data_50035 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50035 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for dL3D1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-06 _Entry.Accession_date 2019-10-06 _Entry.Last_release_date 2019-10-08 _Entry.Original_release_date 2019-10-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Shengnan Zhang . . . . 50035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 215 50035 '15N chemical shifts' 100 50035 '1H chemical shifts' 100 50035 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 . . 2021-06-13 . original BMRB . 50035 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50035 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for dL3D1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev PNAS _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Shengnan Zhang . . . . 50035 1 2 Yuqing Liu . . . . 50035 1 3 Chunyu Jia . . . . 50035 1 4 Yeh-Jun Lim . . . . 50035 1 5 Guoqin Feng . . . . 50035 1 6 Enquan Xu . . . . 50035 1 7 Yasuyoshi Kimura . . . . 50035 1 8 Houfang Long . . . . 50035 1 9 Youqi Tao . . . . 50035 1 10 Chunyu Zhao . . . . 50035 1 11 Chuchu Wang . . . . 50035 1 12 Zhenying Liu . . . . 50035 1 13 Jin-Jian Hu . . . . 50035 1 14 Mengrong Ma . . . . 50035 1 15 Lin Jiang . . . . 50035 1 16 Dan Li . . . . 50035 1 17 Renxiao Wang . . . . 50035 1 18 Valina Dawson . L . . 50035 1 19 Ted Dawson . M . . 50035 1 20 Yan-Mei Li . . . . 50035 1 21 Xiaobo Mao . . . . 50035 1 22 Cong Liu . . . . 50035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50035 _Assembly.ID 1 _Assembly.Name dL3D1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 dL3D1 1 $entity_1 . . yes native no no . . . 50035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dL3D1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGSGPGKELPVVWAQEGAPV HLPCSLKSPNLDPNFLRRGG VIWQHQPDSGQPTGRYTVLS VAPGGLRSGRQPLHPHVQLE ERGLQRGDFSLWLRPALRTD AGEYHATVRLPNRALSCSLR LRVGQ ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 -1 GLN . 50035 1 2 0 GLY . 50035 1 3 1 SER . 50035 1 4 2 GLY . 50035 1 5 3 PRO . 50035 1 6 4 GLY . 50035 1 7 5 LYS . 50035 1 8 6 GLU . 50035 1 9 7 LEU . 50035 1 10 8 PRO . 50035 1 11 9 VAL . 50035 1 12 10 VAL . 50035 1 13 11 TRP . 50035 1 14 12 ALA . 50035 1 15 13 GLN . 50035 1 16 14 GLU . 50035 1 17 15 GLY . 50035 1 18 16 ALA . 50035 1 19 17 PRO . 50035 1 20 18 VAL . 50035 1 21 19 HIS . 50035 1 22 20 LEU . 50035 1 23 21 PRO . 50035 1 24 22 CYS . 50035 1 25 23 SER . 50035 1 26 24 LEU . 50035 1 27 25 LYS . 50035 1 28 26 SER . 50035 1 29 27 PRO . 50035 1 30 28 ASN . 50035 1 31 29 LEU . 50035 1 32 30 ASP . 50035 1 33 31 PRO . 50035 1 34 32 ASN . 50035 1 35 33 PHE . 50035 1 36 34 LEU . 50035 1 37 35 ARG . 50035 1 38 36 ARG . 50035 1 39 37 GLY . 50035 1 40 38 GLY . 50035 1 41 39 VAL . 50035 1 42 40 ILE . 50035 1 43 41 TRP . 50035 1 44 42 GLN . 50035 1 45 43 HIS . 50035 1 46 44 GLN . 50035 1 47 45 PRO . 50035 1 48 46 ASP . 50035 1 49 47 SER . 50035 1 50 48 GLY . 50035 1 51 49 GLN . 50035 1 52 50 PRO . 50035 1 53 51 THR . 50035 1 54 52 GLY . 50035 1 55 53 ARG . 50035 1 56 54 TYR . 50035 1 57 55 THR . 50035 1 58 56 VAL . 50035 1 59 57 LEU . 50035 1 60 58 SER . 50035 1 61 59 VAL . 50035 1 62 60 ALA . 50035 1 63 61 PRO . 50035 1 64 62 GLY . 50035 1 65 63 GLY . 50035 1 66 64 LEU . 50035 1 67 65 ARG . 50035 1 68 66 SER . 50035 1 69 67 GLY . 50035 1 70 68 ARG . 50035 1 71 69 GLN . 50035 1 72 70 PRO . 50035 1 73 71 LEU . 50035 1 74 72 HIS . 50035 1 75 73 PRO . 50035 1 76 74 HIS . 50035 1 77 75 VAL . 50035 1 78 76 GLN . 50035 1 79 77 LEU . 50035 1 80 78 GLU . 50035 1 81 79 GLU . 50035 1 82 80 ARG . 50035 1 83 81 GLY . 50035 1 84 82 LEU . 50035 1 85 83 GLN . 50035 1 86 84 ARG . 50035 1 87 85 GLY . 50035 1 88 86 ASP . 50035 1 89 87 PHE . 50035 1 90 88 SER . 50035 1 91 89 LEU . 50035 1 92 90 TRP . 50035 1 93 91 LEU . 50035 1 94 92 ARG . 50035 1 95 93 PRO . 50035 1 96 94 ALA . 50035 1 97 95 LEU . 50035 1 98 96 ARG . 50035 1 99 97 THR . 50035 1 100 98 ASP . 50035 1 101 99 ALA . 50035 1 102 100 GLY . 50035 1 103 101 GLU . 50035 1 104 102 TYR . 50035 1 105 103 HIS . 50035 1 106 104 ALA . 50035 1 107 105 THR . 50035 1 108 106 VAL . 50035 1 109 107 ARG . 50035 1 110 108 LEU . 50035 1 111 109 PRO . 50035 1 112 110 ASN . 50035 1 113 111 ARG . 50035 1 114 112 ALA . 50035 1 115 113 LEU . 50035 1 116 114 SER . 50035 1 117 115 CYS . 50035 1 118 116 SER . 50035 1 119 117 LEU . 50035 1 120 118 ARG . 50035 1 121 119 LEU . 50035 1 122 120 ARG . 50035 1 123 121 VAL . 50035 1 124 122 GLY . 50035 1 125 123 GLN . 50035 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 . GLN 1 1 50035 1 . GLY 2 2 50035 1 . SER 3 3 50035 1 . GLY 4 4 50035 1 . PRO 5 5 50035 1 . GLY 6 6 50035 1 . LYS 7 7 50035 1 . GLU 8 8 50035 1 . LEU 9 9 50035 1 . PRO 10 10 50035 1 . VAL 11 11 50035 1 . VAL 12 12 50035 1 . TRP 13 13 50035 1 . ALA 14 14 50035 1 . GLN 15 15 50035 1 . GLU 16 16 50035 1 . GLY 17 17 50035 1 . ALA 18 18 50035 1 . PRO 19 19 50035 1 . VAL 20 20 50035 1 . HIS 21 21 50035 1 . LEU 22 22 50035 1 . PRO 23 23 50035 1 . CYS 24 24 50035 1 . SER 25 25 50035 1 . LEU 26 26 50035 1 . LYS 27 27 50035 1 . SER 28 28 50035 1 . PRO 29 29 50035 1 . ASN 30 30 50035 1 . LEU 31 31 50035 1 . ASP 32 32 50035 1 . PRO 33 33 50035 1 . ASN 34 34 50035 1 . PHE 35 35 50035 1 . LEU 36 36 50035 1 . ARG 37 37 50035 1 . ARG 38 38 50035 1 . GLY 39 39 50035 1 . GLY 40 40 50035 1 . VAL 41 41 50035 1 . ILE 42 42 50035 1 . TRP 43 43 50035 1 . GLN 44 44 50035 1 . HIS 45 45 50035 1 . GLN 46 46 50035 1 . PRO 47 47 50035 1 . ASP 48 48 50035 1 . SER 49 49 50035 1 . GLY 50 50 50035 1 . GLN 51 51 50035 1 . PRO 52 52 50035 1 . THR 53 53 50035 1 . GLY 54 54 50035 1 . ARG 55 55 50035 1 . TYR 56 56 50035 1 . THR 57 57 50035 1 . VAL 58 58 50035 1 . LEU 59 59 50035 1 . SER 60 60 50035 1 . VAL 61 61 50035 1 . ALA 62 62 50035 1 . PRO 63 63 50035 1 . GLY 64 64 50035 1 . GLY 65 65 50035 1 . LEU 66 66 50035 1 . ARG 67 67 50035 1 . SER 68 68 50035 1 . GLY 69 69 50035 1 . ARG 70 70 50035 1 . GLN 71 71 50035 1 . PRO 72 72 50035 1 . LEU 73 73 50035 1 . HIS 74 74 50035 1 . PRO 75 75 50035 1 . HIS 76 76 50035 1 . VAL 77 77 50035 1 . GLN 78 78 50035 1 . LEU 79 79 50035 1 . GLU 80 80 50035 1 . GLU 81 81 50035 1 . ARG 82 82 50035 1 . GLY 83 83 50035 1 . LEU 84 84 50035 1 . GLN 85 85 50035 1 . ARG 86 86 50035 1 . GLY 87 87 50035 1 . ASP 88 88 50035 1 . PHE 89 89 50035 1 . SER 90 90 50035 1 . LEU 91 91 50035 1 . TRP 92 92 50035 1 . LEU 93 93 50035 1 . ARG 94 94 50035 1 . PRO 95 95 50035 1 . ALA 96 96 50035 1 . LEU 97 97 50035 1 . ARG 98 98 50035 1 . THR 99 99 50035 1 . ASP 100 100 50035 1 . ALA 101 101 50035 1 . GLY 102 102 50035 1 . GLU 103 103 50035 1 . TYR 104 104 50035 1 . HIS 105 105 50035 1 . ALA 106 106 50035 1 . THR 107 107 50035 1 . VAL 108 108 50035 1 . ARG 109 109 50035 1 . LEU 110 110 50035 1 . PRO 111 111 50035 1 . ASN 112 112 50035 1 . ARG 113 113 50035 1 . ALA 114 114 50035 1 . LEU 115 115 50035 1 . SER 116 116 50035 1 . CYS 117 117 50035 1 . SER 118 118 50035 1 . LEU 119 119 50035 1 . ARG 120 120 50035 1 . LEU 121 121 50035 1 . ARG 122 122 50035 1 . VAL 123 123 50035 1 . GLY 124 124 50035 1 . GLN 125 125 50035 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 50035 _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 . . . . . . . . . . . . . 50035 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 50035 _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' . . . . . . . . plasmid . . pET28a(+) . . . 50035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50035 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50035 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50035 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 50035 1 4 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 150 . . mM . . . . 50035 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 50035 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 7.0 . pH 50035 1 pressure 1 . atm 50035 1 temperature 298 . K 50035 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50035 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50035 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50035 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50035 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50035 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50035 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50035 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 50035 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50035 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 50035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details B600 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50035 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details B900 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50035 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50035 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50035 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50035 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 50035 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 0 internal indirect 1 . . . . . 50035 1 N 15 water protons . . . . ppm 0 internal indirect 1 . . . . . 50035 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 50035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 50035 1 2 '3D CBCA(CO)NH' . . . 50035 1 3 '3D HNCACB' . . . 50035 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 5 5 PRO CA C 13 63.4400 . . 1 . . . . . 3 PRO CA . 50035 1 2 . 1 . 1 5 5 PRO CB C 13 32.1600 . . 1 . . . . . 3 PRO CB . 50035 1 3 . 1 . 1 6 6 GLY H H 1 8.5400 . . 1 . . . . . 4 GLY H . 50035 1 4 . 1 . 1 6 6 GLY CA C 13 45.1900 . . 1 . . . . . 4 GLY CA . 50035 1 5 . 1 . 1 6 6 GLY N N 15 109.7800 . . 1 . . . . . 4 GLY N . 50035 1 6 . 1 . 1 7 7 LYS H H 1 8.1300 . . 1 . . . . . 5 LYS H . 50035 1 7 . 1 . 1 7 7 LYS CA C 13 56.0200 . . 1 . . . . . 5 LYS CA . 50035 1 8 . 1 . 1 7 7 LYS CB C 13 33.3100 . . 1 . . . . . 5 LYS CB . 50035 1 9 . 1 . 1 7 7 LYS N N 15 120.7600 . . 1 . . . . . 5 LYS N . 50035 1 10 . 1 . 1 8 8 GLU H H 1 8.4400 . . 1 . . . . . 6 GLU H . 50035 1 11 . 1 . 1 8 8 GLU CA C 13 56.0200 . . 1 . . . . . 6 GLU CA . 50035 1 12 . 1 . 1 8 8 GLU CB C 13 30.2700 . . 1 . . . . . 6 GLU CB . 50035 1 13 . 1 . 1 8 8 GLU N N 15 122.3100 . . 1 . . . . . 6 GLU N . 50035 1 14 . 1 . 1 9 9 LEU H H 1 8.2800 . . 1 . . . . . 7 LEU H . 50035 1 15 . 1 . 1 9 9 LEU CA C 13 53.1700 . . 1 . . . . . 7 LEU CA . 50035 1 16 . 1 . 1 9 9 LEU CB C 13 42.2500 . . 1 . . . . . 7 LEU CB . 50035 1 17 . 1 . 1 9 9 LEU N N 15 124.4700 . . 1 . . . . . 7 LEU N . 50035 1 18 . 1 . 1 11 11 VAL CA C 13 63.0700 . . 1 . . . . . 9 VAL CA . 50035 1 19 . 1 . 1 11 11 VAL CB C 13 33.0000 . . 1 . . . . . 9 VAL CB . 50035 1 20 . 1 . 1 12 12 VAL H H 1 8.2100 . . 1 . . . . . 10 VAL H . 50035 1 21 . 1 . 1 12 12 VAL CA C 13 61.2100 . . 1 . . . . . 10 VAL CA . 50035 1 22 . 1 . 1 12 12 VAL CB C 13 33.8900 . . 1 . . . . . 10 VAL CB . 50035 1 23 . 1 . 1 12 12 VAL N N 15 121.6200 . . 1 . . . . . 10 VAL N . 50035 1 24 . 1 . 1 13 13 TRP H H 1 8.6700 . . 1 . . . . . 11 TRP H . 50035 1 25 . 1 . 1 13 13 TRP CA C 13 56.4900 . . 1 . . . . . 11 TRP CA . 50035 1 26 . 1 . 1 13 13 TRP CB C 13 30.7100 . . 1 . . . . . 11 TRP CB . 50035 1 27 . 1 . 1 13 13 TRP N N 15 127.5600 . . 1 . . . . . 11 TRP N . 50035 1 28 . 1 . 1 14 14 ALA H H 1 8.7000 . . 1 . . . . . 12 ALA H . 50035 1 29 . 1 . 1 14 14 ALA CA C 13 50.1200 . . 1 . . . . . 12 ALA CA . 50035 1 30 . 1 . 1 14 14 ALA CB C 13 23.3200 . . 1 . . . . . 12 ALA CB . 50035 1 31 . 1 . 1 14 14 ALA N N 15 125.6600 . . 1 . . . . . 12 ALA N . 50035 1 32 . 1 . 1 15 15 GLN H H 1 8.3800 . . 1 . . . . . 13 GLN H . 50035 1 33 . 1 . 1 15 15 GLN CA C 13 54.1700 . . 1 . . . . . 13 GLN CA . 50035 1 34 . 1 . 1 15 15 GLN CB C 13 29.9800 . . 1 . . . . . 13 GLN CB . 50035 1 35 . 1 . 1 15 15 GLN N N 15 121.2300 . . 1 . . . . . 13 GLN N . 50035 1 36 . 1 . 1 16 16 GLU H H 1 8.7600 . . 1 . . . . . 14 GLU H . 50035 1 37 . 1 . 1 16 16 GLU CA C 13 58.0800 . . 1 . . . . . 14 GLU CA . 50035 1 38 . 1 . 1 16 16 GLU CB C 13 29.4000 . . 1 . . . . . 14 GLU CB . 50035 1 39 . 1 . 1 16 16 GLU N N 15 124.6600 . . 1 . . . . . 14 GLU N . 50035 1 40 . 1 . 1 17 17 GLY H H 1 9.4100 . . 1 . . . . . 15 GLY H . 50035 1 41 . 1 . 1 17 17 GLY CA C 13 45.3400 . . 1 . . . . . 15 GLY CA . 50035 1 42 . 1 . 1 17 17 GLY N N 15 113.8800 . . 1 . . . . . 15 GLY N . 50035 1 43 . 1 . 1 18 18 ALA H H 1 8.2700 . . 1 . . . . . 16 ALA H . 50035 1 44 . 1 . 1 18 18 ALA CA C 13 49.2500 . . 1 . . . . . 16 ALA CA . 50035 1 45 . 1 . 1 18 18 ALA CB C 13 19.7000 . . 1 . . . . . 16 ALA CB . 50035 1 46 . 1 . 1 18 18 ALA N N 15 125.8300 . . 1 . . . . . 16 ALA N . 50035 1 47 . 1 . 1 19 19 PRO CA C 13 62.5700 . . 1 . . . . . 17 PRO CA . 50035 1 48 . 1 . 1 19 19 PRO CB C 13 32.8800 . . 1 . . . . . 17 PRO CB . 50035 1 49 . 1 . 1 20 20 VAL H H 1 8.9300 . . 1 . . . . . 18 VAL H . 50035 1 50 . 1 . 1 20 20 VAL CA C 13 60.8400 . . 1 . . . . . 18 VAL CA . 50035 1 51 . 1 . 1 20 20 VAL CB C 13 35.2000 . . 1 . . . . . 18 VAL CB . 50035 1 52 . 1 . 1 20 20 VAL N N 15 120.5900 . . 1 . . . . . 18 VAL N . 50035 1 53 . 1 . 1 21 21 HIS H H 1 7.4400 . . 1 . . . . . 19 HIS H . 50035 1 54 . 1 . 1 21 21 HIS CA C 13 52.8700 . . 1 . . . . . 19 HIS CA . 50035 1 55 . 1 . 1 21 21 HIS CB C 13 31.8700 . . 1 . . . . . 19 HIS CB . 50035 1 56 . 1 . 1 21 21 HIS N N 15 125.6000 . . 1 . . . . . 19 HIS N . 50035 1 57 . 1 . 1 22 22 LEU H H 1 8.6600 . . 1 . . . . . 20 LEU H . 50035 1 58 . 1 . 1 22 22 LEU CA C 13 50.2600 . . 1 . . . . . 20 LEU CA . 50035 1 59 . 1 . 1 22 22 LEU CB C 13 40.4100 . . 1 . . . . . 20 LEU CB . 50035 1 60 . 1 . 1 22 22 LEU N N 15 126.4100 . . 1 . . . . . 20 LEU N . 50035 1 61 . 1 . 1 24 24 CYS CA C 13 55.4000 . . 1 . . . . . 22 CYS CA . 50035 1 62 . 1 . 1 24 24 CYS CB C 13 37.1600 . . 1 . . . . . 22 CYS CB . 50035 1 63 . 1 . 1 25 25 SER H H 1 8.6800 . . 1 . . . . . 23 SER H . 50035 1 64 . 1 . 1 25 25 SER CA C 13 56.6400 . . 1 . . . . . 23 SER CA . 50035 1 65 . 1 . 1 25 25 SER CB C 13 66.0000 . . 1 . . . . . 23 SER CB . 50035 1 66 . 1 . 1 25 25 SER N N 15 120.3900 . . 1 . . . . . 23 SER N . 50035 1 67 . 1 . 1 26 26 LEU H H 1 8.6800 . . 1 . . . . . 24 LEU H . 50035 1 68 . 1 . 1 26 26 LEU CA C 13 54.7800 . . 1 . . . . . 24 LEU CA . 50035 1 69 . 1 . 1 26 26 LEU CB C 13 43.4900 . . 1 . . . . . 24 LEU CB . 50035 1 70 . 1 . 1 26 26 LEU N N 15 122.8900 . . 1 . . . . . 24 LEU N . 50035 1 71 . 1 . 1 27 27 LYS CA C 13 56.3200 . . 1 . . . . . 25 LYS CA . 50035 1 72 . 1 . 1 27 27 LYS CB C 13 32.0700 . . 1 . . . . . 25 LYS CB . 50035 1 73 . 1 . 1 28 28 SER H H 1 8.0000 . . 1 . . . . . 26 SER H . 50035 1 74 . 1 . 1 28 28 SER CA C 13 56.1500 . . 1 . . . . . 26 SER CA . 50035 1 75 . 1 . 1 28 28 SER CB C 13 64.2100 . . 1 . . . . . 26 SER CB . 50035 1 76 . 1 . 1 28 28 SER N N 15 116.0300 . . 1 . . . . . 26 SER N . 50035 1 77 . 1 . 1 29 29 PRO CA C 13 56.8900 . . 1 . . . . . 27 PRO CA . 50035 1 78 . 1 . 1 29 29 PRO CB C 13 30.2100 . . 1 . . . . . 27 PRO CB . 50035 1 79 . 1 . 1 30 30 ASN H H 1 8.3600 . . 1 . . . . . 28 ASN H . 50035 1 80 . 1 . 1 30 30 ASN CA C 13 53.2900 . . 1 . . . . . 28 ASN CA . 50035 1 81 . 1 . 1 30 30 ASN CB C 13 38.7700 . . 1 . . . . . 28 ASN CB . 50035 1 82 . 1 . 1 30 30 ASN N N 15 118.8000 . . 1 . . . . . 28 ASN N . 50035 1 83 . 1 . 1 31 31 LEU H H 1 7.9800 . . 1 . . . . . 29 LEU H . 50035 1 84 . 1 . 1 31 31 LEU CA C 13 55.3500 . . 1 . . . . . 29 LEU CA . 50035 1 85 . 1 . 1 31 31 LEU CB C 13 42.3500 . . 1 . . . . . 29 LEU CB . 50035 1 86 . 1 . 1 31 31 LEU N N 15 121.8600 . . 1 . . . . . 29 LEU N . 50035 1 87 . 1 . 1 32 32 ASP H H 1 7.9400 . . 1 . . . . . 30 ASP H . 50035 1 88 . 1 . 1 32 32 ASP CA C 13 57.6300 . . 1 . . . . . 30 ASP CA . 50035 1 89 . 1 . 1 32 32 ASP CB C 13 38.8200 . . 1 . . . . . 30 ASP CB . 50035 1 90 . 1 . 1 32 32 ASP N N 15 119.5100 . . 1 . . . . . 30 ASP N . 50035 1 91 . 1 . 1 33 33 PRO CA C 13 64.8000 . . 1 . . . . . 31 PRO CA . 50035 1 92 . 1 . 1 33 33 PRO CB C 13 32.4000 . . 1 . . . . . 31 PRO CB . 50035 1 93 . 1 . 1 34 34 ASN H H 1 8.6900 . . 1 . . . . . 32 ASN H . 50035 1 94 . 1 . 1 34 34 ASN CA C 13 55.1900 . . 1 . . . . . 32 ASN CA . 50035 1 95 . 1 . 1 34 34 ASN CB C 13 38.3300 . . 1 . . . . . 32 ASN CB . 50035 1 96 . 1 . 1 34 34 ASN N N 15 115.6800 . . 1 . . . . . 32 ASN N . 50035 1 97 . 1 . 1 35 35 PHE H H 1 7.8900 . . 1 . . . . . 33 PHE H . 50035 1 98 . 1 . 1 35 35 PHE CA C 13 60.1200 . . 1 . . . . . 33 PHE CA . 50035 1 99 . 1 . 1 35 35 PHE CB C 13 39.3000 . . 1 . . . . . 33 PHE CB . 50035 1 100 . 1 . 1 35 35 PHE N N 15 120.8200 . . 1 . . . . . 33 PHE N . 50035 1 101 . 1 . 1 36 36 LEU H H 1 7.7800 . . 1 . . . . . 34 LEU H . 50035 1 102 . 1 . 1 36 36 LEU CA C 13 56.8300 . . 1 . . . . . 34 LEU CA . 50035 1 103 . 1 . 1 36 36 LEU CB C 13 41.7800 . . 1 . . . . . 34 LEU CB . 50035 1 104 . 1 . 1 36 36 LEU N N 15 117.9200 . . 1 . . . . . 34 LEU N . 50035 1 105 . 1 . 1 37 37 ARG H H 1 7.7800 . . 1 . . . . . 35 ARG H . 50035 1 106 . 1 . 1 37 37 ARG CA C 13 57.9700 . . 1 . . . . . 35 ARG CA . 50035 1 107 . 1 . 1 37 37 ARG CB C 13 30.3800 . . 1 . . . . . 35 ARG CB . 50035 1 108 . 1 . 1 37 37 ARG N N 15 116.0200 . . 1 . . . . . 35 ARG N . 50035 1 109 . 1 . 1 38 38 ARG H H 1 7.4500 . . 1 . . . . . 36 ARG H . 50035 1 110 . 1 . 1 38 38 ARG CA C 13 55.9200 . . 1 . . . . . 36 ARG CA . 50035 1 111 . 1 . 1 38 38 ARG CB C 13 30.3800 . . 1 . . . . . 36 ARG CB . 50035 1 112 . 1 . 1 38 38 ARG N N 15 115.7100 . . 1 . . . . . 36 ARG N . 50035 1 113 . 1 . 1 39 39 GLY H H 1 7.9400 . . 1 . . . . . 37 GLY H . 50035 1 114 . 1 . 1 39 39 GLY CA C 13 45.6600 . . 1 . . . . . 37 GLY CA . 50035 1 115 . 1 . 1 39 39 GLY N N 15 108.0200 . . 1 . . . . . 37 GLY N . 50035 1 116 . 1 . 1 40 40 GLY H H 1 8.2700 . . 1 . . . . . 38 GLY H . 50035 1 117 . 1 . 1 40 40 GLY CA C 13 44.1800 . . 1 . . . . . 38 GLY CA . 50035 1 118 . 1 . 1 40 40 GLY N N 15 106.7000 . . 1 . . . . . 38 GLY N . 50035 1 119 . 1 . 1 41 41 VAL H H 1 8.5000 . . 1 . . . . . 39 VAL H . 50035 1 120 . 1 . 1 41 41 VAL CA C 13 60.0000 . . 1 . . . . . 39 VAL CA . 50035 1 121 . 1 . 1 41 41 VAL CB C 13 34.7600 . . 1 . . . . . 39 VAL CB . 50035 1 122 . 1 . 1 41 41 VAL N N 15 117.5600 . . 1 . . . . . 39 VAL N . 50035 1 123 . 1 . 1 42 42 ILE H H 1 8.1700 . . 1 . . . . . 40 ILE H . 50035 1 124 . 1 . 1 42 42 ILE CA C 13 60.4900 . . 1 . . . . . 40 ILE CA . 50035 1 125 . 1 . 1 42 42 ILE CB C 13 41.7700 . . 1 . . . . . 40 ILE CB . 50035 1 126 . 1 . 1 42 42 ILE N N 15 125.6800 . . 1 . . . . . 40 ILE N . 50035 1 127 . 1 . 1 43 43 TRP H H 1 9.2300 . . 1 . . . . . 41 TRP H . 50035 1 128 . 1 . 1 43 43 TRP CA C 13 56.7900 . . 1 . . . . . 41 TRP CA . 50035 1 129 . 1 . 1 43 43 TRP CB C 13 32.7900 . . 1 . . . . . 41 TRP CB . 50035 1 130 . 1 . 1 43 43 TRP N N 15 125.9000 . . 1 . . . . . 41 TRP N . 50035 1 131 . 1 . 1 44 44 GLN H H 1 9.7800 . . 1 . . . . . 42 GLN H . 50035 1 132 . 1 . 1 44 44 GLN CA C 13 54.4500 . . 1 . . . . . 42 GLN CA . 50035 1 133 . 1 . 1 44 44 GLN CB C 13 33.4600 . . 1 . . . . . 42 GLN CB . 50035 1 134 . 1 . 1 44 44 GLN N N 15 121.2200 . . 1 . . . . . 42 GLN N . 50035 1 135 . 1 . 1 45 45 HIS H H 1 8.6700 . . 1 . . . . . 43 HIS H . 50035 1 136 . 1 . 1 45 45 HIS CA C 13 51.8600 . . 1 . . . . . 43 HIS CA . 50035 1 137 . 1 . 1 45 45 HIS CB C 13 35.9200 . . 1 . . . . . 43 HIS CB . 50035 1 138 . 1 . 1 45 45 HIS N N 15 121.6100 . . 1 . . . . . 43 HIS N . 50035 1 139 . 1 . 1 46 46 GLN H H 1 9.0200 . . 1 . . . . . 44 GLN H . 50035 1 140 . 1 . 1 46 46 GLN CA C 13 51.8600 . . 1 . . . . . 44 GLN CA . 50035 1 141 . 1 . 1 46 46 GLN CB C 13 32.4500 . . 1 . . . . . 44 GLN CB . 50035 1 142 . 1 . 1 46 46 GLN N N 15 127.5700 . . 1 . . . . . 44 GLN N . 50035 1 143 . 1 . 1 48 48 ASP CA C 13 64.4600 . . 1 . . . . . 46 ASP CA . 50035 1 144 . 1 . 1 48 48 ASP CB C 13 31.4500 . . 1 . . . . . 46 ASP CB . 50035 1 145 . 1 . 1 49 49 SER H H 1 7.8900 . . 1 . . . . . 47 SER H . 50035 1 146 . 1 . 1 49 49 SER CA C 13 62.8500 . . 1 . . . . . 47 SER CA . 50035 1 147 . 1 . 1 49 49 SER CB C 13 69.0500 . . 1 . . . . . 47 SER CB . 50035 1 148 . 1 . 1 49 49 SER N N 15 110.4600 . . 1 . . . . . 47 SER N . 50035 1 149 . 1 . 1 50 50 GLY H H 1 8.0000 . . 1 . . . . . 48 GLY H . 50035 1 150 . 1 . 1 50 50 GLY CA C 13 45.1000 . . 1 . . . . . 48 GLY CA . 50035 1 151 . 1 . 1 50 50 GLY N N 15 109.1900 . . 1 . . . . . 48 GLY N . 50035 1 152 . 1 . 1 51 51 GLN H H 1 7.7000 . . 1 . . . . . 49 GLN H . 50035 1 153 . 1 . 1 51 51 GLN CA C 13 56.3000 . . 1 . . . . . 49 GLN CA . 50035 1 154 . 1 . 1 51 51 GLN CB C 13 29.9600 . . 1 . . . . . 49 GLN CB . 50035 1 155 . 1 . 1 51 51 GLN N N 15 117.9700 . . 1 . . . . . 49 GLN N . 50035 1 156 . 1 . 1 52 52 PRO CA C 13 63.1600 . . 1 . . . . . 50 PRO CA . 50035 1 157 . 1 . 1 52 52 PRO CB C 13 34.5100 . . 1 . . . . . 50 PRO CB . 50035 1 158 . 1 . 1 53 53 THR H H 1 7.9900 . . 1 . . . . . 51 THR H . 50035 1 159 . 1 . 1 53 53 THR CB C 13 69.5600 . . 1 . . . . . 51 THR HA . 50035 1 160 . 1 . 1 53 53 THR CA C 13 61.5300 . . 1 . . . . . 51 THR CA . 50035 1 161 . 1 . 1 53 53 THR N N 15 113.1100 . . 1 . . . . . 51 THR N . 50035 1 162 . 1 . 1 54 54 GLY H H 1 8.0300 . . 1 . . . . . 52 GLY H . 50035 1 163 . 1 . 1 54 54 GLY CA C 13 45.2800 . . 1 . . . . . 52 GLY CA . 50035 1 164 . 1 . 1 54 54 GLY N N 15 109.8700 . . 1 . . . . . 52 GLY N . 50035 1 165 . 1 . 1 55 55 ARG H H 1 7.5300 . . 1 . . . . . 53 ARG H . 50035 1 166 . 1 . 1 55 55 ARG CA C 13 56.0600 . . 1 . . . . . 53 ARG CA . 50035 1 167 . 1 . 1 55 55 ARG CB C 13 31.5600 . . 1 . . . . . 53 ARG CB . 50035 1 168 . 1 . 1 55 55 ARG N N 15 119.8600 . . 1 . . . . . 53 ARG N . 50035 1 169 . 1 . 1 56 56 TYR H H 1 8.7500 . . 1 . . . . . 54 TYR H . 50035 1 170 . 1 . 1 56 56 TYR CA C 13 55.8100 . . 1 . . . . . 54 TYR CA . 50035 1 171 . 1 . 1 56 56 TYR CB C 13 40.9100 . . 1 . . . . . 54 TYR CB . 50035 1 172 . 1 . 1 56 56 TYR N N 15 122.8200 . . 1 . . . . . 54 TYR N . 50035 1 173 . 1 . 1 57 57 THR H H 1 9.1700 . . 1 . . . . . 55 THR H . 50035 1 174 . 1 . 1 57 57 THR CA C 13 64.0600 . . 1 . . . . . 55 THR CA . 50035 1 175 . 1 . 1 57 57 THR CB C 13 69.1100 . . 1 . . . . . 55 THR CB . 50035 1 176 . 1 . 1 57 57 THR N N 15 119.6200 . . 1 . . . . . 55 THR N . 50035 1 177 . 1 . 1 58 58 VAL H H 1 8.9600 . . 1 . . . . . 56 VAL H . 50035 1 178 . 1 . 1 58 58 VAL CA C 13 62.0900 . . 1 . . . . . 56 VAL CA . 50035 1 179 . 1 . 1 58 58 VAL CB C 13 33.2800 . . 1 . . . . . 56 VAL CB . 50035 1 180 . 1 . 1 58 58 VAL N N 15 125.0300 . . 1 . . . . . 56 VAL N . 50035 1 181 . 1 . 1 59 59 LEU H H 1 7.6900 . . 1 . . . . . 57 LEU H . 50035 1 182 . 1 . 1 59 59 LEU CA C 13 56.3000 . . 1 . . . . . 57 LEU CA . 50035 1 183 . 1 . 1 59 59 LEU CB C 13 45.2200 . . 1 . . . . . 57 LEU CB . 50035 1 184 . 1 . 1 59 59 LEU N N 15 120.0800 . . 1 . . . . . 57 LEU N . 50035 1 185 . 1 . 1 60 60 SER H H 1 8.8100 . . 1 . . . . . 58 SER H . 50035 1 186 . 1 . 1 60 60 SER CA C 13 56.6700 . . 1 . . . . . 58 SER CA . 50035 1 187 . 1 . 1 60 60 SER CB C 13 65.2900 . . 1 . . . . . 58 SER CB . 50035 1 188 . 1 . 1 60 60 SER N N 15 119.9000 . . 1 . . . . . 58 SER N . 50035 1 189 . 1 . 1 61 61 VAL H H 1 9.2700 . . 1 . . . . . 59 VAL H . 50035 1 190 . 1 . 1 61 61 VAL CA C 13 61.5400 . . 1 . . . . . 59 VAL CA . 50035 1 191 . 1 . 1 61 61 VAL CB C 13 34.6700 . . 1 . . . . . 59 VAL CB . 50035 1 192 . 1 . 1 61 61 VAL N N 15 125.8000 . . 1 . . . . . 59 VAL N . 50035 1 193 . 1 . 1 62 62 ALA H H 1 8.7700 . . 1 . . . . . 60 ALA H . 50035 1 194 . 1 . 1 62 62 ALA CA C 13 50.4600 . . 1 . . . . . 60 ALA CA . 50035 1 195 . 1 . 1 62 62 ALA CB C 13 18.0500 . . 1 . . . . . 60 ALA CB . 50035 1 196 . 1 . 1 62 62 ALA N N 15 131.9600 . . 1 . . . . . 60 ALA N . 50035 1 197 . 1 . 1 63 63 PRO CA C 13 63.9700 . . 1 . . . . . 61 PRO CA . 50035 1 198 . 1 . 1 63 63 PRO CB C 13 31.8200 . . 1 . . . . . 61 PRO CB . 50035 1 199 . 1 . 1 64 64 GLY H H 1 8.5300 . . 1 . . . . . 62 GLY H . 50035 1 200 . 1 . 1 64 64 GLY CA C 13 45.4800 . . 1 . . . . . 62 GLY CA . 50035 1 201 . 1 . 1 64 64 GLY N N 15 112.0000 . . 1 . . . . . 62 GLY N . 50035 1 202 . 1 . 1 65 65 GLY H H 1 8.7900 . . 1 . . . . . 63 GLY H . 50035 1 203 . 1 . 1 65 65 GLY CA C 13 45.4800 . . 1 . . . . . 63 GLY CA . 50035 1 204 . 1 . 1 65 65 GLY N N 15 109.2900 . . 1 . . . . . 63 GLY N . 50035 1 205 . 1 . 1 66 66 LEU H H 1 7.6700 . . 1 . . . . . 64 LEU H . 50035 1 206 . 1 . 1 66 66 LEU CA C 13 56.1200 . . 1 . . . . . 64 LEU CA . 50035 1 207 . 1 . 1 66 66 LEU CB C 13 42.0200 . . 1 . . . . . 64 LEU CB . 50035 1 208 . 1 . 1 66 66 LEU N N 15 121.8500 . . 1 . . . . . 64 LEU N . 50035 1 209 . 1 . 1 67 67 ARG H H 1 8.7600 . . 1 . . . . . 65 ARG H . 50035 1 210 . 1 . 1 67 67 ARG CA C 13 55.5200 . . 1 . . . . . 65 ARG CA . 50035 1 211 . 1 . 1 67 67 ARG CB C 13 32.0300 . . 1 . . . . . 65 ARG CB . 50035 1 212 . 1 . 1 67 67 ARG N N 15 126.0800 . . 1 . . . . . 65 ARG N . 50035 1 213 . 1 . 1 68 68 SER H H 1 8.7900 . . 1 . . . . . 66 SER H . 50035 1 214 . 1 . 1 68 68 SER CA C 13 57.2200 . . 1 . . . . . 66 SER CA . 50035 1 215 . 1 . 1 68 68 SER CB C 13 64.7500 . . 1 . . . . . 66 SER CB . 50035 1 216 . 1 . 1 68 68 SER N N 15 117.2200 . . 1 . . . . . 66 SER N . 50035 1 217 . 1 . 1 69 69 GLY H H 1 8.1600 . . 1 . . . . . 67 GLY H . 50035 1 218 . 1 . 1 69 69 GLY CA C 13 44.4700 . . 1 . . . . . 67 GLY CA . 50035 1 219 . 1 . 1 69 69 GLY N N 15 107.2000 . . 1 . . . . . 67 GLY N . 50035 1 220 . 1 . 1 70 70 ARG H H 1 8.1200 . . 1 . . . . . 68 ARG H . 50035 1 221 . 1 . 1 70 70 ARG CA C 13 57.3600 . . 1 . . . . . 68 ARG CA . 50035 1 222 . 1 . 1 70 70 ARG CB C 13 30.7000 . . 1 . . . . . 68 ARG CB . 50035 1 223 . 1 . 1 70 70 ARG N N 15 121.3600 . . 1 . . . . . 68 ARG N . 50035 1 224 . 1 . 1 71 71 GLN H H 1 8.4200 . . 1 . . . . . 69 GLN H . 50035 1 225 . 1 . 1 71 71 GLN CA C 13 53.5400 . . 1 . . . . . 69 GLN CA . 50035 1 226 . 1 . 1 71 71 GLN CB C 13 30.7000 . . 1 . . . . . 69 GLN CB . 50035 1 227 . 1 . 1 71 71 GLN N N 15 123.9100 . . 1 . . . . . 69 GLN N . 50035 1 228 . 1 . 1 72 72 PRO CA C 13 65.6200 . . 1 . . . . . 70 PRO CA . 50035 1 229 . 1 . 1 72 72 PRO CB C 13 31.2900 . . 1 . . . . . 70 PRO CB . 50035 1 230 . 1 . 1 73 73 LEU H H 1 8.2800 . . 1 . . . . . 71 LEU H . 50035 1 231 . 1 . 1 73 73 LEU CA C 13 53.3100 . . 1 . . . . . 71 LEU CA . 50035 1 232 . 1 . 1 73 73 LEU CB C 13 38.8300 . . 1 . . . . . 71 LEU CB . 50035 1 233 . 1 . 1 73 73 LEU N N 15 113.5000 . . 1 . . . . . 71 LEU N . 50035 1 234 . 1 . 1 74 74 HIS H H 1 7.4700 . . 1 . . . . . 72 HIS H . 50035 1 235 . 1 . 1 74 74 HIS CA C 13 56.0000 . . 1 . . . . . 72 HIS CA . 50035 1 236 . 1 . 1 74 74 HIS CB C 13 33.1800 . . 1 . . . . . 72 HIS CB . 50035 1 237 . 1 . 1 74 74 HIS N N 15 117.2200 . . 1 . . . . . 72 HIS N . 50035 1 238 . 1 . 1 76 76 HIS CA C 13 56.4900 . . 1 . . . . . 74 HIS CA . 50035 1 239 . 1 . 1 76 76 HIS CB C 13 29.9900 . . 1 . . . . . 74 HIS CB . 50035 1 240 . 1 . 1 77 77 VAL H H 1 7.3700 . . 1 . . . . . 75 VAL H . 50035 1 241 . 1 . 1 77 77 VAL CA C 13 60.4000 . . 1 . . . . . 75 VAL CA . 50035 1 242 . 1 . 1 77 77 VAL CB C 13 32.4500 . . 1 . . . . . 75 VAL CB . 50035 1 243 . 1 . 1 77 77 VAL N N 15 118.0000 . . 1 . . . . . 75 VAL N . 50035 1 244 . 1 . 1 78 78 GLN H H 1 8.8200 . . 1 . . . . . 76 GLN H . 50035 1 245 . 1 . 1 78 78 GLN CA C 13 54.7500 . . 1 . . . . . 76 GLN CA . 50035 1 246 . 1 . 1 78 78 GLN CB C 13 33.1700 . . 1 . . . . . 76 GLN CB . 50035 1 247 . 1 . 1 78 78 GLN N N 15 122.4100 . . 1 . . . . . 76 GLN N . 50035 1 248 . 1 . 1 79 79 LEU CA C 13 54.5600 . . 1 . . . . . 77 LEU CA . 50035 1 249 . 1 . 1 79 79 LEU CB C 13 44.0300 . . 1 . . . . . 77 LEU CB . 50035 1 250 . 1 . 1 80 80 GLU H H 1 9.0400 . . 1 . . . . . 78 GLU H . 50035 1 251 . 1 . 1 80 80 GLU CA C 13 56.2000 . . 1 . . . . . 78 GLU CA . 50035 1 252 . 1 . 1 80 80 GLU CB C 13 29.9800 . . 1 . . . . . 78 GLU CB . 50035 1 253 . 1 . 1 80 80 GLU N N 15 124.6100 . . 1 . . . . . 78 GLU N . 50035 1 254 . 1 . 1 81 81 GLU H H 1 8.9900 . . 1 . . . . . 79 GLU H . 50035 1 255 . 1 . 1 81 81 GLU CA C 13 59.8200 . . 1 . . . . . 79 GLU CA . 50035 1 256 . 1 . 1 81 81 GLU CB C 13 29.4100 . . 1 . . . . . 79 GLU CB . 50035 1 257 . 1 . 1 81 81 GLU N N 15 130.0000 . . 1 . . . . . 79 GLU N . 50035 1 258 . 1 . 1 82 82 ARG N N 15 118.6200 . . 1 . . . . . 80 ARG H . 50035 1 259 . 1 . 1 82 82 ARG CA C 13 58.5200 . . 1 . . . . . 80 ARG HA . 50035 1 260 . 1 . 1 82 82 ARG CB C 13 29.1100 . . 2 . . . . . 80 ARG HB2 . 50035 1 261 . 1 . 1 82 82 ARG H H 1 8.9900 . . 1 . . . . . 80 ARG CA . 50035 1 262 . 1 . 1 83 83 GLY H H 1 7.9100 . . 1 . . . . . 81 GLY H . 50035 1 263 . 1 . 1 83 83 GLY CA C 13 46.9300 . . 1 . . . . . 81 GLY CA . 50035 1 264 . 1 . 1 83 83 GLY N N 15 105.7900 . . 1 . . . . . 81 GLY N . 50035 1 265 . 1 . 1 84 84 LEU H H 1 7.7800 . . 1 . . . . . 82 LEU H . 50035 1 266 . 1 . 1 84 84 LEU CA C 13 58.6500 . . 1 . . . . . 82 LEU CA . 50035 1 267 . 1 . 1 84 84 LEU CB C 13 41.3000 . . 1 . . . . . 82 LEU CB . 50035 1 268 . 1 . 1 84 84 LEU N N 15 123.7200 . . 1 . . . . . 82 LEU N . 50035 1 269 . 1 . 1 85 85 GLN H H 1 7.7100 . . 1 . . . . . 83 GLN H . 50035 1 270 . 1 . 1 85 85 GLN CA C 13 57.6900 . . 1 . . . . . 83 GLN CA . 50035 1 271 . 1 . 1 85 85 GLN CB C 13 28.6500 . . 1 . . . . . 83 GLN CB . 50035 1 272 . 1 . 1 85 85 GLN N N 15 113.2800 . . 1 . . . . . 83 GLN N . 50035 1 273 . 1 . 1 86 86 ARG H H 1 7.5200 . . 1 . . . . . 84 ARG H . 50035 1 274 . 1 . 1 86 86 ARG CA C 13 54.6700 . . 1 . . . . . 84 ARG CA . 50035 1 275 . 1 . 1 86 86 ARG CB C 13 30.7300 . . 1 . . . . . 84 ARG CB . 50035 1 276 . 1 . 1 86 86 ARG N N 15 115.0600 . . 1 . . . . . 84 ARG N . 50035 1 277 . 1 . 1 87 87 GLY H H 1 7.9200 . . 1 . . . . . 85 GLY H . 50035 1 278 . 1 . 1 87 87 GLY CA C 13 46.6400 . . 1 . . . . . 85 GLY CA . 50035 1 279 . 1 . 1 87 87 GLY N N 15 108.8100 . . 1 . . . . . 85 GLY N . 50035 1 280 . 1 . 1 88 88 ASP H H 1 7.7100 . . 1 . . . . . 86 ASP H . 50035 1 281 . 1 . 1 88 88 ASP CA C 13 53.3500 . . 1 . . . . . 86 ASP CA . 50035 1 282 . 1 . 1 88 88 ASP CB C 13 41.6600 . . 1 . . . . . 86 ASP CB . 50035 1 283 . 1 . 1 88 88 ASP N N 15 119.2400 . . 1 . . . . . 86 ASP N . 50035 1 284 . 1 . 1 89 89 PHE H H 1 8.5100 . . 1 . . . . . 87 PHE H . 50035 1 285 . 1 . 1 89 89 PHE CA C 13 56.2400 . . 1 . . . . . 87 PHE CA . 50035 1 286 . 1 . 1 89 89 PHE CB C 13 39.1300 . . 1 . . . . . 87 PHE CB . 50035 1 287 . 1 . 1 89 89 PHE N N 15 125.5100 . . 1 . . . . . 87 PHE N . 50035 1 288 . 1 . 1 90 90 SER H H 1 7.9800 . . 1 . . . . . 88 SER H . 50035 1 289 . 1 . 1 90 90 SER CA C 13 60.8200 . . 1 . . . . . 88 SER CA . 50035 1 290 . 1 . 1 90 90 SER CB C 13 63.2300 . . 1 . . . . . 88 SER CB . 50035 1 291 . 1 . 1 90 90 SER N N 15 114.5600 . . 1 . . . . . 88 SER N . 50035 1 292 . 1 . 1 91 91 LEU H H 1 7.3600 . . 1 . . . . . 89 LEU H . 50035 1 293 . 1 . 1 91 91 LEU CA C 13 52.9900 . . 1 . . . . . 89 LEU CA . 50035 1 294 . 1 . 1 91 91 LEU CB C 13 43.4700 . . 1 . . . . . 89 LEU CB . 50035 1 295 . 1 . 1 91 91 LEU N N 15 123.2300 . . 1 . . . . . 89 LEU N . 50035 1 296 . 1 . 1 92 92 TRP H H 1 8.8200 . . 1 . . . . . 90 TRP H . 50035 1 297 . 1 . 1 92 92 TRP CA C 13 56.0600 . . 1 . . . . . 90 TRP CA . 50035 1 298 . 1 . 1 92 92 TRP CB C 13 30.8200 . . 1 . . . . . 90 TRP CB . 50035 1 299 . 1 . 1 92 92 TRP N N 15 123.7100 . . 1 . . . . . 90 TRP N . 50035 1 300 . 1 . 1 93 93 LEU H H 1 8.6200 . . 1 . . . . . 91 LEU H . 50035 1 301 . 1 . 1 93 93 LEU CA C 13 53.4500 . . 1 . . . . . 91 LEU CA . 50035 1 302 . 1 . 1 93 93 LEU CB C 13 41.5000 . . 1 . . . . . 91 LEU CB . 50035 1 303 . 1 . 1 93 93 LEU N N 15 122.4800 . . 1 . . . . . 91 LEU N . 50035 1 304 . 1 . 1 94 94 ARG H H 1 8.8000 . . 1 . . . . . 92 ARG H . 50035 1 305 . 1 . 1 94 94 ARG CA C 13 52.5800 . . 1 . . . . . 92 ARG CA . 50035 1 306 . 1 . 1 94 94 ARG CB C 13 32.1700 . . 1 . . . . . 92 ARG CB . 50035 1 307 . 1 . 1 94 94 ARG N N 15 120.9700 . . 1 . . . . . 92 ARG N . 50035 1 308 . 1 . 1 95 95 PRO CA C 13 63.5900 . . 1 . . . . . 93 PRO CA . 50035 1 309 . 1 . 1 95 95 PRO CB C 13 34.3330 . . 1 . . . . . 93 PRO CB . 50035 1 310 . 1 . 1 96 96 ALA H H 1 7.8700 . . 1 . . . . . 94 ALA H . 50035 1 311 . 1 . 1 96 96 ALA CA C 13 52.0900 . . 1 . . . . . 94 ALA CA . 50035 1 312 . 1 . 1 96 96 ALA CB C 13 19.2700 . . 1 . . . . . 94 ALA CB . 50035 1 313 . 1 . 1 96 96 ALA N N 15 116.3400 . . 1 . . . . . 94 ALA N . 50035 1 314 . 1 . 1 97 97 LEU H H 1 9.6000 . . 1 . . . . . 95 LEU H . 50035 1 315 . 1 . 1 97 97 LEU CA C 13 52.5800 . . 1 . . . . . 95 LEU CA . 50035 1 316 . 1 . 1 97 97 LEU CB C 13 44.9000 . . 1 . . . . . 95 LEU CB . 50035 1 317 . 1 . 1 97 97 LEU N N 15 123.4400 . . 1 . . . . . 95 LEU N . 50035 1 318 . 1 . 1 98 98 ARG H H 1 9.4500 . . 1 . . . . . 96 ARG H . 50035 1 319 . 1 . 1 98 98 ARG CA C 13 60.4200 . . 1 . . . . . 96 ARG CA . 50035 1 320 . 1 . 1 98 98 ARG CB C 13 29.4300 . . 1 . . . . . 96 ARG CB . 50035 1 321 . 1 . 1 98 98 ARG N N 15 121.6600 . . 1 . . . . . 96 ARG N . 50035 1 322 . 1 . 1 99 99 THR H H 1 7.1400 . . 1 . . . . . 97 THR H . 50035 1 323 . 1 . 1 99 99 THR CA C 13 62.8600 . . 1 . . . . . 97 THR CA . 50035 1 324 . 1 . 1 99 99 THR CB C 13 68.0800 . . 1 . . . . . 97 THR CB . 50035 1 325 . 1 . 1 99 99 THR N N 15 105.3000 . . 1 . . . . . 97 THR N . 50035 1 326 . 1 . 1 100 100 ASP H H 1 8.0400 . . 1 . . . . . 98 ASP H . 50035 1 327 . 1 . 1 100 100 ASP CA C 13 55.1900 . . 1 . . . . . 98 ASP CA . 50035 1 328 . 1 . 1 100 100 ASP CB C 13 42.2900 . . 1 . . . . . 98 ASP CB . 50035 1 329 . 1 . 1 100 100 ASP N N 15 118.9800 . . 1 . . . . . 98 ASP N . 50035 1 330 . 1 . 1 101 101 ALA H H 1 7.1800 . . 1 . . . . . 99 ALA H . 50035 1 331 . 1 . 1 101 101 ALA CA C 13 53.8800 . . 1 . . . . . 99 ALA CA . 50035 1 332 . 1 . 1 101 101 ALA CB C 13 19.7000 . . 1 . . . . . 99 ALA CB . 50035 1 333 . 1 . 1 101 101 ALA N N 15 120.6700 . . 1 . . . . . 99 ALA N . 50035 1 334 . 1 . 1 102 102 GLY H H 1 8.8800 . . 1 . . . . . 100 GLY H . 50035 1 335 . 1 . 1 102 102 GLY CA C 13 44.3200 . . 1 . . . . . 100 GLY CA . 50035 1 336 . 1 . 1 102 102 GLY N N 15 109.7000 . . 1 . . . . . 100 GLY N . 50035 1 337 . 1 . 1 103 103 GLU H H 1 8.3200 . . 1 . . . . . 101 GLU H . 50035 1 338 . 1 . 1 103 103 GLU CA C 13 55.4800 . . 1 . . . . . 101 GLU CA . 50035 1 339 . 1 . 1 103 103 GLU CB C 13 32.3000 . . 1 . . . . . 101 GLU CB . 50035 1 340 . 1 . 1 103 103 GLU N N 15 118.3800 . . 1 . . . . . 101 GLU N . 50035 1 341 . 1 . 1 104 104 TYR H H 1 9.3100 . . 1 . . . . . 102 TYR H . 50035 1 342 . 1 . 1 104 104 TYR CA C 13 57.5000 . . 1 . . . . . 102 TYR CA . 50035 1 343 . 1 . 1 104 104 TYR CB C 13 42.4400 . . 1 . . . . . 102 TYR CB . 50035 1 344 . 1 . 1 104 104 TYR N N 15 121.1300 . . 1 . . . . . 102 TYR N . 50035 1 345 . 1 . 1 105 105 HIS H H 1 8.9100 . . 1 . . . . . 103 HIS H . 50035 1 346 . 1 . 1 105 105 HIS CA C 13 54.5500 . . 1 . . . . . 103 HIS CA . 50035 1 347 . 1 . 1 105 105 HIS CB C 13 34.9100 . . 1 . . . . . 103 HIS CB . 50035 1 348 . 1 . 1 105 105 HIS N N 15 119.0700 . . 1 . . . . . 103 HIS N . 50035 1 349 . 1 . 1 106 106 ALA H H 1 9.5200 . . 1 . . . . . 104 ALA H . 50035 1 350 . 1 . 1 106 106 ALA CA C 13 49.5400 . . 1 . . . . . 104 ALA CA . 50035 1 351 . 1 . 1 106 106 ALA CB C 13 19.7000 . . 1 . . . . . 104 ALA CB . 50035 1 352 . 1 . 1 106 106 ALA N N 15 130.1000 . . 1 . . . . . 104 ALA N . 50035 1 353 . 1 . 1 107 107 THR H H 1 8.5400 . . 1 . . . . . 105 THR H . 50035 1 354 . 1 . 1 107 107 THR CA C 13 62.2800 . . 1 . . . . . 105 THR CA . 50035 1 355 . 1 . 1 107 107 THR CB C 13 70.6900 . . 1 . . . . . 105 THR CB . 50035 1 356 . 1 . 1 107 107 THR N N 15 117.3500 . . 1 . . . . . 105 THR N . 50035 1 357 . 1 . 1 108 108 VAL H H 1 9.1300 . . 1 . . . . . 106 VAL H . 50035 1 358 . 1 . 1 108 108 VAL CA C 13 60.8400 . . 1 . . . . . 106 VAL CA . 50035 1 359 . 1 . 1 108 108 VAL CB C 13 32.4500 . . 1 . . . . . 106 VAL CB . 50035 1 360 . 1 . 1 108 108 VAL N N 15 130.1100 . . 1 . . . . . 106 VAL N . 50035 1 361 . 1 . 1 109 109 ARG H H 1 8.4900 . . 1 . . . . . 107 ARG H . 50035 1 362 . 1 . 1 109 109 ARG CA C 13 55.1900 . . 1 . . . . . 107 ARG CA . 50035 1 363 . 1 . 1 109 109 ARG CB C 13 31.5800 . . 1 . . . . . 107 ARG CB . 50035 1 364 . 1 . 1 109 109 ARG N N 15 127.3900 . . 1 . . . . . 107 ARG N . 50035 1 365 . 1 . 1 110 110 LEU H H 1 8.3000 . . 1 . . . . . 108 LEU H . 50035 1 366 . 1 . 1 110 110 LEU CA C 13 52.7200 . . 1 . . . . . 108 LEU CA . 50035 1 367 . 1 . 1 110 110 LEU CB C 13 42.1500 . . 1 . . . . . 108 LEU CB . 50035 1 368 . 1 . 1 110 110 LEU N N 15 126.2300 . . 1 . . . . . 108 LEU N . 50035 1 369 . 1 . 1 114 114 ALA H H 1 8.4100 . . 1 . . . . . 112 ALA H . 50035 1 370 . 1 . 1 114 114 ALA CA C 13 50.7000 . . 1 . . . . . 112 ALA CA . 50035 1 371 . 1 . 1 114 114 ALA CB C 13 21.4400 . . 1 . . . . . 112 ALA CB . 50035 1 372 . 1 . 1 114 114 ALA N N 15 124.4500 . . 1 . . . . . 112 ALA N . 50035 1 373 . 1 . 1 115 115 LEU H H 1 8.6400 . . 1 . . . . . 113 LEU H . 50035 1 374 . 1 . 1 115 115 LEU CA C 13 54.0300 . . 1 . . . . . 113 LEU CA . 50035 1 375 . 1 . 1 115 115 LEU CB C 13 45.3400 . . 1 . . . . . 113 LEU CB . 50035 1 376 . 1 . 1 115 115 LEU N N 15 123.2300 . . 1 . . . . . 113 LEU N . 50035 1 377 . 1 . 1 116 116 SER H H 1 8.4300 . . 1 . . . . . 114 SER H . 50035 1 378 . 1 . 1 116 116 SER CA C 13 56.6300 . . 1 . . . . . 114 SER CA . 50035 1 379 . 1 . 1 116 116 SER CB C 13 65.6200 . . 1 . . . . . 114 SER CB . 50035 1 380 . 1 . 1 116 116 SER N N 15 119.4600 . . 1 . . . . . 114 SER N . 50035 1 381 . 1 . 1 117 117 CYS H H 1 8.4200 . . 1 . . . . . 115 CYS H . 50035 1 382 . 1 . 1 117 117 CYS CA C 13 54.3200 . . 1 . . . . . 115 CYS CA . 50035 1 383 . 1 . 1 117 117 CYS CB C 13 48.6700 . . 1 . . . . . 115 CYS CB . 50035 1 384 . 1 . 1 117 117 CYS N N 15 119.9700 . . 1 . . . . . 115 CYS N . 50035 1 385 . 1 . 1 118 118 SER H H 1 8.2600 . . 1 . . . . . 116 SER H . 50035 1 386 . 1 . 1 118 118 SER CA C 13 58.6600 . . 1 . . . . . 116 SER CA . 50035 1 387 . 1 . 1 118 118 SER CB C 13 66.4900 . . 1 . . . . . 116 SER CB . 50035 1 388 . 1 . 1 118 118 SER N N 15 119.2200 . . 1 . . . . . 116 SER N . 50035 1 389 . 1 . 1 119 119 LEU H H 1 9.0900 . . 1 . . . . . 117 LEU H . 50035 1 390 . 1 . 1 119 119 LEU CA C 13 54.7500 . . 1 . . . . . 117 LEU CA . 50035 1 391 . 1 . 1 119 119 LEU CB C 13 46.0600 . . 1 . . . . . 117 LEU CB . 50035 1 392 . 1 . 1 119 119 LEU N N 15 122.3300 . . 1 . . . . . 117 LEU N . 50035 1 393 . 1 . 1 120 120 ARG H H 1 9.0600 . . 1 . . . . . 118 ARG H . 50035 1 394 . 1 . 1 120 120 ARG CA C 13 54.6100 . . 1 . . . . . 118 ARG CA . 50035 1 395 . 1 . 1 120 120 ARG CB C 13 32.8800 . . 1 . . . . . 118 ARG CB . 50035 1 396 . 1 . 1 120 120 ARG N N 15 121.1100 . . 1 . . . . . 118 ARG N . 50035 1 397 . 1 . 1 121 121 LEU H H 1 9.4700 . . 1 . . . . . 119 LEU H . 50035 1 398 . 1 . 1 121 121 LEU CA C 13 53.3000 . . 1 . . . . . 119 LEU CA . 50035 1 399 . 1 . 1 121 121 LEU CB C 13 44.4700 . . 1 . . . . . 119 LEU CB . 50035 1 400 . 1 . 1 121 121 LEU N N 15 127.3500 . . 1 . . . . . 119 LEU N . 50035 1 401 . 1 . 1 122 122 ARG H H 1 9.0200 . . 1 . . . . . 120 ARG H . 50035 1 402 . 1 . 1 122 122 ARG CA C 13 54.6100 . . 1 . . . . . 120 ARG CA . 50035 1 403 . 1 . 1 122 122 ARG CB C 13 31.4300 . . 1 . . . . . 120 ARG CB . 50035 1 404 . 1 . 1 122 122 ARG N N 15 129.7500 . . 1 . . . . . 120 ARG N . 50035 1 405 . 1 . 1 123 123 VAL H H 1 8.3200 . . 1 . . . . . 121 VAL H . 50035 1 406 . 1 . 1 123 123 VAL CA C 13 60.5500 . . 1 . . . . . 121 VAL CA . 50035 1 407 . 1 . 1 123 123 VAL CB C 13 34.0400 . . 1 . . . . . 121 VAL CB . 50035 1 408 . 1 . 1 123 123 VAL N N 15 121.7700 . . 1 . . . . . 121 VAL N . 50035 1 409 . 1 . 1 124 124 GLY H H 1 8.7600 . . 1 . . . . . 122 GLY H . 50035 1 410 . 1 . 1 124 124 GLY CA C 13 45.0500 . . 1 . . . . . 122 GLY CA . 50035 1 411 . 1 . 1 124 124 GLY N N 15 115.2700 . . 1 . . . . . 122 GLY N . 50035 1 412 . 1 . 1 125 125 GLN H H 1 8.1600 . . 1 . . . . . 123 GLN H . 50035 1 413 . 1 . 1 125 125 GLN CA C 13 57.6500 . . 1 . . . . . 123 GLN CA . 50035 1 414 . 1 . 1 125 125 GLN CB C 13 30.8200 . . 1 . . . . . 123 GLN CB . 50035 1 415 . 1 . 1 125 125 GLN N N 15 124.9800 . . 1 . . . . . 123 GLN N . 50035 1 stop_ save_