50275 1 619 . 1 . 1 124 124 LYS CG C 13 25.100 . . . . . . . . 137 K CG . 50275 1 620 . 1 . 1 124 124 LYS CD C 13 30.498 . . . . . . . . 137 K CD . 50275 1 621 . 1 . 1 124 124 LYS CE C 13 43.197 . . . . . . . . 137 K CE . 50275 1 622 . 1 . 1 124 124 LYS N N 15 121.500 . . . . . . . . 137 K N . 50275 1 623 . 1 . 1 125 125 GLU C C 13 174.800 . . . . . . . . 138 E C . 50275 1 624 . 1 . 1 125 125 GLU CA C 13 55.902 . . . . . . . . 138 E CA . 50275 1 625 . 1 . 1 125 125 GLU CB C 13 32.701 . . . . . . . . 138 E CB . 50275 1 626 . 1 . 1 125 125 GLU CG C 13 36.803 . . . . . . . . 138 E CG . 50275 1 627 . 1 . 1 125 125 GLU CD C 13 181.335 . . . . . . . . 138 E CD . 50275 1 628 . 1 . 1 125 125 GLU N N 15 123.000 . . . . . . . . 138 E N . 50275 1 629 . 1 . 1 126 126 CYS C C 13 173.402 . . . . . . . . 139 C C . 50275 1 630 . 1 . 1 126 126 CYS CA C 13 55.697 . . . . . . . . 139 C CA . 50275 1 631 . 1 . 1 126 126 CYS CB C 13 49.698 . . . . . . . . 139 C CB . 50275 1 632 . 1 . 1 126 126 CYS N N 15 124.500 . . . . . . . . 139 C N . 50275 1 633 . 1 . 1 127 127 LYS C C 13 175.000 . . . . . . . . 140 K C . 50275 1 634 . 1 . 1 127 127 LYS CA C 13 54.600 . . . . . . . . 140 K CA . 50275 1 635 . 1 . 1 127 127 LYS CB C 13 36.401 . . . . . . . . 140 K CB . 50275 1 636 . 1 . 1 127 127 LYS CG C 13 24.800 . . . . . . . . 140 K CG . 50275 1 637 . 1 . 1 127 127 LYS CD C 13 29.800 . . . . . . . . 140 K CD . 50275 1 638 . 1 . 1 127 127 LYS CE C 13 42.200 . . . . . . . . 140 K CE . 50275 1 639 . 1 . 1 127 127 LYS N N 15 122.100 . . . . . . . . 140 K N . 50275 1 640 . 1 . 1 128 128 ASP C C 13 175.102 . . . . . . . . 141 D C . 50275 1 641 . 1 . 1 128 128 ASP CA C 13 55.801 . . . . . . . . 141 D CA . 50275 1 642 . 1 . 1 128 128 ASP CB C 13 41.604 . . . . . . . . 141 D CB . 50275 1 643 . 1 . 1 128 128 ASP CG C 13 180.196 . . . . . . . . 141 D CG . 50275 1 644 . 1 . 1 128 128 ASP N N 15 122.700 . . . . . . . . 141 D N . 50275 1 645 . 1 . 1 129 129 VAL C C 13 180.898 . . . . . . . . 142 V C . 50275 1 646 . 1 . 1 129 129 VAL CA C 13 63.999 . . . . . . . . 142 V CA . 50275 1 647 . 1 . 1 129 129 VAL CB C 13 33.592 . . . . . . . . 142 V CB . 50275 1 648 . 1 . 1 129 129 VAL CG1 C 13 22.696 . . . . . . . . 142 V CG1 . 50275 1 649 . 1 . 1 129 129 VAL CG2 C 13 21.336 . . . . . . . . 142 V CG2 . 50275 1 650 . 1 . 1 129 129 VAL N N 15 124.000 . . . . . . . . 142 V N . 50275 1 stop_ save_