data_50952 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50952 _Entry.Title ; MoPrP(89-230)_U3G1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-20 _Entry.Accession_date 2021-05-20 _Entry.Last_release_date 2021-05-21 _Entry.Original_release_date 2021-05-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Solid state NMR data of MoPrP(89-230) fibrils, prepared in 3M Urea, 1M GdnHCl, pH 7.4 PBS buffer' _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 Jekabs Fridmanis . . . 0000-0002-0116-5208 50952 2 Kristaps Jaudzems . . . 0000-0003-3922-2447 50952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 50952 '15N chemical shifts' 56 50952 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-09-16 . original BMRB . 50952 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50952 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34502545 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Aggregation Condition-Structure Relationship of Mouse Prion Protein Fibrils ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 22 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 9635 _Citation.Page_last 9635 _Citation.Year 2021 _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 Jekabs Fridmanis . . . . 50952 1 2 Zigmantas Toleikis . . . . 50952 1 3 Tomas Sneideris . . . . 50952 1 4 Mantas Ziaunys . . . . 50952 1 5 Raitis Bobrovs . . . . 50952 1 6 Vytautas Smirnovas . . . . 50952 1 7 Kristaps Jaudzems . . . . 50952 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'amyloid, prion protein, fibril structure, aggregation conditions' 50952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50952 _Assembly.ID 1 _Assembly.Name 'MoPrP(89-230) U3G1 fibrils' _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 MoPrP(89-230) 1 $entity_1 . . yes denatured no no . . . 50952 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 92 92 SG . 1 . 1 CYS 127 127 SG . . . . . . . . . . . . 50952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50952 _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 ; GSGQGGGTHNQWNKPSKPKT NLKHVAGAAAAGAVVGGLGG YMLGSAMSRPMIHFGNDWED RYYRENMYRYPNQVYYRPVD QYSNQNNFVHDCVNITIKQH TVTTTTKGENFTETDVKMME RVVEQMCVTQYQKESQAYYD GRRS ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 . GLY . 50952 1 2 . SER . 50952 1 3 . GLY . 50952 1 4 . GLN . 50952 1 5 . GLY . 50952 1 6 . GLY . 50952 1 7 . GLY . 50952 1 8 . THR . 50952 1 9 . HIS . 50952 1 10 . ASN . 50952 1 11 . GLN . 50952 1 12 . TRP . 50952 1 13 . ASN . 50952 1 14 . LYS . 50952 1 15 . PRO . 50952 1 16 . SER . 50952 1 17 . LYS . 50952 1 18 . PRO . 50952 1 19 . LYS . 50952 1 20 . THR . 50952 1 21 . ASN . 50952 1 22 . LEU . 50952 1 23 . LYS . 50952 1 24 . HIS . 50952 1 25 . VAL . 50952 1 26 . ALA . 50952 1 27 . GLY . 50952 1 28 . ALA . 50952 1 29 . ALA . 50952 1 30 . ALA . 50952 1 31 . ALA . 50952 1 32 . GLY . 50952 1 33 . ALA . 50952 1 34 . VAL . 50952 1 35 . VAL . 50952 1 36 . GLY . 50952 1 37 . GLY . 50952 1 38 . LEU . 50952 1 39 . GLY . 50952 1 40 . GLY . 50952 1 41 . TYR . 50952 1 42 . MET . 50952 1 43 . LEU . 50952 1 44 . GLY . 50952 1 45 . SER . 50952 1 46 . ALA . 50952 1 47 . MET . 50952 1 48 . SER . 50952 1 49 . ARG . 50952 1 50 . PRO . 50952 1 51 . MET . 50952 1 52 . ILE . 50952 1 53 . HIS . 50952 1 54 . PHE . 50952 1 55 . GLY . 50952 1 56 . ASN . 50952 1 57 . ASP . 50952 1 58 . TRP . 50952 1 59 . GLU . 50952 1 60 . ASP . 50952 1 61 . ARG . 50952 1 62 . TYR . 50952 1 63 . TYR . 50952 1 64 . ARG . 50952 1 65 . GLU . 50952 1 66 . ASN . 50952 1 67 . MET . 50952 1 68 . TYR . 50952 1 69 . ARG . 50952 1 70 . TYR . 50952 1 71 . PRO . 50952 1 72 . ASN . 50952 1 73 . GLN . 50952 1 74 . VAL . 50952 1 75 . TYR . 50952 1 76 . TYR . 50952 1 77 . ARG . 50952 1 78 . PRO . 50952 1 79 . VAL . 50952 1 80 . ASP . 50952 1 81 . GLN . 50952 1 82 . TYR . 50952 1 83 . SER . 50952 1 84 . ASN . 50952 1 85 . GLN . 50952 1 86 . ASN . 50952 1 87 . ASN . 50952 1 88 . PHE . 50952 1 89 . VAL . 50952 1 90 . HIS . 50952 1 91 . ASP . 50952 1 92 . CYS . 50952 1 93 . VAL . 50952 1 94 . ASN . 50952 1 95 . ILE . 50952 1 96 . THR . 50952 1 97 . ILE . 50952 1 98 . LYS . 50952 1 99 . GLN . 50952 1 100 . HIS . 50952 1 101 . THR . 50952 1 102 . VAL . 50952 1 103 . THR . 50952 1 104 . THR . 50952 1 105 . THR . 50952 1 106 . THR . 50952 1 107 . LYS . 50952 1 108 . GLY . 50952 1 109 . GLU . 50952 1 110 . ASN . 50952 1 111 . PHE . 50952 1 112 . THR . 50952 1 113 . GLU . 50952 1 114 . THR . 50952 1 115 . ASP . 50952 1 116 . VAL . 50952 1 117 . LYS . 50952 1 118 . MET . 50952 1 119 . MET . 50952 1 120 . GLU . 50952 1 121 . ARG . 50952 1 122 . VAL . 50952 1 123 . VAL . 50952 1 124 . GLU . 50952 1 125 . GLN . 50952 1 126 . MET . 50952 1 127 . CYS . 50952 1 128 . VAL . 50952 1 129 . THR . 50952 1 130 . GLN . 50952 1 131 . TYR . 50952 1 132 . GLN . 50952 1 133 . LYS . 50952 1 134 . GLU . 50952 1 135 . SER . 50952 1 136 . GLN . 50952 1 137 . ALA . 50952 1 138 . TYR . 50952 1 139 . TYR . 50952 1 140 . ASP . 50952 1 141 . GLY . 50952 1 142 . ARG . 50952 1 143 . ARG . 50952 1 144 . SER . 50952 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 50952 1 . SER 2 2 50952 1 . GLY 3 3 50952 1 . GLN 4 4 50952 1 . GLY 5 5 50952 1 . GLY 6 6 50952 1 . GLY 7 7 50952 1 . THR 8 8 50952 1 . HIS 9 9 50952 1 . ASN 10 10 50952 1 . GLN 11 11 50952 1 . TRP 12 12 50952 1 . ASN 13 13 50952 1 . LYS 14 14 50952 1 . PRO 15 15 50952 1 . SER 16 16 50952 1 . LYS 17 17 50952 1 . PRO 18 18 50952 1 . LYS 19 19 50952 1 . THR 20 20 50952 1 . ASN 21 21 50952 1 . LEU 22 22 50952 1 . LYS 23 23 50952 1 . HIS 24 24 50952 1 . VAL 25 25 50952 1 . ALA 26 26 50952 1 . GLY 27 27 50952 1 . ALA 28 28 50952 1 . ALA 29 29 50952 1 . ALA 30 30 50952 1 . ALA 31 31 50952 1 . GLY 32 32 50952 1 . ALA 33 33 50952 1 . VAL 34 34 50952 1 . VAL 35 35 50952 1 . GLY 36 36 50952 1 . GLY 37 37 50952 1 . LEU 38 38 50952 1 . GLY 39 39 50952 1 . GLY 40 40 50952 1 . TYR 41 41 50952 1 . MET 42 42 50952 1 . LEU 43 43 50952 1 . GLY 44 44 50952 1 . SER 45 45 50952 1 . ALA 46 46 50952 1 . MET 47 47 50952 1 . SER 48 48 50952 1 . ARG 49 49 50952 1 . PRO 50 50 50952 1 . MET 51 51 50952 1 . ILE 52 52 50952 1 . HIS 53 53 50952 1 . PHE 54 54 50952 1 . GLY 55 55 50952 1 . ASN 56 56 50952 1 . ASP 57 57 50952 1 . TRP 58 58 50952 1 . GLU 59 59 50952 1 . ASP 60 60 50952 1 . ARG 61 61 50952 1 . TYR 62 62 50952 1 . TYR 63 63 50952 1 . ARG 64 64 50952 1 . GLU 65 65 50952 1 . ASN 66 66 50952 1 . MET 67 67 50952 1 . TYR 68 68 50952 1 . ARG 69 69 50952 1 . TYR 70 70 50952 1 . PRO 71 71 50952 1 . ASN 72 72 50952 1 . GLN 73 73 50952 1 . VAL 74 74 50952 1 . TYR 75 75 50952 1 . TYR 76 76 50952 1 . ARG 77 77 50952 1 . PRO 78 78 50952 1 . VAL 79 79 50952 1 . ASP 80 80 50952 1 . GLN 81 81 50952 1 . TYR 82 82 50952 1 . SER 83 83 50952 1 . ASN 84 84 50952 1 . GLN 85 85 50952 1 . ASN 86 86 50952 1 . ASN 87 87 50952 1 . PHE 88 88 50952 1 . VAL 89 89 50952 1 . HIS 90 90 50952 1 . ASP 91 91 50952 1 . CYS 92 92 50952 1 . VAL 93 93 50952 1 . ASN 94 94 50952 1 . ILE 95 95 50952 1 . THR 96 96 50952 1 . ILE 97 97 50952 1 . LYS 98 98 50952 1 . GLN 99 99 50952 1 . HIS 100 100 50952 1 . THR 101 101 50952 1 . VAL 102 102 50952 1 . THR 103 103 50952 1 . THR 104 104 50952 1 . THR 105 105 50952 1 . THR 106 106 50952 1 . LYS 107 107 50952 1 . GLY 108 108 50952 1 . GLU 109 109 50952 1 . ASN 110 110 50952 1 . PHE 111 111 50952 1 . THR 112 112 50952 1 . GLU 113 113 50952 1 . THR 114 114 50952 1 . ASP 115 115 50952 1 . VAL 116 116 50952 1 . LYS 117 117 50952 1 . MET 118 118 50952 1 . MET 119 119 50952 1 . GLU 120 120 50952 1 . ARG 121 121 50952 1 . VAL 122 122 50952 1 . VAL 123 123 50952 1 . GLU 124 124 50952 1 . GLN 125 125 50952 1 . MET 126 126 50952 1 . CYS 127 127 50952 1 . VAL 128 128 50952 1 . THR 129 129 50952 1 . GLN 130 130 50952 1 . TYR 131 131 50952 1 . GLN 132 132 50952 1 . LYS 133 133 50952 1 . GLU 134 134 50952 1 . SER 135 135 50952 1 . GLN 136 136 50952 1 . ALA 137 137 50952 1 . TYR 138 138 50952 1 . TYR 139 139 50952 1 . ASP 140 140 50952 1 . GLY 141 141 50952 1 . ARG 142 142 50952 1 . ARG 143 143 50952 1 . SER 144 144 50952 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 50952 _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 . . . . . . . . . . . PRIO_MOUSE . 50952 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 50952 _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 . . pRSETB . . . 50952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50952 _Sample.ID 1 _Sample.Name MoPrP(89-230)_U3G1 _Sample.Type 'gel solution' _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 MoPrP(89-230) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 20 . . mg 5 . . . 50952 1 2 urea 'natural abundance' . . . . . . 3 . . M 0.005 . . . 50952 1 3 'Guanidinium chloride' 'natural abundance' . . . . . . 1 . . M 0.005 . . . 50952 1 4 NaCl 'natural abundance' . . . . . . 137 . . mM 1 . . . 50952 1 5 KCl 'natural abundance' . . . . . . 2.7 . . mM 0.1 . . . 50952 1 6 'sodium phosphate' 'natural abundance' . . . . . . 11.8 . . mM 0.1 . . . 50952 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 50952 _Sample_condition_list.ID 1 _Sample_condition_list.Name U3G1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 50952 1 pressure 1 . atm 50952 1 temperature 273 . K 50952 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50952 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID assignment . 50952 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50952 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Spectra acquisition' . 50952 2 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 50952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50952 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 2 '3D NCOCX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 3 CANCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 4 CONCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 5 DARR no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 6 '2D ChhC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 7 '2D NhhC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 8 '2D 13C-detected NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 1 9 '2D 13C-detected NCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50952 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 50952 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name U3G1 _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 adamantane 'methyl carbons' . . . . ppm 38.5 external direct 1 . . . . . 50952 1 N 15 adamantane 'methyl carbons' . . . . ppm 38.5 external direct . . . . . . 50952 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 50952 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name U3G1 _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 '3D NCACX' . . . 50952 1 2 '3D NCOCX' . . . 50952 1 3 CANCO . . . 50952 1 4 CONCA . . . 50952 1 5 DARR . . . 50952 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 . . 50952 1 2 $software_2 . . 50952 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 78 78 PRO C C 13 174.9 0.3 . 1 . . . . . 78 PRO C . 50952 1 2 . 1 . 1 78 78 PRO CA C 13 61.2 0.3 . 1 . . . . . 78 PRO CA . 50952 1 3 . 1 . 1 78 78 PRO CB C 13 32.131 0.3 . 1 . . . . . 78 PRO CB . 50952 1 4 . 1 . 1 78 78 PRO CG C 13 26.918 0.3 . 1 . . . . . 78 PRO CG . 50952 1 5 . 1 . 1 78 78 PRO CD C 13 49.535 0.3 . 1 . . . . . 78 PRO CD . 50952 1 6 . 1 . 1 78 78 PRO N N 15 132.113 0.3 . 1 . . . . . 78 PRO N . 50952 1 7 . 1 . 1 79 79 VAL C C 13 173.42 0.3 . 1 . . . . . 79 VAL C . 50952 1 8 . 1 . 1 79 79 VAL CA C 13 61.12 0.3 . 1 . . . . . 79 VAL CA . 50952 1 9 . 1 . 1 79 79 VAL CB C 13 34.515 0.3 . 1 . . . . . 79 VAL CB . 50952 1 10 . 1 . 1 79 79 VAL CG1 C 13 19.303 0.3 . 1 . . . . . 79 VAL CG1 . 50952 1 11 . 1 . 1 79 79 VAL CG2 C 13 20.569 0.3 . 1 . . . . . 79 VAL CG2 . 50952 1 12 . 1 . 1 79 79 VAL N N 15 118.23 0.3 . 1 . . . . . 79 VAL N . 50952 1 13 . 1 . 1 80 80 ASP C C 13 173.61 0.3 . 1 . . . . . 80 ASP C . 50952 1 14 . 1 . 1 80 80 ASP CA C 13 52.403 0.3 . 1 . . . . . 80 ASP CA . 50952 1 15 . 1 . 1 80 80 ASP CB C 13 42.862 0.3 . 1 . . . . . 80 ASP CB . 50952 1 16 . 1 . 1 80 80 ASP CG C 13 179.987 0.3 . 1 . . . . . 80 ASP CG . 50952 1 17 . 1 . 1 80 80 ASP N N 15 126.12 0.3 . 1 . . . . . 80 ASP N . 50952 1 18 . 1 . 1 81 81 GLN C C 13 174.16 0.3 . 1 . . . . . 81 GLN C . 50952 1 19 . 1 . 1 81 81 GLN CA C 13 54.743 0.3 . 1 . . . . . 81 GLN CA . 50952 1 20 . 1 . 1 81 81 GLN CB C 13 32.402 0.3 . 1 . . . . . 81 GLN CB . 50952 1 21 . 1 . 1 81 81 GLN CG C 13 33.389 0.3 . 1 . . . . . 81 GLN CG . 50952 1 22 . 1 . 1 81 81 GLN CD C 13 177.873 0.3 . 1 . . . . . 81 GLN CD . 50952 1 23 . 1 . 1 81 81 GLN N N 15 118.434 0.3 . 1 . . . . . 81 GLN N . 50952 1 24 . 1 . 1 81 81 GLN NE2 N 15 104.2 0.3 . 1 . . . . . 81 GLN NE2 . 50952 1 25 . 1 . 1 82 82 TYR C C 13 173.51 0.3 . 1 . . . . . 82 TYR C . 50952 1 26 . 1 . 1 82 82 TYR CA C 13 56.437 0.3 . 1 . . . . . 82 TYR CA . 50952 1 27 . 1 . 1 82 82 TYR CB C 13 41.196 0.3 . 1 . . . . . 82 TYR CB . 50952 1 28 . 1 . 1 82 82 TYR CG C 13 128.421 0.3 . 1 . . . . . 82 TYR CG . 50952 1 29 . 1 . 1 82 82 TYR CD1 C 13 132.792 0.3 . 1 . . . . . 82 TYR CD1 . 50952 1 30 . 1 . 1 82 82 TYR CE1 C 13 117.568 0.3 . 1 . . . . . 82 TYR CE1 . 50952 1 31 . 1 . 1 82 82 TYR N N 15 124.919 0.3 . 1 . . . . . 82 TYR N . 50952 1 32 . 1 . 1 83 83 SER C C 13 171.35 0.3 . 1 . . . . . 83 SER C . 50952 1 33 . 1 . 1 83 83 SER CA C 13 56.272 0.3 . 1 . . . . . 83 SER CA . 50952 1 34 . 1 . 1 83 83 SER CB C 13 64.336 0.3 . 1 . . . . . 83 SER CB . 50952 1 35 . 1 . 1 83 83 SER N N 15 123.683 0.3 . 1 . . . . . 83 SER N . 50952 1 36 . 1 . 1 84 84 ASN C C 13 175.8 0.3 . 1 . . . . . 84 ASN C . 50952 1 37 . 1 . 1 84 84 ASN CA C 13 52.607 0.3 . 1 . . . . . 84 ASN CA . 50952 1 38 . 1 . 1 84 84 ASN CB C 13 42.581 0.3 . 1 . . . . . 84 ASN CB . 50952 1 39 . 1 . 1 84 84 ASN CG C 13 175.822 0.3 . 1 . . . . . 84 ASN CG . 50952 1 40 . 1 . 1 84 84 ASN N N 15 118.884 0.3 . 1 . . . . . 84 ASN N . 50952 1 41 . 1 . 1 84 84 ASN ND2 N 15 110.25 0.3 . 1 . . . . . 84 ASN ND2 . 50952 1 42 . 1 . 1 85 85 GLN C C 13 172.87 0.3 . 1 . . . . . 85 GLN C . 50952 1 43 . 1 . 1 85 85 GLN CA C 13 54.848 0.3 . 1 . . . . . 85 GLN CA . 50952 1 44 . 1 . 1 85 85 GLN CB C 13 32.827 0.3 . 1 . . . . . 85 GLN CB . 50952 1 45 . 1 . 1 85 85 GLN CG C 13 33.847 0.3 . 1 . . . . . 85 GLN CG . 50952 1 46 . 1 . 1 85 85 GLN CD C 13 178.294 0.3 . 1 . . . . . 85 GLN CD . 50952 1 47 . 1 . 1 85 85 GLN N N 15 124.563 0.3 . 1 . . . . . 85 GLN N . 50952 1 48 . 1 . 1 85 85 GLN NE2 N 15 111.633 0.3 . 1 . . . . . 85 GLN NE2 . 50952 1 49 . 1 . 1 86 86 ASN C C 13 171.76 0.3 . 1 . . . . . 86 ASN C . 50952 1 50 . 1 . 1 86 86 ASN CA C 13 52.21 0.3 . 1 . . . . . 86 ASN CA . 50952 1 51 . 1 . 1 86 86 ASN CB C 13 40.856 0.3 . 1 . . . . . 86 ASN CB . 50952 1 52 . 1 . 1 86 86 ASN CG C 13 173.551 0.3 . 1 . . . . . 86 ASN CG . 50952 1 53 . 1 . 1 86 86 ASN N N 15 123.108 0.3 . 1 . . . . . 86 ASN N . 50952 1 54 . 1 . 1 86 86 ASN ND2 N 15 113 0.3 . 1 . . . . . 86 ASN ND2 . 50952 1 55 . 1 . 1 87 87 ASN C C 13 173.05 0.3 . 1 . . . . . 87 ASN C . 50952 1 56 . 1 . 1 87 87 ASN CA C 13 51.058 0.3 . 1 . . . . . 87 ASN CA . 50952 1 57 . 1 . 1 87 87 ASN CB C 13 38.316 0.3 . 1 . . . . . 87 ASN CB . 50952 1 58 . 1 . 1 87 87 ASN CG C 13 174.684 0.3 . 1 . . . . . 87 ASN CG . 50952 1 59 . 1 . 1 87 87 ASN N N 15 124.118 0.3 . 1 . . . . . 87 ASN N . 50952 1 60 . 1 . 1 87 87 ASN ND2 N 15 113.477 0.3 . 1 . . . . . 87 ASN ND2 . 50952 1 61 . 1 . 1 88 88 PHE C C 13 171.99 0.3 . 1 . . . . . 88 PHE C . 50952 1 62 . 1 . 1 88 88 PHE CA C 13 54.869 0.3 . 1 . . . . . 88 PHE CA . 50952 1 63 . 1 . 1 88 88 PHE CB C 13 38.892 0.3 . 1 . . . . . 88 PHE CB . 50952 1 64 . 1 . 1 88 88 PHE CG C 13 137.464 0.3 . 1 . . . . . 88 PHE CG . 50952 1 65 . 1 . 1 88 88 PHE N N 15 111.37 0.3 . 1 . . . . . 88 PHE N . 50952 1 66 . 1 . 1 89 89 VAL C C 13 175.69 0.3 . 1 . . . . . 89 VAL C . 50952 1 67 . 1 . 1 89 89 VAL CA C 13 59.261 0.3 . 1 . . . . . 89 VAL CA . 50952 1 68 . 1 . 1 89 89 VAL CB C 13 36.251 0.3 . 1 . . . . . 89 VAL CB . 50952 1 69 . 1 . 1 89 89 VAL CG1 C 13 20.77 0.3 . 1 . . . . . 89 VAL CG1 . 50952 1 70 . 1 . 1 89 89 VAL CG2 C 13 20.77 0.3 . 1 . . . . . 89 VAL CG2 . 50952 1 71 . 1 . 1 89 89 VAL N N 15 114.648 0.3 . 1 . . . . . 89 VAL N . 50952 1 72 . 1 . 1 90 90 HIS C C 13 173.1 0.3 . 1 . . . . . 90 HIS C . 50952 1 73 . 1 . 1 90 90 HIS CA C 13 53.771 0.3 . 1 . . . . . 90 HIS CA . 50952 1 74 . 1 . 1 90 90 HIS CB C 13 30.198 0.3 . 1 . . . . . 90 HIS CB . 50952 1 75 . 1 . 1 90 90 HIS CG C 13 129.175 0.3 . 1 . . . . . 90 HIS CG . 50952 1 76 . 1 . 1 90 90 HIS CD2 C 13 121.796 0.3 . 1 . . . . . 90 HIS CD2 . 50952 1 77 . 1 . 1 90 90 HIS N N 15 114.276 0.3 . 1 . . . . . 90 HIS N . 50952 1 78 . 1 . 1 91 91 ASP C C 13 176.98 0.3 . 1 . . . . . 91 ASP C . 50952 1 79 . 1 . 1 91 91 ASP CA C 13 55.312 0.3 . 1 . . . . . 91 ASP CA . 50952 1 80 . 1 . 1 91 91 ASP CB C 13 39.193 0.3 . 1 . . . . . 91 ASP CB . 50952 1 81 . 1 . 1 91 91 ASP CG C 13 181.841 0.3 . 1 . . . . . 91 ASP CG . 50952 1 82 . 1 . 1 91 91 ASP N N 15 121.976 0.3 . 1 . . . . . 91 ASP N . 50952 1 83 . 1 . 1 92 92 CYS C C 13 173.61 0.3 . 1 . . . . . 92 CYS C . 50952 1 84 . 1 . 1 92 92 CYS CA C 13 61.837 0.3 . 1 . . . . . 92 CYS CA . 50952 1 85 . 1 . 1 92 92 CYS CB C 13 48.436 0.3 . 1 . . . . . 92 CYS CB . 50952 1 86 . 1 . 1 92 92 CYS N N 15 113.601 0.3 . 1 . . . . . 92 CYS N . 50952 1 87 . 1 . 1 93 93 VAL C C 13 173.79 0.3 . 1 . . . . . 93 VAL C . 50952 1 88 . 1 . 1 93 93 VAL CA C 13 60.106 0.3 . 1 . . . . . 93 VAL CA . 50952 1 89 . 1 . 1 93 93 VAL CB C 13 37.012 0.3 . 1 . . . . . 93 VAL CB . 50952 1 90 . 1 . 1 93 93 VAL CG1 C 13 21.488 0.3 . 1 . . . . . 93 VAL CG1 . 50952 1 91 . 1 . 1 93 93 VAL CG2 C 13 24.038 0.3 . 1 . . . . . 93 VAL CG2 . 50952 1 92 . 1 . 1 93 93 VAL N N 15 116.31 0.3 . 1 . . . . . 93 VAL N . 50952 1 93 . 1 . 1 94 94 ASN C C 13 173.94 0.3 . 1 . . . . . 94 ASN C . 50952 1 94 . 1 . 1 94 94 ASN CA C 13 52.32 0.3 . 1 . . . . . 94 ASN CA . 50952 1 95 . 1 . 1 94 94 ASN CB C 13 40.87 0.3 . 1 . . . . . 94 ASN CB . 50952 1 96 . 1 . 1 94 94 ASN CG C 13 176.697 0.3 . 1 . . . . . 94 ASN CG . 50952 1 97 . 1 . 1 94 94 ASN N N 15 122.203 0.3 . 1 . . . . . 94 ASN N . 50952 1 98 . 1 . 1 94 94 ASN ND2 N 15 112.945 0.3 . 1 . . . . . 94 ASN ND2 . 50952 1 99 . 1 . 1 95 95 ILE CA C 13 60.004 0.3 . 1 . . . . . 95 ILE CA . 50952 1 100 . 1 . 1 95 95 ILE CB C 13 41.46 0.3 . 1 . . . . . 95 ILE CB . 50952 1 101 . 1 . 1 95 95 ILE CG1 C 13 27.417 0.3 . 1 . . . . . 95 ILE CG1 . 50952 1 102 . 1 . 1 95 95 ILE CG2 C 13 16.769 0.3 . 1 . . . . . 95 ILE CG2 . 50952 1 103 . 1 . 1 95 95 ILE CD1 C 13 13.428 0.3 . 1 . . . . . 95 ILE CD1 . 50952 1 104 . 1 . 1 95 95 ILE N N 15 119.706 0.3 . 1 . . . . . 95 ILE N . 50952 1 105 . 1 . 1 96 96 THR C C 13 173.87 0.3 . 1 . . . . . 96 THR C . 50952 1 106 . 1 . 1 96 96 THR CA C 13 61.207 0.3 . 1 . . . . . 96 THR CA . 50952 1 107 . 1 . 1 96 96 THR CB C 13 70.677 0.3 . 1 . . . . . 96 THR CB . 50952 1 108 . 1 . 1 96 96 THR CG2 C 13 20.487 0.3 . 1 . . . . . 96 THR CG2 . 50952 1 109 . 1 . 1 97 97 ILE CA C 13 60.03 0.3 . 1 . . . . . 97 ILE CA . 50952 1 110 . 1 . 1 97 97 ILE CB C 13 40.449 0.3 . 1 . . . . . 97 ILE CB . 50952 1 111 . 1 . 1 97 97 ILE CG1 C 13 26.957 0.3 . 1 . . . . . 97 ILE CG1 . 50952 1 112 . 1 . 1 97 97 ILE CG2 C 13 15.72 0.3 . 1 . . . . . 97 ILE CG2 . 50952 1 113 . 1 . 1 97 97 ILE CD1 C 13 13.459 0.3 . 1 . . . . . 97 ILE CD1 . 50952 1 114 . 1 . 1 97 97 ILE N N 15 124.514 0.3 . 1 . . . . . 97 ILE N . 50952 1 115 . 1 . 1 99 99 GLN CA C 13 54.115 0.3 . 1 . . . . . 99 GLN CA . 50952 1 116 . 1 . 1 99 99 GLN CB C 13 30.368 0.3 . 1 . . . . . 99 GLN CB . 50952 1 117 . 1 . 1 100 100 HIS CA C 13 53.177 0.3 . 1 . . . . . 100 HIS CA . 50952 1 118 . 1 . 1 100 100 HIS CB C 13 32.237 0.3 . 1 . . . . . 100 HIS CB . 50952 1 119 . 1 . 1 101 101 THR CA C 13 60.467 0.3 . 1 . . . . . 101 THR CA . 50952 1 120 . 1 . 1 101 101 THR CB C 13 68.567 0.3 . 1 . . . . . 101 THR CB . 50952 1 121 . 1 . 1 101 101 THR CG2 C 13 20.557 0.3 . 1 . . . . . 101 THR CG2 . 50952 1 122 . 1 . 1 102 102 VAL CA C 13 59.166 0.3 . 1 . . . . . 102 VAL CA . 50952 1 123 . 1 . 1 102 102 VAL CB C 13 34.322 0.3 . 1 . . . . . 102 VAL CB . 50952 1 124 . 1 . 1 102 102 VAL CG1 C 13 20.143 0.3 . 1 . . . . . 102 VAL CG1 . 50952 1 125 . 1 . 1 102 102 VAL CG2 C 13 21.868 0.3 . 1 . . . . . 102 VAL CG2 . 50952 1 126 . 1 . 1 102 102 VAL N N 15 120.334 0.3 . 1 . . . . . 102 VAL N . 50952 1 127 . 1 . 1 103 103 THR CA C 13 61.207 0.3 . 1 . . . . . 103 THR CA . 50952 1 128 . 1 . 1 103 103 THR CB C 13 70.607 0.3 . 1 . . . . . 103 THR CB . 50952 1 129 . 1 . 1 104 104 THR CA C 13 61.207 0.3 . 1 . . . . . 104 THR CA . 50952 1 130 . 1 . 1 104 104 THR CB C 13 70.607 0.3 . 1 . . . . . 104 THR CB . 50952 1 131 . 1 . 1 105 105 THR CA C 13 61.207 0.3 . 1 . . . . . 105 THR CA . 50952 1 132 . 1 . 1 105 105 THR CB C 13 70.607 0.3 . 1 . . . . . 105 THR CB . 50952 1 133 . 1 . 1 106 106 THR CA C 13 61.207 0.3 . 1 . . . . . 106 THR CA . 50952 1 134 . 1 . 1 106 106 THR CB C 13 70.607 0.3 . 1 . . . . . 106 THR CB . 50952 1 135 . 1 . 1 107 107 LYS C C 13 173.81 0.3 . 1 . . . . . 107 LYS C . 50952 1 136 . 1 . 1 107 107 LYS CA C 13 53.767 0.3 . 1 . . . . . 107 LYS CA . 50952 1 137 . 1 . 1 107 107 LYS CB C 13 33.797 0.3 . 1 . . . . . 107 LYS CB . 50952 1 138 . 1 . 1 108 108 GLY C C 13 174.12 0.3 . 1 . . . . . 108 GLY C . 50952 1 139 . 1 . 1 108 108 GLY CA C 13 43.807 0.3 . 1 . . . . . 108 GLY CA . 50952 1 140 . 1 . 1 108 108 GLY N N 15 110.017 0.3 . 1 . . . . . 108 GLY N . 50952 1 141 . 1 . 1 109 109 GLU C C 13 174.47 0.3 . 1 . . . . . 109 GLU C . 50952 1 142 . 1 . 1 109 109 GLU CA C 13 56.62 0.3 . 1 . . . . . 109 GLU CA . 50952 1 143 . 1 . 1 109 109 GLU CB C 13 27.058 0.3 . 1 . . . . . 109 GLU CB . 50952 1 144 . 1 . 1 109 109 GLU CG C 13 36.953 0.3 . 1 . . . . . 109 GLU CG . 50952 1 145 . 1 . 1 109 109 GLU CD C 13 182.285 0.3 . 1 . . . . . 109 GLU CD . 50952 1 146 . 1 . 1 109 109 GLU N N 15 121.656 0.3 . 1 . . . . . 109 GLU N . 50952 1 147 . 1 . 1 110 110 ASN C C 13 174.07 0.3 . 1 . . . . . 110 ASN C . 50952 1 148 . 1 . 1 110 110 ASN CA C 13 54.132 0.3 . 1 . . . . . 110 ASN CA . 50952 1 149 . 1 . 1 110 110 ASN CB C 13 37.496 0.3 . 1 . . . . . 110 ASN CB . 50952 1 150 . 1 . 1 110 110 ASN CG C 13 175.592 0.3 . 1 . . . . . 110 ASN CG . 50952 1 151 . 1 . 1 110 110 ASN N N 15 119.683 0.3 . 1 . . . . . 110 ASN N . 50952 1 152 . 1 . 1 110 110 ASN ND2 N 15 111.885 0.3 . 1 . . . . . 110 ASN ND2 . 50952 1 153 . 1 . 1 111 111 PHE CA C 13 56.352 0.3 . 1 . . . . . 111 PHE CA . 50952 1 154 . 1 . 1 111 111 PHE CB C 13 40.908 0.3 . 1 . . . . . 111 PHE CB . 50952 1 155 . 1 . 1 111 111 PHE CG C 13 138.175 0.3 . 1 . . . . . 111 PHE CG . 50952 1 156 . 1 . 1 111 111 PHE CD1 C 13 130.057 0.3 . 1 . . . . . 111 PHE CD1 . 50952 1 157 . 1 . 1 111 111 PHE N N 15 121.273 0.3 . 1 . . . . . 111 PHE N . 50952 1 158 . 1 . 1 112 112 THR CA C 13 61.207 0.3 . 1 . . . . . 112 THR CA . 50952 1 159 . 1 . 1 112 112 THR CB C 13 70.607 0.3 . 1 . . . . . 112 THR CB . 50952 1 160 . 1 . 1 114 114 THR CA C 13 60.887 0.3 . 1 . . . . . 114 THR CA . 50952 1 161 . 1 . 1 114 114 THR CB C 13 70.157 0.3 . 1 . . . . . 114 THR CB . 50952 1 162 . 1 . 1 114 114 THR CG2 C 13 20.567 0.3 . 1 . . . . . 114 THR CG2 . 50952 1 163 . 1 . 1 115 115 ASP C C 13 173.51 0.3 . 1 . . . . . 115 ASP C . 50952 1 164 . 1 . 1 115 115 ASP CA C 13 52.542 0.3 . 1 . . . . . 115 ASP CA . 50952 1 165 . 1 . 1 115 115 ASP CB C 13 43.927 0.3 . 1 . . . . . 115 ASP CB . 50952 1 166 . 1 . 1 115 115 ASP CG C 13 177.508 0.3 . 1 . . . . . 115 ASP CG . 50952 1 167 . 1 . 1 115 115 ASP N N 15 123.756 0.3 . 1 . . . . . 115 ASP N . 50952 1 168 . 1 . 1 116 116 VAL C C 13 176.57 0.3 . 1 . . . . . 116 VAL C . 50952 1 169 . 1 . 1 116 116 VAL CA C 13 60.801 0.3 . 1 . . . . . 116 VAL CA . 50952 1 170 . 1 . 1 116 116 VAL CB C 13 31.829 0.3 . 1 . . . . . 116 VAL CB . 50952 1 171 . 1 . 1 116 116 VAL CG1 C 13 18.529 0.3 . 1 . . . . . 116 VAL CG1 . 50952 1 172 . 1 . 1 116 116 VAL CG2 C 13 20.825 0.3 . 1 . . . . . 116 VAL CG2 . 50952 1 173 . 1 . 1 116 116 VAL N N 15 121.872 0.3 . 1 . . . . . 116 VAL N . 50952 1 174 . 1 . 1 117 117 LYS C C 13 174.56 0.3 . 1 . . . . . 117 LYS C . 50952 1 175 . 1 . 1 117 117 LYS CA C 13 52.759 0.3 . 1 . . . . . 117 LYS CA . 50952 1 176 . 1 . 1 117 117 LYS CB C 13 33.13 0.3 . 1 . . . . . 117 LYS CB . 50952 1 177 . 1 . 1 117 117 LYS CG C 13 26.732 0.3 . 1 . . . . . 117 LYS CG . 50952 1 178 . 1 . 1 117 117 LYS N N 15 119.016 0.3 . 1 . . . . . 117 LYS N . 50952 1 179 . 1 . 1 118 118 MET C C 13 174.85 0.3 . 1 . . . . . 118 MET C . 50952 1 180 . 1 . 1 118 118 MET CA C 13 57.238 0.3 . 1 . . . . . 118 MET CA . 50952 1 181 . 1 . 1 118 118 MET CB C 13 31.974 0.3 . 1 . . . . . 118 MET CB . 50952 1 182 . 1 . 1 118 118 MET CE C 13 21.722 0.3 . 1 . . . . . 118 MET CE . 50952 1 183 . 1 . 1 118 118 MET N N 15 120.341 0.3 . 1 . . . . . 118 MET N . 50952 1 184 . 1 . 1 119 119 MET C C 13 172.59 0.3 . 1 . . . . . 119 MET C . 50952 1 185 . 1 . 1 119 119 MET CA C 13 54.127 0.3 . 1 . . . . . 119 MET CA . 50952 1 186 . 1 . 1 119 119 MET CB C 13 36.41 0.3 . 1 . . . . . 119 MET CB . 50952 1 187 . 1 . 1 119 119 MET CG C 13 32.796 0.3 . 1 . . . . . 119 MET CG . 50952 1 188 . 1 . 1 119 119 MET CE C 13 17.487 0.3 . 1 . . . . . 119 MET CE . 50952 1 189 . 1 . 1 119 119 MET N N 15 114.572 0.3 . 1 . . . . . 119 MET N . 50952 1 190 . 1 . 1 120 120 GLU CA C 13 52.951 0.3 . 1 . . . . . 120 GLU CA . 50952 1 191 . 1 . 1 120 120 GLU CB C 13 33.379 0.3 . 1 . . . . . 120 GLU CB . 50952 1 192 . 1 . 1 120 120 GLU CG C 13 35.757 0.3 . 1 . . . . . 120 GLU CG . 50952 1 193 . 1 . 1 120 120 GLU CD C 13 182.048 0.3 . 1 . . . . . 120 GLU CD . 50952 1 194 . 1 . 1 120 120 GLU N N 15 121.559 0.3 . 1 . . . . . 120 GLU N . 50952 1 195 . 1 . 1 121 121 ARG CA C 13 56.087 0.3 . 1 . . . . . 121 ARG CA . 50952 1 196 . 1 . 1 121 121 ARG CB C 13 27.427 0.3 . 1 . . . . . 121 ARG CB . 50952 1 197 . 1 . 1 122 122 VAL C C 13 175.87 0.3 . 1 . . . . . 122 VAL C . 50952 1 198 . 1 . 1 122 122 VAL CA C 13 68.826 0.3 . 1 . . . . . 122 VAL CA . 50952 1 199 . 1 . 1 122 122 VAL CB C 13 29.04 0.3 . 1 . . . . . 122 VAL CB . 50952 1 200 . 1 . 1 122 122 VAL CG1 C 13 23.585 0.3 . 1 . . . . . 122 VAL CG1 . 50952 1 201 . 1 . 1 122 122 VAL CG2 C 13 19.602 0.3 . 1 . . . . . 122 VAL CG2 . 50952 1 202 . 1 . 1 122 122 VAL N N 15 115.953 0.3 . 1 . . . . . 122 VAL N . 50952 1 203 . 1 . 1 123 123 VAL C C 13 175.92 0.3 . 1 . . . . . 123 VAL C . 50952 1 204 . 1 . 1 123 123 VAL CA C 13 59.81 0.3 . 1 . . . . . 123 VAL CA . 50952 1 205 . 1 . 1 123 123 VAL CB C 13 35.96 0.3 . 1 . . . . . 123 VAL CB . 50952 1 206 . 1 . 1 123 123 VAL CG1 C 13 20.145 0.3 . 1 . . . . . 123 VAL CG1 . 50952 1 207 . 1 . 1 123 123 VAL CG2 C 13 20.145 0.3 . 1 . . . . . 123 VAL CG2 . 50952 1 208 . 1 . 1 123 123 VAL N N 15 111.423 0.3 . 1 . . . . . 123 VAL N . 50952 1 209 . 1 . 1 124 124 GLU C C 13 174.91 0.3 . 1 . . . . . 124 GLU C . 50952 1 210 . 1 . 1 124 124 GLU CA C 13 58.99 0.3 . 1 . . . . . 124 GLU CA . 50952 1 211 . 1 . 1 124 124 GLU CB C 13 27.476 0.3 . 1 . . . . . 124 GLU CB . 50952 1 212 . 1 . 1 124 124 GLU CG C 13 35.505 0.3 . 1 . . . . . 124 GLU CG . 50952 1 213 . 1 . 1 124 124 GLU CD C 13 180.904 0.3 . 1 . . . . . 124 GLU CD . 50952 1 214 . 1 . 1 124 124 GLU N N 15 121.35 0.3 . 1 . . . . . 124 GLU N . 50952 1 215 . 1 . 1 125 125 GLN C C 13 173.88 0.3 . 1 . . . . . 125 GLN C . 50952 1 216 . 1 . 1 125 125 GLN CA C 13 54.25 0.3 . 1 . . . . . 125 GLN CA . 50952 1 217 . 1 . 1 125 125 GLN CB C 13 32.307 0.3 . 1 . . . . . 125 GLN CB . 50952 1 218 . 1 . 1 125 125 GLN CG C 13 34.237 0.3 . 1 . . . . . 125 GLN CG . 50952 1 219 . 1 . 1 125 125 GLN CD C 13 178.557 0.3 . 1 . . . . . 125 GLN CD . 50952 1 220 . 1 . 1 125 125 GLN N N 15 117.768 0.3 . 1 . . . . . 125 GLN N . 50952 1 221 . 1 . 1 125 125 GLN NE2 N 15 109.314 0.3 . 1 . . . . . 125 GLN NE2 . 50952 1 222 . 1 . 1 126 126 MET C C 13 173.85 0.3 . 1 . . . . . 126 MET C . 50952 1 223 . 1 . 1 126 126 MET CA C 13 52.842 0.3 . 1 . . . . . 126 MET CA . 50952 1 224 . 1 . 1 126 126 MET CB C 13 36.772 0.3 . 1 . . . . . 126 MET CB . 50952 1 225 . 1 . 1 126 126 MET CG C 13 31.612 0.3 . 1 . . . . . 126 MET CG . 50952 1 226 . 1 . 1 126 126 MET N N 15 115.543 0.3 . 1 . . . . . 126 MET N . 50952 1 227 . 1 . 1 127 127 CYS C C 13 172.73 0.3 . 1 . . . . . 127 CYS C . 50952 1 228 . 1 . 1 127 127 CYS CA C 13 54.759 0.3 . 1 . . . . . 127 CYS CA . 50952 1 229 . 1 . 1 127 127 CYS CB C 13 39.927 0.3 . 1 . . . . . 127 CYS CB . 50952 1 230 . 1 . 1 127 127 CYS N N 15 116.801 0.3 . 1 . . . . . 127 CYS N . 50952 1 231 . 1 . 1 128 128 VAL CA C 13 59.261 0.3 . 1 . . . . . 128 VAL CA . 50952 1 232 . 1 . 1 128 128 VAL CB C 13 35.525 0.3 . 1 . . . . . 128 VAL CB . 50952 1 233 . 1 . 1 128 128 VAL CG1 C 13 19.184 0.3 . 1 . . . . . 128 VAL CG1 . 50952 1 234 . 1 . 1 128 128 VAL CG2 C 13 20.446 0.3 . 1 . . . . . 128 VAL CG2 . 50952 1 235 . 1 . 1 128 128 VAL N N 15 117.144 0.3 . 1 . . . . . 128 VAL N . 50952 1 236 . 1 . 1 129 129 THR CA C 13 54.657 0.3 . 1 . . . . . 129 THR CA . 50952 1 237 . 1 . 1 129 129 THR CB C 13 68.397 0.3 . 1 . . . . . 129 THR CB . 50952 1 238 . 1 . 1 129 129 THR CG2 C 13 18.447 0.3 . 1 . . . . . 129 THR CG2 . 50952 1 239 . 1 . 1 130 130 GLN C C 13 175.08 0.3 . 1 . . . . . 130 GLN C . 50952 1 240 . 1 . 1 130 130 GLN CA C 13 53.522 0.3 . 1 . . . . . 130 GLN CA . 50952 1 241 . 1 . 1 130 130 GLN CB C 13 30.497 0.3 . 1 . . . . . 130 GLN CB . 50952 1 242 . 1 . 1 130 130 GLN CG C 13 30.629 0.3 . 1 . . . . . 130 GLN CG . 50952 1 243 . 1 . 1 130 130 GLN CD C 13 177.668 0.3 . 1 . . . . . 130 GLN CD . 50952 1 244 . 1 . 1 130 130 GLN N N 15 117.244 0.3 . 1 . . . . . 130 GLN N . 50952 1 245 . 1 . 1 130 130 GLN NE2 N 15 106.693 0.3 . 1 . . . . . 130 GLN NE2 . 50952 1 246 . 1 . 1 131 131 TYR C C 13 173.65 0.3 . 1 . . . . . 131 TYR C . 50952 1 247 . 1 . 1 131 131 TYR CA C 13 61.221 0.3 . 1 . . . . . 131 TYR CA . 50952 1 248 . 1 . 1 131 131 TYR CB C 13 35.424 0.3 . 1 . . . . . 131 TYR CB . 50952 1 249 . 1 . 1 131 131 TYR CG C 13 130.504 0.3 . 1 . . . . . 131 TYR CG . 50952 1 250 . 1 . 1 131 131 TYR CD1 C 13 133.109 0.3 . 1 . . . . . 131 TYR CD1 . 50952 1 251 . 1 . 1 131 131 TYR CE1 C 13 118.176 0.3 . 1 . . . . . 131 TYR CE1 . 50952 1 252 . 1 . 1 131 131 TYR N N 15 104.904 0.3 . 1 . . . . . 131 TYR N . 50952 1 253 . 1 . 1 132 132 GLN C C 13 174.99 0.3 . 1 . . . . . 132 GLN C . 50952 1 254 . 1 . 1 132 132 GLN CA C 13 60.064 0.3 . 1 . . . . . 132 GLN CA . 50952 1 255 . 1 . 1 132 132 GLN CB C 13 26.775 0.3 . 1 . . . . . 132 GLN CB . 50952 1 256 . 1 . 1 132 132 GLN CG C 13 35.642 0.3 . 1 . . . . . 132 GLN CG . 50952 1 257 . 1 . 1 132 132 GLN CD C 13 179.094 0.3 . 1 . . . . . 132 GLN CD . 50952 1 258 . 1 . 1 132 132 GLN N N 15 118.465 0.3 . 1 . . . . . 132 GLN N . 50952 1 259 . 1 . 1 132 132 GLN NE2 N 15 105.502 0.3 . 1 . . . . . 132 GLN NE2 . 50952 1 260 . 1 . 1 133 133 LYS C C 13 174.25 0.3 . 1 . . . . . 133 LYS C . 50952 1 261 . 1 . 1 133 133 LYS CA C 13 54.409 0.3 . 1 . . . . . 133 LYS CA . 50952 1 262 . 1 . 1 133 133 LYS CB C 13 36.659 0.3 . 1 . . . . . 133 LYS CB . 50952 1 263 . 1 . 1 133 133 LYS CG C 13 25.121 0.3 . 1 . . . . . 133 LYS CG . 50952 1 264 . 1 . 1 133 133 LYS CD C 13 29.339 0.3 . 1 . . . . . 133 LYS CD . 50952 1 265 . 1 . 1 133 133 LYS CE C 13 41.722 0.3 . 1 . . . . . 133 LYS CE . 50952 1 266 . 1 . 1 133 133 LYS N N 15 115.845 0.3 . 1 . . . . . 133 LYS N . 50952 1 267 . 1 . 1 134 134 GLU C C 13 173.7 0.3 . 1 . . . . . 134 GLU C . 50952 1 268 . 1 . 1 134 134 GLU CA C 13 53.912 0.3 . 1 . . . . . 134 GLU CA . 50952 1 269 . 1 . 1 134 134 GLU CB C 13 31.832 0.3 . 1 . . . . . 134 GLU CB . 50952 1 270 . 1 . 1 134 134 GLU CG C 13 35.799 0.3 . 1 . . . . . 134 GLU CG . 50952 1 271 . 1 . 1 134 134 GLU CD C 13 178.373 0.3 . 1 . . . . . 134 GLU CD . 50952 1 272 . 1 . 1 134 134 GLU N N 15 123.909 0.3 . 1 . . . . . 134 GLU N . 50952 1 273 . 1 . 1 135 135 SER C C 13 172.26 0.3 . 1 . . . . . 135 SER C . 50952 1 274 . 1 . 1 135 135 SER CA C 13 56.601 0.3 . 1 . . . . . 135 SER CA . 50952 1 275 . 1 . 1 135 135 SER CB C 13 65.88 0.3 . 1 . . . . . 135 SER CB . 50952 1 276 . 1 . 1 135 135 SER N N 15 118.685 0.3 . 1 . . . . . 135 SER N . 50952 1 277 . 1 . 1 136 136 GLN C C 13 174.76 0.3 . 1 . . . . . 136 GLN C . 50952 1 278 . 1 . 1 136 136 GLN CA C 13 55 0.3 . 1 . . . . . 136 GLN CA . 50952 1 279 . 1 . 1 136 136 GLN CB C 13 34.363 0.3 . 1 . . . . . 136 GLN CB . 50952 1 280 . 1 . 1 136 136 GLN CG C 13 34.363 0.3 . 1 . . . . . 136 GLN CG . 50952 1 281 . 1 . 1 136 136 GLN CD C 13 177.895 0.3 . 1 . . . . . 136 GLN CD . 50952 1 282 . 1 . 1 136 136 GLN N N 15 124.17 0.3 . 1 . . . . . 136 GLN N . 50952 1 283 . 1 . 1 136 136 GLN NE2 N 15 107.683 0.3 . 1 . . . . . 136 GLN NE2 . 50952 1 284 . 1 . 1 137 137 ALA CA C 13 51.168 0.3 . 1 . . . . . 137 ALA CA . 50952 1 285 . 1 . 1 137 137 ALA CB C 13 23.485 0.3 . 1 . . . . . 137 ALA CB . 50952 1 286 . 1 . 1 137 137 ALA N N 15 126.451 0.3 . 1 . . . . . 137 ALA N . 50952 1 stop_ save_