data_27241 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27241 _Entry.Title ; E.coli GcvH backbone chemical shift assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-31 _Entry.Accession_date 2017-08-31 _Entry.Last_release_date 2017-08-31 _Entry.Original_release_date 2017-08-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 Usha Yadav . . . . 27241 2 Monica Sundd . . . . 27241 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27241 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 27241 '15N chemical shifts' 120 27241 '1H chemical shifts' 120 27241 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-08-31 update BMRB 'update entry citation' 27241 1 . . 2018-01-29 2017-08-31 original author 'original release' 27241 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27298 'C8 bound E.coli GcvH backbone chemical shift assignments' 27241 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27241 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29335837 _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignments of the glycine cleavage complex H protein of Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 163 _Citation.Page_last 165 _Citation.Year 2018 _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 Usha Yadav . . . . 27241 1 2 Monica Sundd . . . . 27241 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27241 _Assembly.ID 1 _Assembly.Name 'glycine cleavage complex H protein' _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 'Glycine cleavage complex H protein polypeptide' 1 $Glycine_cleavage_complex_H_protein A . yes native no no . . . 27241 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Glycine_cleavage_complex_H_protein _Entity.Sf_category entity _Entity.Sf_framecode Glycine_cleavage_complex_H_protein _Entity.Entry_ID 27241 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Glycine_cleavage_complex_H_protein _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 ; SNVPAELKYSKEHEWLRKEA DGTYTVGITEHAQELLGDMV FVDLPEVGATVSAGDDCAVA ESVKAASDIYAPVSGEIVAV NDALSDSPELVNSEPYAGGW IFKIKASDESELESLLDATA YEALLEDE ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 SER . 27241 1 2 2 ASN . 27241 1 3 3 VAL . 27241 1 4 4 PRO . 27241 1 5 5 ALA . 27241 1 6 6 GLU . 27241 1 7 7 LEU . 27241 1 8 8 LYS . 27241 1 9 9 TYR . 27241 1 10 10 SER . 27241 1 11 11 LYS . 27241 1 12 12 GLU . 27241 1 13 13 HIS . 27241 1 14 14 GLU . 27241 1 15 15 TRP . 27241 1 16 16 LEU . 27241 1 17 17 ARG . 27241 1 18 18 LYS . 27241 1 19 19 GLU . 27241 1 20 20 ALA . 27241 1 21 21 ASP . 27241 1 22 22 GLY . 27241 1 23 23 THR . 27241 1 24 24 TYR . 27241 1 25 25 THR . 27241 1 26 26 VAL . 27241 1 27 27 GLY . 27241 1 28 28 ILE . 27241 1 29 29 THR . 27241 1 30 30 GLU . 27241 1 31 31 HIS . 27241 1 32 32 ALA . 27241 1 33 33 GLN . 27241 1 34 34 GLU . 27241 1 35 35 LEU . 27241 1 36 36 LEU . 27241 1 37 37 GLY . 27241 1 38 38 ASP . 27241 1 39 39 MET . 27241 1 40 40 VAL . 27241 1 41 41 PHE . 27241 1 42 42 VAL . 27241 1 43 43 ASP . 27241 1 44 44 LEU . 27241 1 45 45 PRO . 27241 1 46 46 GLU . 27241 1 47 47 VAL . 27241 1 48 48 GLY . 27241 1 49 49 ALA . 27241 1 50 50 THR . 27241 1 51 51 VAL . 27241 1 52 52 SER . 27241 1 53 53 ALA . 27241 1 54 54 GLY . 27241 1 55 55 ASP . 27241 1 56 56 ASP . 27241 1 57 57 CYS . 27241 1 58 58 ALA . 27241 1 59 59 VAL . 27241 1 60 60 ALA . 27241 1 61 61 GLU . 27241 1 62 62 SER . 27241 1 63 63 VAL . 27241 1 64 64 LYS . 27241 1 65 65 ALA . 27241 1 66 66 ALA . 27241 1 67 67 SER . 27241 1 68 68 ASP . 27241 1 69 69 ILE . 27241 1 70 70 TYR . 27241 1 71 71 ALA . 27241 1 72 72 PRO . 27241 1 73 73 VAL . 27241 1 74 74 SER . 27241 1 75 75 GLY . 27241 1 76 76 GLU . 27241 1 77 77 ILE . 27241 1 78 78 VAL . 27241 1 79 79 ALA . 27241 1 80 80 VAL . 27241 1 81 81 ASN . 27241 1 82 82 ASP . 27241 1 83 83 ALA . 27241 1 84 84 LEU . 27241 1 85 85 SER . 27241 1 86 86 ASP . 27241 1 87 87 SER . 27241 1 88 88 PRO . 27241 1 89 89 GLU . 27241 1 90 90 LEU . 27241 1 91 91 VAL . 27241 1 92 92 ASN . 27241 1 93 93 SER . 27241 1 94 94 GLU . 27241 1 95 95 PRO . 27241 1 96 96 TYR . 27241 1 97 97 ALA . 27241 1 98 98 GLY . 27241 1 99 99 GLY . 27241 1 100 100 TRP . 27241 1 101 101 ILE . 27241 1 102 102 PHE . 27241 1 103 103 LYS . 27241 1 104 104 ILE . 27241 1 105 105 LYS . 27241 1 106 106 ALA . 27241 1 107 107 SER . 27241 1 108 108 ASP . 27241 1 109 109 GLU . 27241 1 110 110 SER . 27241 1 111 111 GLU . 27241 1 112 112 LEU . 27241 1 113 113 GLU . 27241 1 114 114 SER . 27241 1 115 115 LEU . 27241 1 116 116 LEU . 27241 1 117 117 ASP . 27241 1 118 118 ALA . 27241 1 119 119 THR . 27241 1 120 120 ALA . 27241 1 121 121 TYR . 27241 1 122 122 GLU . 27241 1 123 123 ALA . 27241 1 124 124 LEU . 27241 1 125 125 LEU . 27241 1 126 126 GLU . 27241 1 127 127 ASP . 27241 1 128 128 GLU . 27241 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 . SER 1 1 27241 1 . ASN 2 2 27241 1 . VAL 3 3 27241 1 . PRO 4 4 27241 1 . ALA 5 5 27241 1 . GLU 6 6 27241 1 . LEU 7 7 27241 1 . LYS 8 8 27241 1 . TYR 9 9 27241 1 . SER 10 10 27241 1 . LYS 11 11 27241 1 . GLU 12 12 27241 1 . HIS 13 13 27241 1 . GLU 14 14 27241 1 . TRP 15 15 27241 1 . LEU 16 16 27241 1 . ARG 17 17 27241 1 . LYS 18 18 27241 1 . GLU 19 19 27241 1 . ALA 20 20 27241 1 . ASP 21 21 27241 1 . GLY 22 22 27241 1 . THR 23 23 27241 1 . TYR 24 24 27241 1 . THR 25 25 27241 1 . VAL 26 26 27241 1 . GLY 27 27 27241 1 . ILE 28 28 27241 1 . THR 29 29 27241 1 . GLU 30 30 27241 1 . HIS 31 31 27241 1 . ALA 32 32 27241 1 . GLN 33 33 27241 1 . GLU 34 34 27241 1 . LEU 35 35 27241 1 . LEU 36 36 27241 1 . GLY 37 37 27241 1 . ASP 38 38 27241 1 . MET 39 39 27241 1 . VAL 40 40 27241 1 . PHE 41 41 27241 1 . VAL 42 42 27241 1 . ASP 43 43 27241 1 . LEU 44 44 27241 1 . PRO 45 45 27241 1 . GLU 46 46 27241 1 . VAL 47 47 27241 1 . GLY 48 48 27241 1 . ALA 49 49 27241 1 . THR 50 50 27241 1 . VAL 51 51 27241 1 . SER 52 52 27241 1 . ALA 53 53 27241 1 . GLY 54 54 27241 1 . ASP 55 55 27241 1 . ASP 56 56 27241 1 . CYS 57 57 27241 1 . ALA 58 58 27241 1 . VAL 59 59 27241 1 . ALA 60 60 27241 1 . GLU 61 61 27241 1 . SER 62 62 27241 1 . VAL 63 63 27241 1 . LYS 64 64 27241 1 . ALA 65 65 27241 1 . ALA 66 66 27241 1 . SER 67 67 27241 1 . ASP 68 68 27241 1 . ILE 69 69 27241 1 . TYR 70 70 27241 1 . ALA 71 71 27241 1 . PRO 72 72 27241 1 . VAL 73 73 27241 1 . SER 74 74 27241 1 . GLY 75 75 27241 1 . GLU 76 76 27241 1 . ILE 77 77 27241 1 . VAL 78 78 27241 1 . ALA 79 79 27241 1 . VAL 80 80 27241 1 . ASN 81 81 27241 1 . ASP 82 82 27241 1 . ALA 83 83 27241 1 . LEU 84 84 27241 1 . SER 85 85 27241 1 . ASP 86 86 27241 1 . SER 87 87 27241 1 . PRO 88 88 27241 1 . GLU 89 89 27241 1 . LEU 90 90 27241 1 . VAL 91 91 27241 1 . ASN 92 92 27241 1 . SER 93 93 27241 1 . GLU 94 94 27241 1 . PRO 95 95 27241 1 . TYR 96 96 27241 1 . ALA 97 97 27241 1 . GLY 98 98 27241 1 . GLY 99 99 27241 1 . TRP 100 100 27241 1 . ILE 101 101 27241 1 . PHE 102 102 27241 1 . LYS 103 103 27241 1 . ILE 104 104 27241 1 . LYS 105 105 27241 1 . ALA 106 106 27241 1 . SER 107 107 27241 1 . ASP 108 108 27241 1 . GLU 109 109 27241 1 . SER 110 110 27241 1 . GLU 111 111 27241 1 . LEU 112 112 27241 1 . GLU 113 113 27241 1 . SER 114 114 27241 1 . LEU 115 115 27241 1 . LEU 116 116 27241 1 . ASP 117 117 27241 1 . ALA 118 118 27241 1 . THR 119 119 27241 1 . ALA 120 120 27241 1 . TYR 121 121 27241 1 . GLU 122 122 27241 1 . ALA 123 123 27241 1 . LEU 124 124 27241 1 . LEU 125 125 27241 1 . GLU 126 126 27241 1 . ASP 127 127 27241 1 . GLU 128 128 27241 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27241 _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 $Glycine_cleavage_complex_H_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27241 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27241 _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 $Glycine_cleavage_complex_H_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27241 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27241 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Glycine cleavage complex H protein' '[U-99% 13C; U-99% 15N]' . . 1 $Glycine_cleavage_complex_H_protein . . 2 . . mM . . . . 27241 1 2 'Tris HCl buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 27241 1 3 'soduim chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27241 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 27241 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 27241 1 pH 7.8 . pH 27241 1 pressure 1 . atm 27241 1 temperature 293 . K 27241 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27241 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27241 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27241 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27241 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27241 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27241 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27241 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27241 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27241 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 glucose 'methyl protons' . . . . ppm 0.00 internal direct 0.251449530 . . . . . 27241 1 H 1 water 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27241 1 N 15 '[15N] ammonium chloride' 'methyl protons' . . . . ppm 0.00 internal direct 0.101329118 . . . . . 27241 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27241 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27241 1 2 '3D CBCA(CO)NH' . . . 27241 1 3 '3D HNCACB' . . . 27241 1 4 '3D HNCO' . . . 27241 1 5 '3D HNCA' . . . 27241 1 6 '3D C(CO)NH' . . . 27241 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 SER H H 1 8.286 0.020 . 1 . . . . . 1 SER H . 27241 1 2 . 1 1 1 1 SER C C 13 174.071 0.3 . 1 . . . . . 1 SER C . 27241 1 3 . 1 1 1 1 SER CA C 13 58.315 0.3 . 1 . . . . . 1 SER CA . 27241 1 4 . 1 1 1 1 SER CB C 13 64.094 0.3 . 1 . . . . . 1 SER CB . 27241 1 5 . 1 1 1 1 SER N N 15 117.988 0.3 . 1 . . . . . 1 SER N . 27241 1 6 . 1 1 2 2 ASN H H 1 8.516 0.020 . 1 . . . . . 2 ASN H . 27241 1 7 . 1 1 2 2 ASN C C 13 175.480 0.3 . 1 . . . . . 2 ASN C . 27241 1 8 . 1 1 2 2 ASN CA C 13 54.194 0.3 . 1 . . . . . 2 ASN CA . 27241 1 9 . 1 1 2 2 ASN CB C 13 39.246 0.3 . 1 . . . . . 2 ASN CB . 27241 1 10 . 1 1 2 2 ASN N N 15 121.185 0.3 . 1 . . . . . 2 ASN N . 27241 1 11 . 1 1 3 3 VAL H H 1 8.526 0.020 . 1 . . . . . 3 VAL H . 27241 1 12 . 1 1 3 3 VAL C C 13 172.283 0.3 . 1 . . . . . 3 VAL C . 27241 1 13 . 1 1 3 3 VAL CA C 13 59.669 0.3 . 1 . . . . . 3 VAL CA . 27241 1 14 . 1 1 3 3 VAL CB C 13 32.035 0.3 . 1 . . . . . 3 VAL CB . 27241 1 15 . 1 1 3 3 VAL N N 15 126.193 0.3 . 1 . . . . . 3 VAL N . 27241 1 16 . 1 1 4 4 PRO C C 13 179.575 0.3 . 1 . . . . . 4 PRO C . 27241 1 17 . 1 1 4 4 PRO CA C 13 64.159 0.3 . 1 . . . . . 4 PRO CA . 27241 1 18 . 1 1 4 4 PRO CB C 13 31.896 0.3 . 1 . . . . . 4 PRO CB . 27241 1 19 . 1 1 5 5 ALA H H 1 8.554 0.020 . 1 . . . . . 5 ALA H . 27241 1 20 . 1 1 5 5 ALA C C 13 179.495 0.3 . 1 . . . . . 5 ALA C . 27241 1 21 . 1 1 5 5 ALA CA C 13 54.941 0.3 . 1 . . . . . 5 ALA CA . 27241 1 22 . 1 1 5 5 ALA CB C 13 18.817 0.3 . 1 . . . . . 5 ALA CB . 27241 1 23 . 1 1 5 5 ALA N N 15 127.550 0.3 . 1 . . . . . 5 ALA N . 27241 1 24 . 1 1 6 6 GLU H H 1 9.477 0.020 . 1 . . . . . 6 GLU H . 27241 1 25 . 1 1 6 6 GLU C C 13 176.597 0.3 . 1 . . . . . 6 GLU C . 27241 1 26 . 1 1 6 6 GLU CA C 13 57.308 0.3 . 1 . . . . . 6 GLU CA . 27241 1 27 . 1 1 6 6 GLU CB C 13 28.657 0.3 . 1 . . . . . 6 GLU CB . 27241 1 28 . 1 1 6 6 GLU N N 15 116.916 0.3 . 1 . . . . . 6 GLU N . 27241 1 29 . 1 1 7 7 LEU H H 1 6.502 0.020 . 1 . . . . . 7 LEU H . 27241 1 30 . 1 1 7 7 LEU C C 13 175.533 0.3 . 1 . . . . . 7 LEU C . 27241 1 31 . 1 1 7 7 LEU CA C 13 54.318 0.3 . 1 . . . . . 7 LEU CA . 27241 1 32 . 1 1 7 7 LEU CB C 13 41.363 0.3 . 1 . . . . . 7 LEU CB . 27241 1 33 . 1 1 7 7 LEU N N 15 120.236 0.3 . 1 . . . . . 7 LEU N . 27241 1 34 . 1 1 8 8 LYS H H 1 7.739 0.020 . 1 . . . . . 8 LYS H . 27241 1 35 . 1 1 8 8 LYS C C 13 175.427 0.3 . 1 . . . . . 8 LYS C . 27241 1 36 . 1 1 8 8 LYS CA C 13 53.889 0.3 . 1 . . . . . 8 LYS CA . 27241 1 37 . 1 1 8 8 LYS CB C 13 35.467 0.3 . 1 . . . . . 8 LYS CB . 27241 1 38 . 1 1 8 8 LYS N N 15 116.706 0.3 . 1 . . . . . 8 LYS N . 27241 1 39 . 1 1 9 9 TYR H H 1 9.153 0.020 . 1 . . . . . 9 TYR H . 27241 1 40 . 1 1 9 9 TYR C C 13 175.028 0.3 . 1 . . . . . 9 TYR C . 27241 1 41 . 1 1 9 9 TYR CA C 13 57.681 0.3 . 1 . . . . . 9 TYR CA . 27241 1 42 . 1 1 9 9 TYR CB C 13 43.605 0.3 . 1 . . . . . 9 TYR CB . 27241 1 43 . 1 1 9 9 TYR N N 15 117.227 0.3 . 1 . . . . . 9 TYR N . 27241 1 44 . 1 1 10 10 SER H H 1 9.080 0.020 . 1 . . . . . 10 SER H . 27241 1 45 . 1 1 10 10 SER C C 13 175.666 0.3 . 1 . . . . . 10 SER C . 27241 1 46 . 1 1 10 10 SER CA C 13 54.816 0.3 . 1 . . . . . 10 SER CA . 27241 1 47 . 1 1 10 10 SER CB C 13 68.021 0.3 . 1 . . . . . 10 SER CB . 27241 1 48 . 1 1 10 10 SER N N 15 116.799 0.3 . 1 . . . . . 10 SER N . 27241 1 49 . 1 1 11 11 LYS H H 1 8.924 0.020 . 1 . . . . . 11 LYS H . 27241 1 50 . 1 1 11 11 LYS C C 13 175.613 0.3 . 1 . . . . . 11 LYS C . 27241 1 51 . 1 1 11 11 LYS CA C 13 57.806 0.3 . 1 . . . . . 11 LYS CA . 27241 1 52 . 1 1 11 11 LYS CB C 13 31.522 0.3 . 1 . . . . . 11 LYS CB . 27241 1 53 . 1 1 11 11 LYS N N 15 119.261 0.3 . 1 . . . . . 11 LYS N . 27241 1 54 . 1 1 12 12 GLU H H 1 7.408 0.020 . 1 . . . . . 12 GLU H . 27241 1 55 . 1 1 12 12 GLU C C 13 175.070 0.3 . 1 . . . . . 12 GLU C . 27241 1 56 . 1 1 12 12 GLU CA C 13 55.967 0.3 . 1 . . . . . 12 GLU CA . 27241 1 57 . 1 1 12 12 GLU CB C 13 27.068 0.3 . 1 . . . . . 12 GLU CB . 27241 1 58 . 1 1 12 12 GLU N N 15 116.673 0.3 . 1 . . . . . 12 GLU N . 27241 1 59 . 1 1 13 13 HIS C C 13 177.129 0.3 . 1 . . . . . 13 HIS C . 27241 1 60 . 1 1 13 13 HIS CA C 13 54.816 0.3 . 1 . . . . . 13 HIS CA . 27241 1 61 . 1 1 13 13 HIS CB C 13 31.896 0.3 . 1 . . . . . 13 HIS CB . 27241 1 62 . 1 1 14 14 GLU H H 1 8.309 0.020 . 1 . . . . . 14 GLU H . 27241 1 63 . 1 1 14 14 GLU C C 13 174.842 0.3 . 1 . . . . . 14 GLU C . 27241 1 64 . 1 1 14 14 GLU CA C 13 57.308 0.3 . 1 . . . . . 14 GLU CA . 27241 1 65 . 1 1 14 14 GLU CB C 13 30.401 0.3 . 1 . . . . . 14 GLU CB . 27241 1 66 . 1 1 14 14 GLU N N 15 121.291 0.3 . 1 . . . . . 14 GLU N . 27241 1 67 . 1 1 15 15 TRP H H 1 8.167 0.020 . 1 . . . . . 15 TRP H . 27241 1 68 . 1 1 15 15 TRP C C 13 174.390 0.3 . 1 . . . . . 15 TRP C . 27241 1 69 . 1 1 15 15 TRP CA C 13 53.197 0.3 . 1 . . . . . 15 TRP CA . 27241 1 70 . 1 1 15 15 TRP CB C 13 34.886 0.3 . 1 . . . . . 15 TRP CB . 27241 1 71 . 1 1 15 15 TRP N N 15 117.174 0.3 . 1 . . . . . 15 TRP N . 27241 1 72 . 1 1 16 16 LEU H H 1 8.829 0.020 . 1 . . . . . 16 LEU H . 27241 1 73 . 1 1 16 16 LEU C C 13 176.331 0.3 . 1 . . . . . 16 LEU C . 27241 1 74 . 1 1 16 16 LEU CA C 13 54.692 0.3 . 1 . . . . . 16 LEU CA . 27241 1 75 . 1 1 16 16 LEU CB C 13 46.595 0.3 . 1 . . . . . 16 LEU CB . 27241 1 76 . 1 1 16 16 LEU N N 15 116.948 0.3 . 1 . . . . . 16 LEU N . 27241 1 77 . 1 1 17 17 ARG H H 1 9.646 0.020 . 1 . . . . . 17 ARG H . 27241 1 78 . 1 1 17 17 ARG C C 13 174.948 0.3 . 1 . . . . . 17 ARG C . 27241 1 79 . 1 1 17 17 ARG CA C 13 54.567 0.3 . 1 . . . . . 17 ARG CA . 27241 1 80 . 1 1 17 17 ARG CB C 13 36.256 0.3 . 1 . . . . . 17 ARG CB . 27241 1 81 . 1 1 17 17 ARG N N 15 126.741 0.3 . 1 . . . . . 17 ARG N . 27241 1 82 . 1 1 18 18 LYS H H 1 8.446 0.020 . 1 . . . . . 18 LYS H . 27241 1 83 . 1 1 18 18 LYS C C 13 176.251 0.3 . 1 . . . . . 18 LYS C . 27241 1 84 . 1 1 18 18 LYS CA C 13 57.432 0.3 . 1 . . . . . 18 LYS CA . 27241 1 85 . 1 1 18 18 LYS CB C 13 32.643 0.3 . 1 . . . . . 18 LYS CB . 27241 1 86 . 1 1 18 18 LYS N N 15 129.606 0.3 . 1 . . . . . 18 LYS N . 27241 1 87 . 1 1 19 19 GLU H H 1 8.694 0.020 . 1 . . . . . 19 GLU H . 27241 1 88 . 1 1 19 19 GLU C C 13 178.910 0.3 . 1 . . . . . 19 GLU C . 27241 1 89 . 1 1 19 19 GLU CA C 13 54.443 0.3 . 1 . . . . . 19 GLU CA . 27241 1 90 . 1 1 19 19 GLU CB C 13 29.903 0.3 . 1 . . . . . 19 GLU CB . 27241 1 91 . 1 1 19 19 GLU N N 15 128.392 0.3 . 1 . . . . . 19 GLU N . 27241 1 92 . 1 1 20 20 ALA H H 1 8.985 0.020 . 1 . . . . . 20 ALA H . 27241 1 93 . 1 1 20 20 ALA C C 13 178.378 0.3 . 1 . . . . . 20 ALA C . 27241 1 94 . 1 1 20 20 ALA CA C 13 54.692 0.3 . 1 . . . . . 20 ALA CA . 27241 1 95 . 1 1 20 20 ALA CB C 13 17.945 0.3 . 1 . . . . . 20 ALA CB . 27241 1 96 . 1 1 20 20 ALA N N 15 124.743 0.3 . 1 . . . . . 20 ALA N . 27241 1 97 . 1 1 21 21 ASP H H 1 7.599 0.020 . 1 . . . . . 21 ASP H . 27241 1 98 . 1 1 21 21 ASP C C 13 177.421 0.3 . 1 . . . . . 21 ASP C . 27241 1 99 . 1 1 21 21 ASP CA C 13 53.197 0.3 . 1 . . . . . 21 ASP CA . 27241 1 100 . 1 1 21 21 ASP CB C 13 39.744 0.3 . 1 . . . . . 21 ASP CB . 27241 1 101 . 1 1 21 21 ASP N N 15 114.930 0.3 . 1 . . . . . 21 ASP N . 27241 1 102 . 1 1 22 22 GLY H H 1 7.940 0.020 . 1 . . . . . 22 GLY H . 27241 1 103 . 1 1 22 22 GLY C C 13 174.789 0.3 . 1 . . . . . 22 GLY C . 27241 1 104 . 1 1 22 22 GLY CA C 13 45.598 0.3 . 1 . . . . . 22 GLY CA . 27241 1 105 . 1 1 22 22 GLY N N 15 108.198 0.3 . 1 . . . . . 22 GLY N . 27241 1 106 . 1 1 23 23 THR H H 1 7.531 0.020 . 1 . . . . . 23 THR H . 27241 1 107 . 1 1 23 23 THR C C 13 171.651 0.3 . 1 . . . . . 23 THR C . 27241 1 108 . 1 1 23 23 THR CA C 13 62.290 0.3 . 1 . . . . . 23 THR CA . 27241 1 109 . 1 1 23 23 THR CB C 13 71.259 0.3 . 1 . . . . . 23 THR CB . 27241 1 110 . 1 1 23 23 THR N N 15 113.027 0.3 . 1 . . . . . 23 THR N . 27241 1 111 . 1 1 24 24 TYR H H 1 8.791 0.020 . 1 . . . . . 24 TYR H . 27241 1 112 . 1 1 24 24 TYR C C 13 176.145 0.3 . 1 . . . . . 24 TYR C . 27241 1 113 . 1 1 24 24 TYR CA C 13 56.934 0.3 . 1 . . . . . 24 TYR CA . 27241 1 114 . 1 1 24 24 TYR CB C 13 41.239 0.3 . 1 . . . . . 24 TYR CB . 27241 1 115 . 1 1 24 24 TYR N N 15 116.087 0.3 . 1 . . . . . 24 TYR N . 27241 1 116 . 1 1 25 25 THR H H 1 9.175 0.020 . 1 . . . . . 25 THR H . 27241 1 117 . 1 1 25 25 THR C C 13 172.502 0.3 . 1 . . . . . 25 THR C . 27241 1 118 . 1 1 25 25 THR CA C 13 63.536 0.3 . 1 . . . . . 25 THR CA . 27241 1 119 . 1 1 25 25 THR CB C 13 68.768 0.3 . 1 . . . . . 25 THR CB . 27241 1 120 . 1 1 25 25 THR N N 15 123.374 0.3 . 1 . . . . . 25 THR N . 27241 1 121 . 1 1 26 26 VAL H H 1 8.742 0.020 . 1 . . . . . 26 VAL H . 27241 1 122 . 1 1 26 26 VAL C C 13 175.028 0.3 . 1 . . . . . 26 VAL C . 27241 1 123 . 1 1 26 26 VAL CA C 13 59.550 0.3 . 1 . . . . . 26 VAL CA . 27241 1 124 . 1 1 26 26 VAL CB C 13 33.299 0.3 . 1 . . . . . 26 VAL CB . 27241 1 125 . 1 1 26 26 VAL N N 15 126.270 0.3 . 1 . . . . . 26 VAL N . 27241 1 126 . 1 1 27 27 GLY H H 1 6.063 0.020 . 1 . . . . . 27 GLY H . 27241 1 127 . 1 1 27 27 GLY C C 13 171.917 0.3 . 1 . . . . . 27 GLY C . 27241 1 128 . 1 1 27 27 GLY CA C 13 44.228 0.3 . 1 . . . . . 27 GLY CA . 27241 1 129 . 1 1 27 27 GLY N N 15 114.133 0.3 . 1 . . . . . 27 GLY N . 27241 1 130 . 1 1 28 28 ILE H H 1 9.526 0.020 . 1 . . . . . 28 ILE H . 27241 1 131 . 1 1 28 28 ILE C C 13 175.267 0.3 . 1 . . . . . 28 ILE C . 27241 1 132 . 1 1 28 28 ILE CA C 13 59.799 0.3 . 1 . . . . . 28 ILE CA . 27241 1 133 . 1 1 28 28 ILE CB C 13 39.246 0.3 . 1 . . . . . 28 ILE CB . 27241 1 134 . 1 1 28 28 ILE N N 15 113.733 0.3 . 1 . . . . . 28 ILE N . 27241 1 135 . 1 1 29 29 THR H H 1 7.718 0.020 . 1 . . . . . 29 THR H . 27241 1 136 . 1 1 29 29 THR C C 13 174.656 0.3 . 1 . . . . . 29 THR C . 27241 1 137 . 1 1 29 29 THR CA C 13 61.169 0.3 . 1 . . . . . 29 THR CA . 27241 1 138 . 1 1 29 29 THR CB C 13 71.758 0.3 . 1 . . . . . 29 THR CB . 27241 1 139 . 1 1 29 29 THR N N 15 107.083 0.3 . 1 . . . . . 29 THR N . 27241 1 140 . 1 1 30 30 GLU H H 1 7.647 0.020 . 1 . . . . . 30 GLU H . 27241 1 141 . 1 1 30 30 GLU C C 13 178.564 0.3 . 1 . . . . . 30 GLU C . 27241 1 142 . 1 1 30 30 GLU CA C 13 59.924 0.3 . 1 . . . . . 30 GLU CA . 27241 1 143 . 1 1 30 30 GLU CB C 13 29.405 0.3 . 1 . . . . . 30 GLU CB . 27241 1 144 . 1 1 30 30 GLU N N 15 118.054 0.3 . 1 . . . . . 30 GLU N . 27241 1 145 . 1 1 31 31 HIS H H 1 8.606 0.020 . 1 . . . . . 31 HIS H . 27241 1 146 . 1 1 31 31 HIS C C 13 176.411 0.3 . 1 . . . . . 31 HIS C . 27241 1 147 . 1 1 31 31 HIS CA C 13 59.669 0.3 . 1 . . . . . 31 HIS CA . 27241 1 148 . 1 1 31 31 HIS CB C 13 30.771 0.3 . 1 . . . . . 31 HIS CB . 27241 1 149 . 1 1 31 31 HIS N N 15 118.674 0.3 . 1 . . . . . 31 HIS N . 27241 1 150 . 1 1 32 32 ALA H H 1 7.340 0.020 . 1 . . . . . 32 ALA H . 27241 1 151 . 1 1 32 32 ALA C C 13 181.197 0.3 . 1 . . . . . 32 ALA C . 27241 1 152 . 1 1 32 32 ALA CA C 13 55.063 0.3 . 1 . . . . . 32 ALA CA . 27241 1 153 . 1 1 32 32 ALA CB C 13 19.392 0.3 . 1 . . . . . 32 ALA CB . 27241 1 154 . 1 1 32 32 ALA N N 15 119.802 0.3 . 1 . . . . . 32 ALA N . 27241 1 155 . 1 1 33 33 GLN H H 1 8.252 0.020 . 1 . . . . . 33 GLN H . 27241 1 156 . 1 1 33 33 GLN C C 13 176.517 0.3 . 1 . . . . . 33 GLN C . 27241 1 157 . 1 1 33 33 GLN CA C 13 58.947 0.3 . 1 . . . . . 33 GLN CA . 27241 1 158 . 1 1 33 33 GLN CB C 13 25.714 0.3 . 1 . . . . . 33 GLN CB . 27241 1 159 . 1 1 33 33 GLN N N 15 115.722 0.3 . 1 . . . . . 33 GLN N . 27241 1 160 . 1 1 34 34 GLU H H 1 7.639 0.020 . 1 . . . . . 34 GLU H . 27241 1 161 . 1 1 34 34 GLU C C 13 179.070 0.3 . 1 . . . . . 34 GLU C . 27241 1 162 . 1 1 34 34 GLU CA C 13 59.218 0.3 . 1 . . . . . 34 GLU CA . 27241 1 163 . 1 1 34 34 GLU CB C 13 28.965 0.3 . 1 . . . . . 34 GLU CB . 27241 1 164 . 1 1 34 34 GLU N N 15 123.917 0.3 . 1 . . . . . 34 GLU N . 27241 1 165 . 1 1 35 35 LEU H H 1 7.263 0.020 . 1 . . . . . 35 LEU H . 27241 1 166 . 1 1 35 35 LEU C C 13 179.681 0.3 . 1 . . . . . 35 LEU C . 27241 1 167 . 1 1 35 35 LEU CA C 13 57.411 0.3 . 1 . . . . . 35 LEU CA . 27241 1 168 . 1 1 35 35 LEU CB C 13 42.059 0.3 . 1 . . . . . 35 LEU CB . 27241 1 169 . 1 1 35 35 LEU N N 15 118.693 0.3 . 1 . . . . . 35 LEU N . 27241 1 170 . 1 1 36 36 LEU H H 1 7.226 0.020 . 1 . . . . . 36 LEU H . 27241 1 171 . 1 1 36 36 LEU C C 13 179.149 0.3 . 1 . . . . . 36 LEU C . 27241 1 172 . 1 1 36 36 LEU CA C 13 57.502 0.3 . 1 . . . . . 36 LEU CA . 27241 1 173 . 1 1 36 36 LEU CB C 13 43.053 0.3 . 1 . . . . . 36 LEU CB . 27241 1 174 . 1 1 36 36 LEU N N 15 119.440 0.3 . 1 . . . . . 36 LEU N . 27241 1 175 . 1 1 37 37 GLY H H 1 7.846 0.020 . 1 . . . . . 37 GLY H . 27241 1 176 . 1 1 37 37 GLY C C 13 173.672 0.3 . 1 . . . . . 37 GLY C . 27241 1 177 . 1 1 37 37 GLY CA C 13 44.046 0.3 . 1 . . . . . 37 GLY CA . 27241 1 178 . 1 1 37 37 GLY N N 15 107.996 0.3 . 1 . . . . . 37 GLY N . 27241 1 179 . 1 1 38 38 ASP H H 1 7.853 0.020 . 1 . . . . . 38 ASP H . 27241 1 180 . 1 1 38 38 ASP C C 13 176.756 0.3 . 1 . . . . . 38 ASP C . 27241 1 181 . 1 1 38 38 ASP CA C 13 55.967 0.3 . 1 . . . . . 38 ASP CA . 27241 1 182 . 1 1 38 38 ASP CB C 13 40.795 0.3 . 1 . . . . . 38 ASP CB . 27241 1 183 . 1 1 38 38 ASP N N 15 118.032 0.3 . 1 . . . . . 38 ASP N . 27241 1 184 . 1 1 39 39 MET H H 1 9.197 0.020 . 1 . . . . . 39 MET H . 27241 1 185 . 1 1 39 39 MET C C 13 176.916 0.3 . 1 . . . . . 39 MET C . 27241 1 186 . 1 1 39 39 MET CA C 13 55.063 0.3 . 1 . . . . . 39 MET CA . 27241 1 187 . 1 1 39 39 MET CB C 13 31.945 0.3 . 1 . . . . . 39 MET CB . 27241 1 188 . 1 1 39 39 MET N N 15 126.629 0.3 . 1 . . . . . 39 MET N . 27241 1 189 . 1 1 40 40 VAL H H 1 9.270 0.020 . 1 . . . . . 40 VAL H . 27241 1 190 . 1 1 40 40 VAL C C 13 176.411 0.3 . 1 . . . . . 40 VAL C . 27241 1 191 . 1 1 40 40 VAL CA C 13 62.469 0.3 . 1 . . . . . 40 VAL CA . 27241 1 192 . 1 1 40 40 VAL CB C 13 33.841 0.3 . 1 . . . . . 40 VAL CB . 27241 1 193 . 1 1 40 40 VAL N N 15 118.693 0.3 . 1 . . . . . 40 VAL N . 27241 1 194 . 1 1 41 41 PHE H H 1 8.187 0.020 . 1 . . . . . 41 PHE H . 27241 1 195 . 1 1 41 41 PHE C C 13 172.396 0.3 . 1 . . . . . 41 PHE C . 27241 1 196 . 1 1 41 41 PHE CA C 13 57.953 0.3 . 1 . . . . . 41 PHE CA . 27241 1 197 . 1 1 41 41 PHE CB C 13 42.059 0.3 . 1 . . . . . 41 PHE CB . 27241 1 198 . 1 1 41 41 PHE N N 15 122.062 0.3 . 1 . . . . . 41 PHE N . 27241 1 199 . 1 1 42 42 VAL H H 1 8.009 0.020 . 1 . . . . . 42 VAL H . 27241 1 200 . 1 1 42 42 VAL C C 13 172.741 0.3 . 1 . . . . . 42 VAL C . 27241 1 201 . 1 1 42 42 VAL CA C 13 60.843 0.3 . 1 . . . . . 42 VAL CA . 27241 1 202 . 1 1 42 42 VAL CB C 13 33.932 0.3 . 1 . . . . . 42 VAL CB . 27241 1 203 . 1 1 42 42 VAL N N 15 126.760 0.3 . 1 . . . . . 42 VAL N . 27241 1 204 . 1 1 43 43 ASP H H 1 8.775 0.020 . 1 . . . . . 43 ASP H . 27241 1 205 . 1 1 43 43 ASP C C 13 175.826 0.3 . 1 . . . . . 43 ASP C . 27241 1 206 . 1 1 43 43 ASP CA C 13 52.806 0.3 . 1 . . . . . 43 ASP CA . 27241 1 207 . 1 1 43 43 ASP CB C 13 42.691 0.3 . 1 . . . . . 43 ASP CB . 27241 1 208 . 1 1 43 43 ASP N N 15 128.200 0.3 . 1 . . . . . 43 ASP N . 27241 1 209 . 1 1 44 44 LEU H H 1 7.796 0.020 . 1 . . . . . 44 LEU H . 27241 1 210 . 1 1 44 44 LEU C C 13 175.012 0.3 . 1 . . . . . 44 LEU C . 27241 1 211 . 1 1 44 44 LEU CA C 13 52.354 0.3 . 1 . . . . . 44 LEU CA . 27241 1 212 . 1 1 44 44 LEU CB C 13 42.150 0.3 . 1 . . . . . 44 LEU CB . 27241 1 213 . 1 1 44 44 LEU N N 15 125.023 0.3 . 1 . . . . . 44 LEU N . 27241 1 214 . 1 1 45 45 PRO C C 13 174.204 0.3 . 1 . . . . . 45 PRO C . 27241 1 215 . 1 1 45 45 PRO CA C 13 62.017 0.3 . 1 . . . . . 45 PRO CA . 27241 1 216 . 1 1 45 45 PRO CB C 13 31.584 0.3 . 1 . . . . . 45 PRO CB . 27241 1 217 . 1 1 46 46 GLU H H 1 8.110 0.020 . 1 . . . . . 46 GLU H . 27241 1 218 . 1 1 46 46 GLU C C 13 176.490 0.3 . 1 . . . . . 46 GLU C . 27241 1 219 . 1 1 46 46 GLU CA C 13 55.605 0.3 . 1 . . . . . 46 GLU CA . 27241 1 220 . 1 1 46 46 GLU CB C 13 30.680 0.3 . 1 . . . . . 46 GLU CB . 27241 1 221 . 1 1 46 46 GLU N N 15 118.772 0.3 . 1 . . . . . 46 GLU N . 27241 1 222 . 1 1 47 47 VAL H H 1 8.356 0.020 . 1 . . . . . 47 VAL H . 27241 1 223 . 1 1 47 47 VAL C C 13 177.687 0.3 . 1 . . . . . 47 VAL C . 27241 1 224 . 1 1 47 47 VAL CA C 13 65.810 0.3 . 1 . . . . . 47 VAL CA . 27241 1 225 . 1 1 47 47 VAL CB C 13 30.771 0.3 . 1 . . . . . 47 VAL CB . 27241 1 226 . 1 1 47 47 VAL N N 15 125.194 0.3 . 1 . . . . . 47 VAL N . 27241 1 227 . 1 1 48 48 GLY H H 1 9.022 0.020 . 1 . . . . . 48 GLY H . 27241 1 228 . 1 1 48 48 GLY C C 13 174.390 0.3 . 1 . . . . . 48 GLY C . 27241 1 229 . 1 1 48 48 GLY CA C 13 44.678 0.3 . 1 . . . . . 48 GLY CA . 27241 1 230 . 1 1 48 48 GLY N N 15 118.009 0.3 . 1 . . . . . 48 GLY N . 27241 1 231 . 1 1 49 49 ALA H H 1 7.685 0.020 . 1 . . . . . 49 ALA H . 27241 1 232 . 1 1 49 49 ALA C C 13 176.916 0.3 . 1 . . . . . 49 ALA C . 27241 1 233 . 1 1 49 49 ALA CA C 13 52.806 0.3 . 1 . . . . . 49 ALA CA . 27241 1 234 . 1 1 49 49 ALA CB C 13 18.941 0.3 . 1 . . . . . 49 ALA CB . 27241 1 235 . 1 1 49 49 ALA N N 15 124.113 0.3 . 1 . . . . . 49 ALA N . 27241 1 236 . 1 1 50 50 THR H H 1 8.367 0.020 . 1 . . . . . 50 THR H . 27241 1 237 . 1 1 50 50 THR C C 13 174.948 0.3 . 1 . . . . . 50 THR C . 27241 1 238 . 1 1 50 50 THR CA C 13 62.017 0.3 . 1 . . . . . 50 THR CA . 27241 1 239 . 1 1 50 50 THR CB C 13 69.964 0.3 . 1 . . . . . 50 THR CB . 27241 1 240 . 1 1 50 50 THR N N 15 116.931 0.3 . 1 . . . . . 50 THR N . 27241 1 241 . 1 1 51 51 VAL H H 1 9.143 0.020 . 1 . . . . . 51 VAL H . 27241 1 242 . 1 1 51 51 VAL C C 13 175.905 0.3 . 1 . . . . . 51 VAL C . 27241 1 243 . 1 1 51 51 VAL CA C 13 59.037 0.3 . 1 . . . . . 51 VAL CA . 27241 1 244 . 1 1 51 51 VAL CB C 13 35.467 0.3 . 1 . . . . . 51 VAL CB . 27241 1 245 . 1 1 51 51 VAL N N 15 119.308 0.3 . 1 . . . . . 51 VAL N . 27241 1 246 . 1 1 52 52 SER H H 1 8.857 0.020 . 1 . . . . . 52 SER H . 27241 1 247 . 1 1 52 52 SER C C 13 173.273 0.3 . 1 . . . . . 52 SER C . 27241 1 248 . 1 1 52 52 SER CA C 13 57.141 0.3 . 1 . . . . . 52 SER CA . 27241 1 249 . 1 1 52 52 SER CB C 13 64.546 0.3 . 1 . . . . . 52 SER CB . 27241 1 250 . 1 1 52 52 SER N N 15 120.996 0.3 . 1 . . . . . 52 SER N . 27241 1 251 . 1 1 53 53 ALA H H 1 8.210 0.020 . 1 . . . . . 53 ALA H . 27241 1 252 . 1 1 53 53 ALA C C 13 178.618 0.3 . 1 . . . . . 53 ALA C . 27241 1 253 . 1 1 53 53 ALA CA C 13 53.709 0.3 . 1 . . . . . 53 ALA CA . 27241 1 254 . 1 1 53 53 ALA CB C 13 17.405 0.3 . 1 . . . . . 53 ALA CB . 27241 1 255 . 1 1 53 53 ALA N N 15 127.509 0.3 . 1 . . . . . 53 ALA N . 27241 1 256 . 1 1 54 54 GLY H H 1 9.329 0.020 . 1 . . . . . 54 GLY H . 27241 1 257 . 1 1 54 54 GLY C C 13 174.736 0.3 . 1 . . . . . 54 GLY C . 27241 1 258 . 1 1 54 54 GLY CA C 13 44.678 0.3 . 1 . . . . . 54 GLY CA . 27241 1 259 . 1 1 54 54 GLY N N 15 113.423 0.3 . 1 . . . . . 54 GLY N . 27241 1 260 . 1 1 55 55 ASP H H 1 8.405 0.020 . 1 . . . . . 55 ASP H . 27241 1 261 . 1 1 55 55 ASP C C 13 176.756 0.3 . 1 . . . . . 55 ASP C . 27241 1 262 . 1 1 55 55 ASP CA C 13 55.425 0.3 . 1 . . . . . 55 ASP CA . 27241 1 263 . 1 1 55 55 ASP CB C 13 41.156 0.3 . 1 . . . . . 55 ASP CB . 27241 1 264 . 1 1 55 55 ASP N N 15 122.333 0.3 . 1 . . . . . 55 ASP N . 27241 1 265 . 1 1 56 56 ASP H H 1 9.034 0.020 . 1 . . . . . 56 ASP H . 27241 1 266 . 1 1 56 56 ASP C C 13 175.932 0.3 . 1 . . . . . 56 ASP C . 27241 1 267 . 1 1 56 56 ASP CA C 13 54.973 0.3 . 1 . . . . . 56 ASP CA . 27241 1 268 . 1 1 56 56 ASP CB C 13 39.169 0.3 . 1 . . . . . 56 ASP CB . 27241 1 269 . 1 1 56 56 ASP N N 15 120.984 0.3 . 1 . . . . . 56 ASP N . 27241 1 270 . 1 1 57 57 CYS H H 1 8.715 0.020 . 1 . . . . . 57 CYS H . 27241 1 271 . 1 1 57 57 CYS C C 13 172.103 0.3 . 1 . . . . . 57 CYS C . 27241 1 272 . 1 1 57 57 CYS CA C 13 59.218 0.3 . 1 . . . . . 57 CYS CA . 27241 1 273 . 1 1 57 57 CYS CB C 13 29.687 0.3 . 1 . . . . . 57 CYS CB . 27241 1 274 . 1 1 57 57 CYS N N 15 119.359 0.3 . 1 . . . . . 57 CYS N . 27241 1 275 . 1 1 58 58 ALA H H 1 8.029 0.020 . 1 . . . . . 58 ALA H . 27241 1 276 . 1 1 58 58 ALA C C 13 175.613 0.3 . 1 . . . . . 58 ALA C . 27241 1 277 . 1 1 58 58 ALA CA C 13 51.000 0.3 . 1 . . . . . 58 ALA CA . 27241 1 278 . 1 1 58 58 ALA CB C 13 22.282 0.3 . 1 . . . . . 58 ALA CB . 27241 1 279 . 1 1 58 58 ALA N N 15 122.677 0.3 . 1 . . . . . 58 ALA N . 27241 1 280 . 1 1 59 59 VAL H H 1 8.049 0.020 . 1 . . . . . 59 VAL H . 27241 1 281 . 1 1 59 59 VAL C C 13 173.832 0.3 . 1 . . . . . 59 VAL C . 27241 1 282 . 1 1 59 59 VAL CA C 13 62.198 0.3 . 1 . . . . . 59 VAL CA . 27241 1 283 . 1 1 59 59 VAL CB C 13 36.280 0.3 . 1 . . . . . 59 VAL CB . 27241 1 284 . 1 1 59 59 VAL N N 15 120.681 0.3 . 1 . . . . . 59 VAL N . 27241 1 285 . 1 1 60 60 ALA H H 1 8.763 0.020 . 1 . . . . . 60 ALA H . 27241 1 286 . 1 1 60 60 ALA C C 13 174.417 0.3 . 1 . . . . . 60 ALA C . 27241 1 287 . 1 1 60 60 ALA CA C 13 51.090 0.3 . 1 . . . . . 60 ALA CA . 27241 1 288 . 1 1 60 60 ALA CB C 13 19.663 0.3 . 1 . . . . . 60 ALA CB . 27241 1 289 . 1 1 60 60 ALA N N 15 129.728 0.3 . 1 . . . . . 60 ALA N . 27241 1 290 . 1 1 61 61 GLU H H 1 9.141 0.020 . 1 . . . . . 61 GLU H . 27241 1 291 . 1 1 61 61 GLU C C 13 174.656 0.3 . 1 . . . . . 61 GLU C . 27241 1 292 . 1 1 61 61 GLU CA C 13 55.786 0.3 . 1 . . . . . 61 GLU CA . 27241 1 293 . 1 1 61 61 GLU CB C 13 31.945 0.3 . 1 . . . . . 61 GLU CB . 27241 1 294 . 1 1 61 61 GLU N N 15 124.541 0.3 . 1 . . . . . 61 GLU N . 27241 1 295 . 1 1 62 62 SER H H 1 9.467 0.020 . 1 . . . . . 62 SER H . 27241 1 296 . 1 1 62 62 SER C C 13 174.975 0.3 . 1 . . . . . 62 SER C . 27241 1 297 . 1 1 62 62 SER CA C 13 55.967 0.3 . 1 . . . . . 62 SER CA . 27241 1 298 . 1 1 62 62 SER CB C 13 68.971 0.3 . 1 . . . . . 62 SER CB . 27241 1 299 . 1 1 62 62 SER N N 15 125.389 0.3 . 1 . . . . . 62 SER N . 27241 1 300 . 1 1 63 63 VAL H H 1 8.540 0.020 . 1 . . . . . 63 VAL H . 27241 1 301 . 1 1 63 63 VAL C C 13 176.703 0.3 . 1 . . . . . 63 VAL C . 27241 1 302 . 1 1 63 63 VAL CA C 13 64.275 0.3 . 1 . . . . . 63 VAL CA . 27241 1 303 . 1 1 63 63 VAL CB C 13 31.764 0.3 . 1 . . . . . 63 VAL CB . 27241 1 304 . 1 1 63 63 VAL N N 15 113.696 0.3 . 1 . . . . . 63 VAL N . 27241 1 305 . 1 1 64 64 LYS H H 1 8.044 0.020 . 1 . . . . . 64 LYS H . 27241 1 306 . 1 1 64 64 LYS C C 13 175.746 0.3 . 1 . . . . . 64 LYS C . 27241 1 307 . 1 1 64 64 LYS CA C 13 56.599 0.3 . 1 . . . . . 64 LYS CA . 27241 1 308 . 1 1 64 64 LYS CB C 13 35.015 0.3 . 1 . . . . . 64 LYS CB . 27241 1 309 . 1 1 64 64 LYS N N 15 117.155 0.3 . 1 . . . . . 64 LYS N . 27241 1 310 . 1 1 65 65 ALA H H 1 7.857 0.020 . 1 . . . . . 65 ALA H . 27241 1 311 . 1 1 65 65 ALA C C 13 173.965 0.3 . 1 . . . . . 65 ALA C . 27241 1 312 . 1 1 65 65 ALA CA C 13 52.264 0.3 . 1 . . . . . 65 ALA CA . 27241 1 313 . 1 1 65 65 ALA CB C 13 22.282 0.3 . 1 . . . . . 65 ALA CB . 27241 1 314 . 1 1 65 65 ALA N N 15 124.117 0.3 . 1 . . . . . 65 ALA N . 27241 1 315 . 1 1 66 66 ALA H H 1 8.067 0.020 . 1 . . . . . 66 ALA H . 27241 1 316 . 1 1 66 66 ALA C C 13 177.049 0.3 . 1 . . . . . 66 ALA C . 27241 1 317 . 1 1 66 66 ALA CA C 13 51.180 0.3 . 1 . . . . . 66 ALA CA . 27241 1 318 . 1 1 66 66 ALA CB C 13 20.837 0.3 . 1 . . . . . 66 ALA CB . 27241 1 319 . 1 1 66 66 ALA N N 15 120.911 0.3 . 1 . . . . . 66 ALA N . 27241 1 320 . 1 1 67 67 SER H H 1 8.986 0.020 . 1 . . . . . 67 SER H . 27241 1 321 . 1 1 67 67 SER C C 13 173.566 0.3 . 1 . . . . . 67 SER C . 27241 1 322 . 1 1 67 67 SER CA C 13 57.411 0.3 . 1 . . . . . 67 SER CA . 27241 1 323 . 1 1 67 67 SER CB C 13 66.352 0.3 . 1 . . . . . 67 SER CB . 27241 1 324 . 1 1 67 67 SER N N 15 117.943 0.3 . 1 . . . . . 67 SER N . 27241 1 325 . 1 1 68 68 ASP H H 1 8.311 0.020 . 1 . . . . . 68 ASP H . 27241 1 326 . 1 1 68 68 ASP C C 13 174.417 0.3 . 1 . . . . . 68 ASP C . 27241 1 327 . 1 1 68 68 ASP CA C 13 56.057 0.3 . 1 . . . . . 68 ASP CA . 27241 1 328 . 1 1 68 68 ASP CB C 13 41.517 0.3 . 1 . . . . . 68 ASP CB . 27241 1 329 . 1 1 68 68 ASP N N 15 126.721 0.3 . 1 . . . . . 68 ASP N . 27241 1 330 . 1 1 69 69 ILE H H 1 8.254 0.020 . 1 . . . . . 69 ILE H . 27241 1 331 . 1 1 69 69 ILE C C 13 174.606 0.3 . 1 . . . . . 69 ILE C . 27241 1 332 . 1 1 69 69 ILE CA C 13 62.378 0.3 . 1 . . . . . 69 ILE CA . 27241 1 333 . 1 1 69 69 ILE CB C 13 35.828 0.3 . 1 . . . . . 69 ILE CB . 27241 1 334 . 1 1 69 69 ILE N N 15 123.681 0.3 . 1 . . . . . 69 ILE N . 27241 1 335 . 1 1 72 72 PRO C C 13 175.161 0.3 . 1 . . . . . 72 PRO C . 27241 1 336 . 1 1 72 72 PRO CA C 13 64.185 0.3 . 1 . . . . . 72 PRO CA . 27241 1 337 . 1 1 72 72 PRO CB C 13 32.216 0.3 . 1 . . . . . 72 PRO CB . 27241 1 338 . 1 1 73 73 VAL H H 1 6.792 0.020 . 1 . . . . . 73 VAL H . 27241 1 339 . 1 1 73 73 VAL C C 13 172.901 0.3 . 1 . . . . . 73 VAL C . 27241 1 340 . 1 1 73 73 VAL CA C 13 57.682 0.3 . 1 . . . . . 73 VAL CA . 27241 1 341 . 1 1 73 73 VAL CB C 13 34.925 0.3 . 1 . . . . . 73 VAL CB . 27241 1 342 . 1 1 73 73 VAL N N 15 104.014 0.3 . 1 . . . . . 73 VAL N . 27241 1 343 . 1 1 74 74 SER H H 1 10.620 0.020 . 1 . . . . . 74 SER H . 27241 1 344 . 1 1 74 74 SER C C 13 175.613 0.3 . 1 . . . . . 74 SER C . 27241 1 345 . 1 1 74 74 SER CA C 13 57.773 0.3 . 1 . . . . . 74 SER CA . 27241 1 346 . 1 1 74 74 SER CB C 13 62.830 0.3 . 1 . . . . . 74 SER CB . 27241 1 347 . 1 1 74 74 SER N N 15 116.556 0.3 . 1 . . . . . 74 SER N . 27241 1 348 . 1 1 75 75 GLY H H 1 8.938 0.020 . 1 . . . . . 75 GLY H . 27241 1 349 . 1 1 75 75 GLY C C 13 170.349 0.3 . 1 . . . . . 75 GLY C . 27241 1 350 . 1 1 75 75 GLY CA C 13 46.304 0.3 . 1 . . . . . 75 GLY CA . 27241 1 351 . 1 1 75 75 GLY N N 15 112.185 0.3 . 1 . . . . . 75 GLY N . 27241 1 352 . 1 1 76 76 GLU H H 1 7.901 0.020 . 1 . . . . . 76 GLU H . 27241 1 353 . 1 1 76 76 GLU C C 13 176.304 0.3 . 1 . . . . . 76 GLU C . 27241 1 354 . 1 1 76 76 GLU CA C 13 53.528 0.3 . 1 . . . . . 76 GLU CA . 27241 1 355 . 1 1 76 76 GLU CB C 13 33.299 0.3 . 1 . . . . . 76 GLU CB . 27241 1 356 . 1 1 76 76 GLU N N 15 121.022 0.3 . 1 . . . . . 76 GLU N . 27241 1 357 . 1 1 77 77 ILE H H 1 9.116 0.020 . 1 . . . . . 77 ILE H . 27241 1 358 . 1 1 77 77 ILE C C 13 177.341 0.3 . 1 . . . . . 77 ILE C . 27241 1 359 . 1 1 77 77 ILE CA C 13 60.843 0.3 . 1 . . . . . 77 ILE CA . 27241 1 360 . 1 1 77 77 ILE CB C 13 35.196 0.3 . 1 . . . . . 77 ILE CB . 27241 1 361 . 1 1 77 77 ILE N N 15 127.473 0.3 . 1 . . . . . 77 ILE N . 27241 1 362 . 1 1 78 78 VAL H H 1 8.610 0.020 . 1 . . . . . 78 VAL H . 27241 1 363 . 1 1 78 78 VAL C C 13 176.038 0.3 . 1 . . . . . 78 VAL C . 27241 1 364 . 1 1 78 78 VAL CA C 13 62.017 0.3 . 1 . . . . . 78 VAL CA . 27241 1 365 . 1 1 78 78 VAL CB C 13 32.758 0.3 . 1 . . . . . 78 VAL CB . 27241 1 366 . 1 1 78 78 VAL N N 15 124.015 0.3 . 1 . . . . . 78 VAL N . 27241 1 367 . 1 1 79 79 ALA H H 1 7.819 0.020 . 1 . . . . . 79 ALA H . 27241 1 368 . 1 1 79 79 ALA C C 13 175.533 0.3 . 1 . . . . . 79 ALA C . 27241 1 369 . 1 1 79 79 ALA CA C 13 52.806 0.3 . 1 . . . . . 79 ALA CA . 27241 1 370 . 1 1 79 79 ALA CB C 13 22.372 0.3 . 1 . . . . . 79 ALA CB . 27241 1 371 . 1 1 79 79 ALA N N 15 121.420 0.3 . 1 . . . . . 79 ALA N . 27241 1 372 . 1 1 80 80 VAL H H 1 8.992 0.020 . 1 . . . . . 80 VAL H . 27241 1 373 . 1 1 80 80 VAL C C 13 174.204 0.3 . 1 . . . . . 80 VAL C . 27241 1 374 . 1 1 80 80 VAL CA C 13 59.669 0.3 . 1 . . . . . 80 VAL CA . 27241 1 375 . 1 1 80 80 VAL CB C 13 35.828 0.3 . 1 . . . . . 80 VAL CB . 27241 1 376 . 1 1 80 80 VAL N N 15 113.524 0.3 . 1 . . . . . 80 VAL N . 27241 1 377 . 1 1 81 81 ASN H H 1 7.217 0.020 . 1 . . . . . 81 ASN H . 27241 1 378 . 1 1 81 81 ASN C C 13 175.108 0.3 . 1 . . . . . 81 ASN C . 27241 1 379 . 1 1 81 81 ASN CA C 13 51.271 0.3 . 1 . . . . . 81 ASN CA . 27241 1 380 . 1 1 81 81 ASN CB C 13 34.473 0.3 . 1 . . . . . 81 ASN CB . 27241 1 381 . 1 1 81 81 ASN N N 15 119.476 0.3 . 1 . . . . . 81 ASN N . 27241 1 382 . 1 1 82 82 ASP H H 1 7.720 0.020 . 1 . . . . . 82 ASP H . 27241 1 383 . 1 1 82 82 ASP C C 13 178.006 0.3 . 1 . . . . . 82 ASP C . 27241 1 384 . 1 1 82 82 ASP CA C 13 56.689 0.3 . 1 . . . . . 82 ASP CA . 27241 1 385 . 1 1 82 82 ASP CB C 13 40.976 0.3 . 1 . . . . . 82 ASP CB . 27241 1 386 . 1 1 82 82 ASP N N 15 123.953 0.3 . 1 . . . . . 82 ASP N . 27241 1 387 . 1 1 83 83 ALA H H 1 7.557 0.020 . 1 . . . . . 83 ALA H . 27241 1 388 . 1 1 83 83 ALA C C 13 180.266 0.3 . 1 . . . . . 83 ALA C . 27241 1 389 . 1 1 83 83 ALA CA C 13 54.612 0.3 . 1 . . . . . 83 ALA CA . 27241 1 390 . 1 1 83 83 ALA CB C 13 17.857 0.3 . 1 . . . . . 83 ALA CB . 27241 1 391 . 1 1 83 83 ALA N N 15 122.338 0.3 . 1 . . . . . 83 ALA N . 27241 1 392 . 1 1 84 84 LEU H H 1 7.570 0.020 . 1 . . . . . 84 LEU H . 27241 1 393 . 1 1 84 84 LEU C C 13 177.926 0.3 . 1 . . . . . 84 LEU C . 27241 1 394 . 1 1 84 84 LEU CA C 13 56.057 0.3 . 1 . . . . . 84 LEU CA . 27241 1 395 . 1 1 84 84 LEU CB C 13 40.976 0.3 . 1 . . . . . 84 LEU CB . 27241 1 396 . 1 1 84 84 LEU N N 15 114.100 0.3 . 1 . . . . . 84 LEU N . 27241 1 397 . 1 1 85 85 SER H H 1 7.461 0.020 . 1 . . . . . 85 SER H . 27241 1 398 . 1 1 85 85 SER C C 13 175.028 0.3 . 1 . . . . . 85 SER C . 27241 1 399 . 1 1 85 85 SER CA C 13 60.753 0.3 . 1 . . . . . 85 SER CA . 27241 1 400 . 1 1 85 85 SER CB C 13 62.469 0.3 . 1 . . . . . 85 SER CB . 27241 1 401 . 1 1 85 85 SER N N 15 114.239 0.3 . 1 . . . . . 85 SER N . 27241 1 402 . 1 1 86 86 ASP H H 1 7.214 0.020 . 1 . . . . . 86 ASP H . 27241 1 403 . 1 1 86 86 ASP C C 13 176.809 0.3 . 1 . . . . . 86 ASP C . 27241 1 404 . 1 1 86 86 ASP CA C 13 55.244 0.3 . 1 . . . . . 86 ASP CA . 27241 1 405 . 1 1 86 86 ASP CB C 13 42.782 0.3 . 1 . . . . . 86 ASP CB . 27241 1 406 . 1 1 86 86 ASP N N 15 117.792 0.3 . 1 . . . . . 86 ASP N . 27241 1 407 . 1 1 87 87 SER H H 1 7.852 0.020 . 1 . . . . . 87 SER H . 27241 1 408 . 1 1 87 87 SER C C 13 172.050 0.3 . 1 . . . . . 87 SER C . 27241 1 409 . 1 1 87 87 SER CA C 13 54.431 0.3 . 1 . . . . . 87 SER CA . 27241 1 410 . 1 1 87 87 SER CB C 13 63.552 0.3 . 1 . . . . . 87 SER CB . 27241 1 411 . 1 1 87 87 SER N N 15 114.032 0.3 . 1 . . . . . 87 SER N . 27241 1 412 . 1 1 88 88 PRO C C 13 176.464 0.3 . 1 . . . . . 88 PRO C . 27241 1 413 . 1 1 88 88 PRO CA C 13 65.449 0.3 . 1 . . . . . 88 PRO CA . 27241 1 414 . 1 1 88 88 PRO CB C 13 30.590 0.3 . 1 . . . . . 88 PRO CB . 27241 1 415 . 1 1 89 89 GLU H H 1 9.592 0.020 . 1 . . . . . 89 GLU H . 27241 1 416 . 1 1 89 89 GLU C C 13 177.979 0.3 . 1 . . . . . 89 GLU C . 27241 1 417 . 1 1 89 89 GLU CA C 13 58.585 0.3 . 1 . . . . . 89 GLU CA . 27241 1 418 . 1 1 89 89 GLU CB C 13 27.158 0.3 . 1 . . . . . 89 GLU CB . 27241 1 419 . 1 1 89 89 GLU N N 15 117.845 0.3 . 1 . . . . . 89 GLU N . 27241 1 420 . 1 1 90 90 LEU H H 1 7.728 0.020 . 1 . . . . . 90 LEU H . 27241 1 421 . 1 1 90 90 LEU C C 13 179.309 0.3 . 1 . . . . . 90 LEU C . 27241 1 422 . 1 1 90 90 LEU CA C 13 57.682 0.3 . 1 . . . . . 90 LEU CA . 27241 1 423 . 1 1 90 90 LEU CB C 13 42.691 0.3 . 1 . . . . . 90 LEU CB . 27241 1 424 . 1 1 90 90 LEU N N 15 125.873 0.3 . 1 . . . . . 90 LEU N . 27241 1 425 . 1 1 91 91 VAL H H 1 7.707 0.020 . 1 . . . . . 91 VAL H . 27241 1 426 . 1 1 91 91 VAL C C 13 175.347 0.3 . 1 . . . . . 91 VAL C . 27241 1 427 . 1 1 91 91 VAL CA C 13 66.775 0.3 . 1 . . . . . 91 VAL CA . 27241 1 428 . 1 1 91 91 VAL CB C 13 31.896 0.3 . 1 . . . . . 91 VAL CB . 27241 1 429 . 1 1 91 91 VAL N N 15 117.246 0.3 . 1 . . . . . 91 VAL N . 27241 1 430 . 1 1 92 92 ASN H H 1 6.820 0.020 . 1 . . . . . 92 ASN H . 27241 1 431 . 1 1 92 92 ASN C C 13 177.075 0.3 . 1 . . . . . 92 ASN C . 27241 1 432 . 1 1 92 92 ASN CA C 13 56.147 0.3 . 1 . . . . . 92 ASN CA . 27241 1 433 . 1 1 92 92 ASN CB C 13 41.337 0.3 . 1 . . . . . 92 ASN CB . 27241 1 434 . 1 1 92 92 ASN N N 15 108.912 0.3 . 1 . . . . . 92 ASN N . 27241 1 435 . 1 1 93 93 SER H H 1 8.139 0.020 . 1 . . . . . 93 SER H . 27241 1 436 . 1 1 93 93 SER C C 13 176.171 0.3 . 1 . . . . . 93 SER C . 27241 1 437 . 1 1 93 93 SER CA C 13 60.121 0.3 . 1 . . . . . 93 SER CA . 27241 1 438 . 1 1 93 93 SER CB C 13 63.643 0.3 . 1 . . . . . 93 SER CB . 27241 1 439 . 1 1 93 93 SER N N 15 112.627 0.3 . 1 . . . . . 93 SER N . 27241 1 440 . 1 1 94 94 GLU H H 1 8.283 0.020 . 1 . . . . . 94 GLU H . 27241 1 441 . 1 1 94 94 GLU C C 13 174.635 0.3 . 1 . . . . . 94 GLU C . 27241 1 442 . 1 1 94 94 GLU CA C 13 53.889 0.3 . 1 . . . . . 94 GLU CA . 27241 1 443 . 1 1 94 94 GLU CB C 13 31.403 0.3 . 1 . . . . . 94 GLU CB . 27241 1 444 . 1 1 94 94 GLU N N 15 121.127 0.3 . 1 . . . . . 94 GLU N . 27241 1 445 . 1 1 95 95 PRO C C 13 177.926 0.3 . 1 . . . . . 95 PRO C . 27241 1 446 . 1 1 95 95 PRO CA C 13 66.081 0.3 . 1 . . . . . 95 PRO CA . 27241 1 447 . 1 1 95 95 PRO CB C 13 30.048 0.3 . 1 . . . . . 95 PRO CB . 27241 1 448 . 1 1 96 96 TYR H H 1 7.926 0.020 . 1 . . . . . 96 TYR H . 27241 1 449 . 1 1 96 96 TYR C C 13 175.799 0.3 . 1 . . . . . 96 TYR C . 27241 1 450 . 1 1 96 96 TYR CA C 13 57.502 0.3 . 1 . . . . . 96 TYR CA . 27241 1 451 . 1 1 96 96 TYR CB C 13 38.176 0.3 . 1 . . . . . 96 TYR CB . 27241 1 452 . 1 1 96 96 TYR N N 15 110.979 0.3 . 1 . . . . . 96 TYR N . 27241 1 453 . 1 1 97 97 ALA H H 1 7.757 0.020 . 1 . . . . . 97 ALA H . 27241 1 454 . 1 1 97 97 ALA C C 13 177.102 0.3 . 1 . . . . . 97 ALA C . 27241 1 455 . 1 1 97 97 ALA CA C 13 51.271 0.3 . 1 . . . . . 97 ALA CA . 27241 1 456 . 1 1 97 97 ALA CB C 13 19.211 0.3 . 1 . . . . . 97 ALA CB . 27241 1 457 . 1 1 97 97 ALA N N 15 126.549 0.3 . 1 . . . . . 97 ALA N . 27241 1 458 . 1 1 98 98 GLY H H 1 9.579 0.020 . 1 . . . . . 98 GLY H . 27241 1 459 . 1 1 98 98 GLY C C 13 172.396 0.3 . 1 . . . . . 98 GLY C . 27241 1 460 . 1 1 98 98 GLY CA C 13 47.478 0.3 . 1 . . . . . 98 GLY CA . 27241 1 461 . 1 1 98 98 GLY N N 15 114.797 0.3 . 1 . . . . . 98 GLY N . 27241 1 462 . 1 1 99 99 GLY H H 1 8.525 0.020 . 1 . . . . . 99 GLY H . 27241 1 463 . 1 1 99 99 GLY C C 13 172.954 0.3 . 1 . . . . . 99 GLY C . 27241 1 464 . 1 1 99 99 GLY CA C 13 45.039 0.3 . 1 . . . . . 99 GLY CA . 27241 1 465 . 1 1 99 99 GLY N N 15 107.250 0.3 . 1 . . . . . 99 GLY N . 27241 1 466 . 1 1 100 100 TRP H H 1 7.133 0.020 . 1 . . . . . 100 TRP H . 27241 1 467 . 1 1 100 100 TRP C C 13 172.236 0.3 . 1 . . . . . 100 TRP C . 27241 1 468 . 1 1 100 100 TRP CA C 13 57.592 0.3 . 1 . . . . . 100 TRP CA . 27241 1 469 . 1 1 100 100 TRP CB C 13 28.242 0.3 . 1 . . . . . 100 TRP CB . 27241 1 470 . 1 1 100 100 TRP N N 15 117.355 0.3 . 1 . . . . . 100 TRP N . 27241 1 471 . 1 1 101 101 ILE H H 1 8.695 0.020 . 1 . . . . . 101 ILE H . 27241 1 472 . 1 1 101 101 ILE C C 13 175.001 0.3 . 1 . . . . . 101 ILE C . 27241 1 473 . 1 1 101 101 ILE CA C 13 63.823 0.3 . 1 . . . . . 101 ILE CA . 27241 1 474 . 1 1 101 101 ILE CB C 13 38.989 0.3 . 1 . . . . . 101 ILE CB . 27241 1 475 . 1 1 101 101 ILE N N 15 116.031 0.3 . 1 . . . . . 101 ILE N . 27241 1 476 . 1 1 102 102 PHE H H 1 7.682 0.020 . 1 . . . . . 102 PHE H . 27241 1 477 . 1 1 102 102 PHE C C 13 171.705 0.3 . 1 . . . . . 102 PHE C . 27241 1 478 . 1 1 102 102 PHE CA C 13 56.237 0.3 . 1 . . . . . 102 PHE CA . 27241 1 479 . 1 1 102 102 PHE CB C 13 41.337 0.3 . 1 . . . . . 102 PHE CB . 27241 1 480 . 1 1 102 102 PHE N N 15 111.748 0.3 . 1 . . . . . 102 PHE N . 27241 1 481 . 1 1 103 103 LYS H H 1 9.026 0.020 . 1 . . . . . 103 LYS H . 27241 1 482 . 1 1 103 103 LYS C C 13 175.932 0.3 . 1 . . . . . 103 LYS C . 27241 1 483 . 1 1 103 103 LYS CA C 13 55.154 0.3 . 1 . . . . . 103 LYS CA . 27241 1 484 . 1 1 103 103 LYS CB C 13 36.821 0.3 . 1 . . . . . 103 LYS CB . 27241 1 485 . 1 1 103 103 LYS N N 15 119.755 0.3 . 1 . . . . . 103 LYS N . 27241 1 486 . 1 1 104 104 ILE H H 1 9.817 0.020 . 1 . . . . . 104 ILE H . 27241 1 487 . 1 1 104 104 ILE C C 13 172.715 0.3 . 1 . . . . . 104 ILE C . 27241 1 488 . 1 1 104 104 ILE CA C 13 58.947 0.3 . 1 . . . . . 104 ILE CA . 27241 1 489 . 1 1 104 104 ILE CB C 13 44.768 0.3 . 1 . . . . . 104 ILE CB . 27241 1 490 . 1 1 104 104 ILE N N 15 124.231 0.3 . 1 . . . . . 104 ILE N . 27241 1 491 . 1 1 105 105 LYS H H 1 9.054 0.020 . 1 . . . . . 105 LYS H . 27241 1 492 . 1 1 105 105 LYS C C 13 176.357 0.3 . 1 . . . . . 105 LYS C . 27241 1 493 . 1 1 105 105 LYS CA C 13 54.612 0.3 . 1 . . . . . 105 LYS CA . 27241 1 494 . 1 1 105 105 LYS CB C 13 33.299 0.3 . 1 . . . . . 105 LYS CB . 27241 1 495 . 1 1 105 105 LYS N N 15 129.431 0.3 . 1 . . . . . 105 LYS N . 27241 1 496 . 1 1 106 106 ALA H H 1 9.145 0.020 . 1 . . . . . 106 ALA H . 27241 1 497 . 1 1 106 106 ALA C C 13 178.006 0.3 . 1 . . . . . 106 ALA C . 27241 1 498 . 1 1 106 106 ALA CA C 13 52.806 0.3 . 1 . . . . . 106 ALA CA . 27241 1 499 . 1 1 106 106 ALA CB C 13 18.941 0.3 . 1 . . . . . 106 ALA CB . 27241 1 500 . 1 1 106 106 ALA N N 15 135.232 0.3 . 1 . . . . . 106 ALA N . 27241 1 501 . 1 1 107 107 SER H H 1 8.239 0.020 . 1 . . . . . 107 SER H . 27241 1 502 . 1 1 107 107 SER C C 13 175.374 0.3 . 1 . . . . . 107 SER C . 27241 1 503 . 1 1 107 107 SER CA C 13 58.947 0.3 . 1 . . . . . 107 SER CA . 27241 1 504 . 1 1 107 107 SER CB C 13 64.817 0.3 . 1 . . . . . 107 SER CB . 27241 1 505 . 1 1 107 107 SER N N 15 117.993 0.3 . 1 . . . . . 107 SER N . 27241 1 506 . 1 1 108 108 ASP H H 1 9.889 0.020 . 1 . . . . . 108 ASP H . 27241 1 507 . 1 1 108 108 ASP C C 13 176.171 0.3 . 1 . . . . . 108 ASP C . 27241 1 508 . 1 1 108 108 ASP CA C 13 53.528 0.3 . 1 . . . . . 108 ASP CA . 27241 1 509 . 1 1 108 108 ASP CB C 13 40.976 0.3 . 1 . . . . . 108 ASP CB . 27241 1 510 . 1 1 108 108 ASP N N 15 126.244 0.3 . 1 . . . . . 108 ASP N . 27241 1 511 . 1 1 109 109 GLU H H 1 9.061 0.020 . 1 . . . . . 109 GLU H . 27241 1 512 . 1 1 109 109 GLU C C 13 178.963 0.3 . 1 . . . . . 109 GLU C . 27241 1 513 . 1 1 109 109 GLU CA C 13 59.398 0.3 . 1 . . . . . 109 GLU CA . 27241 1 514 . 1 1 109 109 GLU CB C 13 29.055 0.3 . 1 . . . . . 109 GLU CB . 27241 1 515 . 1 1 109 109 GLU N N 15 124.115 0.3 . 1 . . . . . 109 GLU N . 27241 1 516 . 1 1 110 110 SER H H 1 8.420 0.020 . 1 . . . . . 110 SER H . 27241 1 517 . 1 1 110 110 SER C C 13 177.820 0.3 . 1 . . . . . 110 SER C . 27241 1 518 . 1 1 110 110 SER CA C 13 62.378 0.3 . 1 . . . . . 110 SER CA . 27241 1 519 . 1 1 110 110 SER N N 15 119.163 0.3 . 1 . . . . . 110 SER N . 27241 1 520 . 1 1 111 111 GLU H H 1 7.913 0.020 . 1 . . . . . 111 GLU H . 27241 1 521 . 1 1 111 111 GLU C C 13 179.681 0.3 . 1 . . . . . 111 GLU C . 27241 1 522 . 1 1 111 111 GLU CA C 13 58.134 0.3 . 1 . . . . . 111 GLU CA . 27241 1 523 . 1 1 111 111 GLU CB C 13 30.410 0.3 . 1 . . . . . 111 GLU CB . 27241 1 524 . 1 1 111 111 GLU N N 15 122.567 0.3 . 1 . . . . . 111 GLU N . 27241 1 525 . 1 1 112 112 LEU H H 1 7.446 0.020 . 1 . . . . . 112 LEU H . 27241 1 526 . 1 1 112 112 LEU C C 13 179.681 0.3 . 1 . . . . . 112 LEU C . 27241 1 527 . 1 1 112 112 LEU CA C 13 57.682 0.3 . 1 . . . . . 112 LEU CA . 27241 1 528 . 1 1 112 112 LEU CB C 13 41.156 0.3 . 1 . . . . . 112 LEU CB . 27241 1 529 . 1 1 112 112 LEU N N 15 118.819 0.3 . 1 . . . . . 112 LEU N . 27241 1 530 . 1 1 113 113 GLU H H 1 7.370 0.020 . 1 . . . . . 113 GLU H . 27241 1 531 . 1 1 113 113 GLU C C 13 177.208 0.3 . 1 . . . . . 113 GLU C . 27241 1 532 . 1 1 113 113 GLU CA C 13 58.304 0.3 . 1 . . . . . 113 GLU CA . 27241 1 533 . 1 1 113 113 GLU CB C 13 29.405 0.3 . 1 . . . . . 113 GLU CB . 27241 1 534 . 1 1 113 113 GLU N N 15 117.257 0.3 . 1 . . . . . 113 GLU N . 27241 1 535 . 1 1 114 114 SER H H 1 7.238 0.020 . 1 . . . . . 114 SER H . 27241 1 536 . 1 1 114 114 SER C C 13 174.736 0.3 . 1 . . . . . 114 SER C . 27241 1 537 . 1 1 114 114 SER CA C 13 59.425 0.3 . 1 . . . . . 114 SER CA . 27241 1 538 . 1 1 114 114 SER CB C 13 64.159 0.3 . 1 . . . . . 114 SER CB . 27241 1 539 . 1 1 114 114 SER N N 15 111.860 0.3 . 1 . . . . . 114 SER N . 27241 1 540 . 1 1 115 115 LEU H H 1 7.023 0.020 . 1 . . . . . 115 LEU H . 27241 1 541 . 1 1 115 115 LEU C C 13 176.038 0.3 . 1 . . . . . 115 LEU C . 27241 1 542 . 1 1 115 115 LEU CA C 13 54.612 0.3 . 1 . . . . . 115 LEU CA . 27241 1 543 . 1 1 115 115 LEU CB C 13 41.969 0.3 . 1 . . . . . 115 LEU CB . 27241 1 544 . 1 1 115 115 LEU N N 15 122.118 0.3 . 1 . . . . . 115 LEU N . 27241 1 545 . 1 1 116 116 LEU H H 1 9.309 0.020 . 1 . . . . . 116 LEU H . 27241 1 546 . 1 1 116 116 LEU C C 13 177.740 0.3 . 1 . . . . . 116 LEU C . 27241 1 547 . 1 1 116 116 LEU CA C 13 55.154 0.3 . 1 . . . . . 116 LEU CA . 27241 1 548 . 1 1 116 116 LEU CB C 13 43.414 0.3 . 1 . . . . . 116 LEU CB . 27241 1 549 . 1 1 116 116 LEU N N 15 122.055 0.3 . 1 . . . . . 116 LEU N . 27241 1 550 . 1 1 117 117 ASP H H 1 8.015 0.020 . 1 . . . . . 117 ASP H . 27241 1 551 . 1 1 117 117 ASP C C 13 176.092 0.3 . 1 . . . . . 117 ASP C . 27241 1 552 . 1 1 117 117 ASP CA C 13 52.354 0.3 . 1 . . . . . 117 ASP CA . 27241 1 553 . 1 1 117 117 ASP CB C 13 41.427 0.3 . 1 . . . . . 117 ASP CB . 27241 1 554 . 1 1 117 117 ASP N N 15 119.272 0.3 . 1 . . . . . 117 ASP N . 27241 1 555 . 1 1 118 118 ALA H H 1 8.978 0.020 . 1 . . . . . 118 ALA H . 27241 1 556 . 1 1 118 118 ALA C C 13 179.548 0.3 . 1 . . . . . 118 ALA C . 27241 1 557 . 1 1 118 118 ALA CA C 13 56.057 0.3 . 1 . . . . . 118 ALA CA . 27241 1 558 . 1 1 118 118 ALA CB C 13 19.663 0.3 . 1 . . . . . 118 ALA CB . 27241 1 559 . 1 1 118 118 ALA N N 15 122.040 0.3 . 1 . . . . . 118 ALA N . 27241 1 560 . 1 1 119 119 THR H H 1 7.885 0.020 . 1 . . . . . 119 THR H . 27241 1 561 . 1 1 119 119 THR C C 13 177.129 0.3 . 1 . . . . . 119 THR C . 27241 1 562 . 1 1 119 119 THR CA C 13 66.533 0.3 . 1 . . . . . 119 THR CA . 27241 1 563 . 1 1 119 119 THR CB C 13 68.790 0.3 . 1 . . . . . 119 THR CB . 27241 1 564 . 1 1 119 119 THR N N 15 113.282 0.3 . 1 . . . . . 119 THR N . 27241 1 565 . 1 1 120 120 ALA H H 1 8.100 0.020 . 1 . . . . . 120 ALA H . 27241 1 566 . 1 1 120 120 ALA C C 13 180.665 0.3 . 1 . . . . . 120 ALA C . 27241 1 567 . 1 1 120 120 ALA CA C 13 54.612 0.3 . 1 . . . . . 120 ALA CA . 27241 1 568 . 1 1 120 120 ALA CB C 13 19.031 0.3 . 1 . . . . . 120 ALA CB . 27241 1 569 . 1 1 120 120 ALA N N 15 125.975 0.3 . 1 . . . . . 120 ALA N . 27241 1 570 . 1 1 121 121 TYR H H 1 8.757 0.020 . 1 . . . . . 121 TYR H . 27241 1 571 . 1 1 121 121 TYR C C 13 176.916 0.3 . 1 . . . . . 121 TYR C . 27241 1 572 . 1 1 121 121 TYR CA C 13 62.378 0.3 . 1 . . . . . 121 TYR CA . 27241 1 573 . 1 1 121 121 TYR CB C 13 38.537 0.3 . 1 . . . . . 121 TYR CB . 27241 1 574 . 1 1 121 121 TYR N N 15 123.405 0.3 . 1 . . . . . 121 TYR N . 27241 1 575 . 1 1 122 122 GLU H H 1 8.430 0.020 . 1 . . . . . 122 GLU H . 27241 1 576 . 1 1 122 122 GLU C C 13 179.522 0.3 . 1 . . . . . 122 GLU C . 27241 1 577 . 1 1 122 122 GLU CA C 13 60.422 0.3 . 1 . . . . . 122 GLU CA . 27241 1 578 . 1 1 122 122 GLU CB C 13 29.280 0.3 . 1 . . . . . 122 GLU CB . 27241 1 579 . 1 1 122 122 GLU N N 15 118.309 0.3 . 1 . . . . . 122 GLU N . 27241 1 580 . 1 1 123 123 ALA H H 1 7.356 0.020 . 1 . . . . . 123 ALA H . 27241 1 581 . 1 1 123 123 ALA C C 13 180.239 0.3 . 1 . . . . . 123 ALA C . 27241 1 582 . 1 1 123 123 ALA CA C 13 54.702 0.3 . 1 . . . . . 123 ALA CA . 27241 1 583 . 1 1 123 123 ALA CB C 13 17.496 0.3 . 1 . . . . . 123 ALA CB . 27241 1 584 . 1 1 123 123 ALA N N 15 119.962 0.3 . 1 . . . . . 123 ALA N . 27241 1 585 . 1 1 124 124 LEU H H 1 7.542 0.020 . 1 . . . . . 124 LEU H . 27241 1 586 . 1 1 124 124 LEU C C 13 179.681 0.3 . 1 . . . . . 124 LEU C . 27241 1 587 . 1 1 124 124 LEU CA C 13 57.682 0.3 . 1 . . . . . 124 LEU CA . 27241 1 588 . 1 1 124 124 LEU CB C 13 41.246 0.3 . 1 . . . . . 124 LEU CB . 27241 1 589 . 1 1 124 124 LEU N N 15 121.792 0.3 . 1 . . . . . 124 LEU N . 27241 1 590 . 1 1 125 125 LEU H H 1 7.386 0.020 . 1 . . . . . 125 LEU H . 27241 1 591 . 1 1 125 125 LEU C C 13 179.043 0.3 . 1 . . . . . 125 LEU C . 27241 1 592 . 1 1 125 125 LEU CA C 13 57.231 0.3 . 1 . . . . . 125 LEU CA . 27241 1 593 . 1 1 125 125 LEU CB C 13 41.246 0.3 . 1 . . . . . 125 LEU CB . 27241 1 594 . 1 1 125 125 LEU N N 15 117.857 0.3 . 1 . . . . . 125 LEU N . 27241 1 595 . 1 1 126 126 GLU H H 1 7.373 0.020 . 1 . . . . . 126 GLU H . 27241 1 596 . 1 1 126 126 GLU C C 13 176.889 0.3 . 1 . . . . . 126 GLU C . 27241 1 597 . 1 1 126 126 GLU CA C 13 57.592 0.3 . 1 . . . . . 126 GLU CA . 27241 1 598 . 1 1 126 126 GLU CB C 13 29.958 0.3 . 1 . . . . . 126 GLU CB . 27241 1 599 . 1 1 126 126 GLU N N 15 118.774 0.3 . 1 . . . . . 126 GLU N . 27241 1 600 . 1 1 127 127 ASP H H 1 7.707 0.020 . 1 . . . . . 127 ASP H . 27241 1 601 . 1 1 127 127 ASP C C 13 175.693 0.3 . 1 . . . . . 127 ASP C . 27241 1 602 . 1 1 127 127 ASP CA C 13 54.692 0.3 . 1 . . . . . 127 ASP CA . 27241 1 603 . 1 1 127 127 ASP CB C 13 41.612 0.3 . 1 . . . . . 127 ASP CB . 27241 1 604 . 1 1 127 127 ASP N N 15 120.476 0.3 . 1 . . . . . 127 ASP N . 27241 1 605 . 1 1 128 128 GLU H H 1 7.578 0.020 . 1 . . . . . 128 GLU H . 27241 1 606 . 1 1 128 128 GLU C C 13 181.663 0.3 . 1 . . . . . 128 GLU C . 27241 1 607 . 1 1 128 128 GLU CA C 13 58.134 0.3 . 1 . . . . . 128 GLU CA . 27241 1 608 . 1 1 128 128 GLU CB C 13 30.590 0.3 . 1 . . . . . 128 GLU CB . 27241 1 609 . 1 1 128 128 GLU N N 15 126.297 0.3 . 1 . . . . . 128 GLU N . 27241 1 stop_ save_