data_25921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25921 _Entry.Title ; NMR assignment of the 65-residue-long inactivating factor of glutanmine synthetase I from cyanobacterirum Synechocystis sp. PCC 6803 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-15 _Entry.Accession_date 2015-12-22 _Entry.Last_release_date 2016-06-13 _Entry.Original_release_date 2016-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Pantoja-Uceda . . . . 25921 2 Jose Neira . L. . . 25921 3 Jorge Santoro . . . . 25921 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'IQFR, CSIC' . 25921 2 . UMH . 25921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 25921 '15N chemical shifts' 74 25921 '1H chemical shifts' 272 25921 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-22 2015-12-18 update BMRB 'update entry citation' 25921 1 . . 2016-06-13 2015-12-18 original author 'original release' 25921 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.6b00072 _Citation.PubMed_ID 27232663 _Citation.Full_citation . _Citation.Title ; Dissecting the Binding between Glutamine Synthetase and Its Two Natively Unfolded Protein Inhibitors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 55 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 3370 _Citation.Page_last 3382 _Citation.Year 2016 _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 David Pantoja-Uceda . . . . 25921 1 2 Jose Neira . L. . . 25921 1 3 Lorena Saelices . . . . 25921 1 4 Rocio Robles-Rengel . . . . 25921 1 5 Francsico Florencio . J. . . 25921 1 6 'M. Isabel' Muro-Pastor . . . . 25921 1 7 Jorge Santoro . . . . 25921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25921 _Assembly.ID 1 _Assembly.Name IF7 _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 IF7 1 $IF7 A . yes native no no . . . 25921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF7 _Entity.Sf_category entity _Entity.Sf_framecode IF7 _Entity.Entry_ID 25921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IF7 _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 ; MGSSHHHHHHSSGLVPRGSH MSTQQQARALMMRHHQFIKN RQQSMLSRAAAEIGVEAEKD FWTTVQGKPQSSFRTTYDRS NASLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-20 are not presente in native IF7 renumbering -20 numbers ; _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 -19 MET . 25921 1 2 -18 GLY . 25921 1 3 -17 SER . 25921 1 4 -16 SER . 25921 1 5 -15 HIS . 25921 1 6 -14 HIS . 25921 1 7 -13 HIS . 25921 1 8 -12 HIS . 25921 1 9 -11 HIS . 25921 1 10 -10 HIS . 25921 1 11 -9 SER . 25921 1 12 -8 SER . 25921 1 13 -7 GLY . 25921 1 14 -6 LEU . 25921 1 15 -5 VAL . 25921 1 16 -4 PRO . 25921 1 17 -3 ARG . 25921 1 18 -2 GLY . 25921 1 19 -1 SER . 25921 1 20 0 HIS . 25921 1 21 1 MET . 25921 1 22 2 SER . 25921 1 23 3 THR . 25921 1 24 4 GLN . 25921 1 25 5 GLN . 25921 1 26 6 GLN . 25921 1 27 7 ALA . 25921 1 28 8 ARG . 25921 1 29 9 ALA . 25921 1 30 10 LEU . 25921 1 31 11 MET . 25921 1 32 12 MET . 25921 1 33 13 ARG . 25921 1 34 14 HIS . 25921 1 35 15 HIS . 25921 1 36 16 GLN . 25921 1 37 17 PHE . 25921 1 38 18 ILE . 25921 1 39 19 LYS . 25921 1 40 20 ASN . 25921 1 41 21 ARG . 25921 1 42 22 GLN . 25921 1 43 23 GLN . 25921 1 44 24 SER . 25921 1 45 25 MET . 25921 1 46 26 LEU . 25921 1 47 27 SER . 25921 1 48 28 ARG . 25921 1 49 29 ALA . 25921 1 50 30 ALA . 25921 1 51 31 ALA . 25921 1 52 32 GLU . 25921 1 53 33 ILE . 25921 1 54 34 GLY . 25921 1 55 35 VAL . 25921 1 56 36 GLU . 25921 1 57 37 ALA . 25921 1 58 38 GLU . 25921 1 59 39 LYS . 25921 1 60 40 ASP . 25921 1 61 41 PHE . 25921 1 62 42 TRP . 25921 1 63 43 THR . 25921 1 64 44 THR . 25921 1 65 45 VAL . 25921 1 66 46 GLN . 25921 1 67 47 GLY . 25921 1 68 48 LYS . 25921 1 69 49 PRO . 25921 1 70 50 GLN . 25921 1 71 51 SER . 25921 1 72 52 SER . 25921 1 73 53 PHE . 25921 1 74 54 ARG . 25921 1 75 55 THR . 25921 1 76 56 THR . 25921 1 77 57 TYR . 25921 1 78 58 ASP . 25921 1 79 59 ARG . 25921 1 80 60 SER . 25921 1 81 61 ASN . 25921 1 82 62 ALA . 25921 1 83 63 SER . 25921 1 84 64 LEU . 25921 1 85 65 SER . 25921 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25921 1 . GLY 2 2 25921 1 . SER 3 3 25921 1 . SER 4 4 25921 1 . HIS 5 5 25921 1 . HIS 6 6 25921 1 . HIS 7 7 25921 1 . HIS 8 8 25921 1 . HIS 9 9 25921 1 . HIS 10 10 25921 1 . SER 11 11 25921 1 . SER 12 12 25921 1 . GLY 13 13 25921 1 . LEU 14 14 25921 1 . VAL 15 15 25921 1 . PRO 16 16 25921 1 . ARG 17 17 25921 1 . GLY 18 18 25921 1 . SER 19 19 25921 1 . HIS 20 20 25921 1 . MET 21 21 25921 1 . SER 22 22 25921 1 . THR 23 23 25921 1 . GLN 24 24 25921 1 . GLN 25 25 25921 1 . GLN 26 26 25921 1 . ALA 27 27 25921 1 . ARG 28 28 25921 1 . ALA 29 29 25921 1 . LEU 30 30 25921 1 . MET 31 31 25921 1 . MET 32 32 25921 1 . ARG 33 33 25921 1 . HIS 34 34 25921 1 . HIS 35 35 25921 1 . GLN 36 36 25921 1 . PHE 37 37 25921 1 . ILE 38 38 25921 1 . LYS 39 39 25921 1 . ASN 40 40 25921 1 . ARG 41 41 25921 1 . GLN 42 42 25921 1 . GLN 43 43 25921 1 . SER 44 44 25921 1 . MET 45 45 25921 1 . LEU 46 46 25921 1 . SER 47 47 25921 1 . ARG 48 48 25921 1 . ALA 49 49 25921 1 . ALA 50 50 25921 1 . ALA 51 51 25921 1 . GLU 52 52 25921 1 . ILE 53 53 25921 1 . GLY 54 54 25921 1 . VAL 55 55 25921 1 . GLU 56 56 25921 1 . ALA 57 57 25921 1 . GLU 58 58 25921 1 . LYS 59 59 25921 1 . ASP 60 60 25921 1 . PHE 61 61 25921 1 . TRP 62 62 25921 1 . THR 63 63 25921 1 . THR 64 64 25921 1 . VAL 65 65 25921 1 . GLN 66 66 25921 1 . GLY 67 67 25921 1 . LYS 68 68 25921 1 . PRO 69 69 25921 1 . GLN 70 70 25921 1 . SER 71 71 25921 1 . SER 72 72 25921 1 . PHE 73 73 25921 1 . ARG 74 74 25921 1 . THR 75 75 25921 1 . THR 76 76 25921 1 . TYR 77 77 25921 1 . ASP 78 78 25921 1 . ARG 79 79 25921 1 . SER 80 80 25921 1 . ASN 81 81 25921 1 . ALA 82 82 25921 1 . SER 83 83 25921 1 . LEU 84 84 25921 1 . SER 85 85 25921 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 25921 _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 $IF7 . 1148 organism . 'Synechocystis sp. PCC 6803' cyanobacteria . . Bacteria . Synechocystis 'sp. PPC 6803' . . . . . . . . . . . . . 25921 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 25921 _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 $IF7 . 'recombinant technology' 'E.coli (BL21)' . . 511693 E.coli (BL21) . . . . . . pet24 . . . 25921 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25921 _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 IF7 '[U-99% 13C; U-99% 15N]' . . 1 $IF7 . protein 1.7 . . mM . . . . 25921 1 2 'ammonium acetate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 25921 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25921 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25921 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 25921 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 25921 _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 pH 4.5 . pH 25921 1 pressure 1 . atm 25921 1 temperature 298 . K 25921 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25921 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 216 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25921 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25921 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25921 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25921 2 'peak picking' 25921 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25921 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25921 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25921 3 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 25921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25921 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25921 _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 . 800 . . . 25921 1 2 spectrometer_2 Bruker Avance . 500 . . . 25921 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 25921 _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 . . . . . . . . . . . . . . . . 25921 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 5 '3D HNCA-intra' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 7 '3D HNCACB-intra' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 9 '2D 15N-13CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 10 '3D (H)N(COCA)NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 11 '3D (HN)CO(CA)NCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25921 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25921 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 25921 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . 25921 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 25921 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . 25921 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 25921 _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 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.25 _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' 1 $sample_1 isotropic 25921 1 2 '3D HNCO' 1 $sample_1 isotropic 25921 1 3 '3D HN(CO)CA' 1 $sample_1 isotropic 25921 1 4 '3D HNCA' 1 $sample_1 isotropic 25921 1 5 '3D HNCA-intra' 1 $sample_1 isotropic 25921 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25921 1 7 '3D HNCACB-intra' 1 $sample_1 isotropic 25921 1 8 '3D HBHA(CO)NH' 1 $sample_1 isotropic 25921 1 9 '2D 15N-13CO' 1 $sample_1 isotropic 25921 1 10 '3D (H)N(COCA)NCO' 1 $sample_1 isotropic 25921 1 11 '3D (HN)CO(CA)NCO' 1 $sample_1 isotropic 25921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.532 0.3 . 1 . . . . -17 S HA . 25921 1 2 . 1 1 3 3 SER HB2 H 1 3.828 0.3 . 2 . . . . -17 S QB . 25921 1 3 . 1 1 3 3 SER HB3 H 1 3.828 0.3 . 2 . . . . -17 S QB . 25921 1 4 . 1 1 3 3 SER C C 13 174.439 0.4 . 1 . . . . -17 S C . 25921 1 5 . 1 1 3 3 SER CA C 13 58.055 0.4 . 1 . . . . -17 S CA . 25921 1 6 . 1 1 3 3 SER CB C 13 63.914 0.4 . 1 . . . . -17 S CB . 25921 1 7 . 1 1 4 4 SER H H 1 8.460 0.02 . 1 . . . . -16 S HN . 25921 1 8 . 1 1 4 4 SER CA C 13 58.324 0.4 . 1 . . . . -16 S CA . 25921 1 9 . 1 1 4 4 SER CB C 13 63.601 0.4 . 1 . . . . -16 S CB . 25921 1 10 . 1 1 4 4 SER N N 15 117.669 0.25 . 1 . . . . -16 S N . 25921 1 11 . 1 1 10 10 HIS HA H 1 4.673 0.3 . 1 . . . . -10 H HA . 25921 1 12 . 1 1 10 10 HIS HB2 H 1 3.170 0.3 . 2 . . . . -10 H QB . 25921 1 13 . 1 1 10 10 HIS HB3 H 1 3.170 0.3 . 2 . . . . -10 H QB . 25921 1 14 . 1 1 10 10 HIS C C 13 174.328 0.4 . 1 . . . . -10 H C . 25921 1 15 . 1 1 10 10 HIS CA C 13 55.514 0.4 . 1 . . . . -10 H CA . 25921 1 16 . 1 1 10 10 HIS CB C 13 29.431 0.4 . 1 . . . . -10 H CB . 25921 1 17 . 1 1 11 11 SER H H 1 8.498 0.02 . 1 . . . . -9 S HN . 25921 1 18 . 1 1 11 11 SER HA H 1 4.485 0.3 . 1 . . . . -9 S HA . 25921 1 19 . 1 1 11 11 SER HB2 H 1 3.828 0.3 . 2 . . . . -9 S QB . 25921 1 20 . 1 1 11 11 SER HB3 H 1 3.828 0.3 . 2 . . . . -9 S QB . 25921 1 21 . 1 1 11 11 SER C C 13 174.324 0.4 . 1 . . . . -9 S C . 25921 1 22 . 1 1 11 11 SER CA C 13 58.062 0.4 . 1 . . . . -9 S CA . 25921 1 23 . 1 1 11 11 SER CB C 13 63.921 0.4 . 1 . . . . -9 S CB . 25921 1 24 . 1 1 11 11 SER N N 15 118.283 0.25 . 1 . . . . -9 S N . 25921 1 25 . 1 1 12 12 SER H H 1 8.532 0.02 . 1 . . . . -8 S HN . 25921 1 26 . 1 1 12 12 SER HA H 1 4.497 0.3 . 1 . . . . -8 S HA . 25921 1 27 . 1 1 12 12 SER HB2 H 1 3.886 0.3 . 2 . . . . -8 S QB . 25921 1 28 . 1 1 12 12 SER HB3 H 1 3.886 0.3 . 2 . . . . -8 S QB . 25921 1 29 . 1 1 12 12 SER C C 13 174.792 0.4 . 1 . . . . -8 S C . 25921 1 30 . 1 1 12 12 SER CA C 13 58.650 0.4 . 1 . . . . -8 S CA . 25921 1 31 . 1 1 12 12 SER CB C 13 63.908 0.4 . 1 . . . . -8 S CB . 25921 1 32 . 1 1 12 12 SER N N 15 118.132 0.25 . 1 . . . . -8 S N . 25921 1 33 . 1 1 13 13 GLY H H 1 8.399 0.02 . 1 . . . . -7 G HN . 25921 1 34 . 1 1 13 13 GLY HA2 H 1 4.423 0.3 . 2 . . . . -7 G QA . 25921 1 35 . 1 1 13 13 GLY HA3 H 1 4.423 0.3 . 2 . . . . -7 G QA . 25921 1 36 . 1 1 13 13 GLY C C 13 173.798 0.4 . 1 . . . . -7 G C . 25921 1 37 . 1 1 13 13 GLY CA C 13 45.279 0.4 . 1 . . . . -7 G CA . 25921 1 38 . 1 1 13 13 GLY N N 15 110.436 0.25 . 1 . . . . -7 G N . 25921 1 39 . 1 1 14 14 LEU H H 1 8.090 0.02 . 1 . . . . -6 L HN . 25921 1 40 . 1 1 14 14 LEU HA H 1 4.367 0.3 . 1 . . . . -6 L HA . 25921 1 41 . 1 1 14 14 LEU HB2 H 1 1.528 0.3 . 2 . . . . -6 L QB . 25921 1 42 . 1 1 14 14 LEU HB3 H 1 1.528 0.3 . 2 . . . . -6 L QB . 25921 1 43 . 1 1 14 14 LEU C C 13 177.188 0.4 . 1 . . . . -6 L C . 25921 1 44 . 1 1 14 14 LEU CA C 13 55.258 0.4 . 1 . . . . -6 L CA . 25921 1 45 . 1 1 14 14 LEU CB C 13 42.458 0.4 . 1 . . . . -6 L CB . 25921 1 46 . 1 1 14 14 LEU N N 15 121.645 0.25 . 1 . . . . -6 L N . 25921 1 47 . 1 1 15 15 VAL H H 1 8.173 0.02 . 1 . . . . -5 V HN . 25921 1 48 . 1 1 15 15 VAL C C 13 174.472 0.4 . 1 . . . . -5 V C . 25921 1 49 . 1 1 15 15 VAL CA C 13 59.912 0.4 . 1 . . . . -5 V CA . 25921 1 50 . 1 1 15 15 VAL CB C 13 32.671 0.4 . 1 . . . . -5 V CB . 25921 1 51 . 1 1 15 15 VAL N N 15 123.216 0.25 . 1 . . . . -5 V N . 25921 1 52 . 1 1 16 16 PRO HA H 1 4.368 0.3 . 1 . . . . -4 P HA . 25921 1 53 . 1 1 16 16 PRO HB2 H 1 2.262 0.3 . 1 . . . . -4 P HB2 . 25921 1 54 . 1 1 16 16 PRO HB3 H 1 1.844 0.3 . 1 . . . . -4 P HB3 . 25921 1 55 . 1 1 16 16 PRO C C 13 176.858 0.4 . 1 . . . . -4 P C . 25921 1 56 . 1 1 16 16 PRO CA C 13 63.016 0.4 . 1 . . . . -4 P CA . 25921 1 57 . 1 1 16 16 PRO CB C 13 31.691 0.4 . 1 . . . . -4 P CB . 25921 1 58 . 1 1 17 17 ARG H H 1 8.468 0.02 . 1 . . . . -3 R HN . 25921 1 59 . 1 1 17 17 ARG HA H 1 4.279 0.3 . 1 . . . . -3 R HA . 25921 1 60 . 1 1 17 17 ARG HB2 H 1 1.795 0.3 . 2 . . . . -3 R QB . 25921 1 61 . 1 1 17 17 ARG HB3 H 1 1.795 0.3 . 2 . . . . -3 R QB . 25921 1 62 . 1 1 17 17 ARG C C 13 177.031 0.4 . 1 . . . . -3 R C . 25921 1 63 . 1 1 17 17 ARG CA C 13 56.719 0.4 . 1 . . . . -3 R CA . 25921 1 64 . 1 1 17 17 ARG CB C 13 30.938 0.4 . 1 . . . . -3 R CB . 25921 1 65 . 1 1 17 17 ARG N N 15 121.848 0.25 . 1 . . . . -3 R N . 25921 1 66 . 1 1 18 18 GLY H H 1 8.450 0.02 . 1 . . . . -2 G HN . 25921 1 67 . 1 1 18 18 GLY HA2 H 1 3.968 0.3 . 2 . . . . -2 G QA . 25921 1 68 . 1 1 18 18 GLY HA3 H 1 3.968 0.3 . 2 . . . . -2 G QA . 25921 1 69 . 1 1 18 18 GLY C C 13 174.107 0.4 . 1 . . . . -2 G C . 25921 1 70 . 1 1 18 18 GLY CA C 13 45.173 0.4 . 1 . . . . -2 G CA . 25921 1 71 . 1 1 18 18 GLY N N 15 110.082 0.25 . 1 . . . . -2 G N . 25921 1 72 . 1 1 19 19 SER H H 1 8.186 0.02 . 1 . . . . -1 S HN . 25921 1 73 . 1 1 19 19 SER HA H 1 4.453 0.3 . 1 . . . . -1 S HA . 25921 1 74 . 1 1 19 19 SER HB2 H 1 3.790 0.3 . 2 . . . . -1 S QB . 25921 1 75 . 1 1 19 19 SER HB3 H 1 3.790 0.3 . 2 . . . . -1 S QB . 25921 1 76 . 1 1 19 19 SER C C 13 174.515 0.4 . 1 . . . . -1 S C . 25921 1 77 . 1 1 19 19 SER CA C 13 58.356 0.4 . 1 . . . . -1 S CA . 25921 1 78 . 1 1 19 19 SER CB C 13 63.928 0.4 . 1 . . . . -1 S CB . 25921 1 79 . 1 1 19 19 SER N N 15 115.115 0.25 . 1 . . . . -1 S N . 25921 1 80 . 1 1 20 20 HIS H H 1 8.608 0.02 . 1 . . . . 0 H HN . 25921 1 81 . 1 1 20 20 HIS HA H 1 4.659 0.3 . 1 . . . . 0 H HA . 25921 1 82 . 1 1 20 20 HIS HB2 H 1 3.203 0.3 . 2 . . . . 0 H QB . 25921 1 83 . 1 1 20 20 HIS HB3 H 1 3.203 0.3 . 2 . . . . 0 H QB . 25921 1 84 . 1 1 20 20 HIS C C 13 174.511 0.4 . 1 . . . . 0 H C . 25921 1 85 . 1 1 20 20 HIS CA C 13 55.739 0.4 . 1 . . . . 0 H CA . 25921 1 86 . 1 1 20 20 HIS CB C 13 28.778 0.4 . 1 . . . . 0 H CB . 25921 1 87 . 1 1 20 20 HIS N N 15 120.274 0.25 . 1 . . . . 0 H N . 25921 1 88 . 1 1 21 21 MET H H 1 8.381 0.02 . 1 . . . . 1 M HN . 25921 1 89 . 1 1 21 21 MET HA H 1 4.485 0.3 . 1 . . . . 1 M HA . 25921 1 90 . 1 1 21 21 MET HB2 H 1 1.997 0.3 . 2 . . . . 1 M QB . 25921 1 91 . 1 1 21 21 MET HB3 H 1 1.997 0.3 . 2 . . . . 1 M QB . 25921 1 92 . 1 1 21 21 MET C C 13 176.404 0.4 . 1 . . . . 1 M C . 25921 1 93 . 1 1 21 21 MET CA C 13 55.914 0.4 . 1 . . . . 1 M CA . 25921 1 94 . 1 1 21 21 MET CB C 13 33.359 0.4 . 1 . . . . 1 M CB . 25921 1 95 . 1 1 21 21 MET N N 15 121.424 0.25 . 1 . . . . 1 M N . 25921 1 96 . 1 1 22 22 SER H H 1 8.548 0.02 . 1 . . . . 2 S HN . 25921 1 97 . 1 1 22 22 SER HA H 1 3.968 0.3 . 1 . . . . 2 S HA . 25921 1 98 . 1 1 22 22 SER HB2 H 1 4.532 0.3 . 2 . . . . 2 S QB . 25921 1 99 . 1 1 22 22 SER HB3 H 1 4.532 0.3 . 2 . . . . 2 S QB . 25921 1 100 . 1 1 22 22 SER C C 13 175.151 0.4 . 1 . . . . 2 S C . 25921 1 101 . 1 1 22 22 SER CA C 13 58.340 0.4 . 1 . . . . 2 S CA . 25921 1 102 . 1 1 22 22 SER CB C 13 64.175 0.4 . 1 . . . . 2 S CB . 25921 1 103 . 1 1 22 22 SER N N 15 117.908 0.25 . 1 . . . . 2 S N . 25921 1 104 . 1 1 23 23 THR H H 1 8.426 0.02 . 1 . . . . 3 T HN . 25921 1 105 . 1 1 23 23 THR HA H 1 4.230 0.3 . 1 . . . . 3 T HA . 25921 1 106 . 1 1 23 23 THR C C 13 175.661 0.4 . 1 . . . . 3 T C . 25921 1 107 . 1 1 23 23 THR CA C 13 63.637 0.4 . 1 . . . . 3 T CA . 25921 1 108 . 1 1 23 23 THR CB C 13 69.482 0.4 . 1 . . . . 3 T CB . 25921 1 109 . 1 1 23 23 THR N N 15 115.882 0.25 . 1 . . . . 3 T N . 25921 1 110 . 1 1 24 24 GLN H H 1 8.453 0.02 . 1 . . . . 4 Q HN . 25921 1 111 . 1 1 24 24 GLN HA H 1 4.221 0.3 . 1 . . . . 4 Q HA . 25921 1 112 . 1 1 24 24 GLN HB2 H 1 2.062 0.3 . 2 . . . . 4 Q QB . 25921 1 113 . 1 1 24 24 GLN HB3 H 1 2.062 0.3 . 2 . . . . 4 Q QB . 25921 1 114 . 1 1 24 24 GLN C C 13 177.237 0.4 . 1 . . . . 4 Q C . 25921 1 115 . 1 1 24 24 GLN CA C 13 57.798 0.4 . 1 . . . . 4 Q CA . 25921 1 116 . 1 1 24 24 GLN CB C 13 28.502 0.4 . 1 . . . . 4 Q CB . 25921 1 117 . 1 1 24 24 GLN N N 15 121.773 0.25 . 1 . . . . 4 Q N . 25921 1 118 . 1 1 25 25 GLN H H 1 8.275 0.02 . 1 . . . . 5 Q HN . 25921 1 119 . 1 1 25 25 GLN HA H 1 4.212 0.3 . 1 . . . . 5 Q HA . 25921 1 120 . 1 1 25 25 GLN HB2 H 1 2.056 0.3 . 2 . . . . 5 Q QB . 25921 1 121 . 1 1 25 25 GLN HB3 H 1 2.056 0.3 . 2 . . . . 5 Q QB . 25921 1 122 . 1 1 25 25 GLN C C 13 177.348 0.4 . 1 . . . . 5 Q C . 25921 1 123 . 1 1 25 25 GLN CA C 13 57.701 0.4 . 1 . . . . 5 Q CA . 25921 1 124 . 1 1 25 25 GLN CB C 13 28.708 0.4 . 1 . . . . 5 Q CB . 25921 1 125 . 1 1 25 25 GLN N N 15 120.599 0.25 . 1 . . . . 5 Q N . 25921 1 126 . 1 1 26 26 GLN H H 1 8.356 0.02 . 1 . . . . 6 Q HN . 25921 1 127 . 1 1 26 26 GLN HA H 1 4.143 0.3 . 1 . . . . 6 Q HA . 25921 1 128 . 1 1 26 26 GLN HB2 H 1 2.082 0.3 . 2 . . . . 6 Q QB . 25921 1 129 . 1 1 26 26 GLN HB3 H 1 2.082 0.3 . 2 . . . . 6 Q QB . 25921 1 130 . 1 1 26 26 GLN C C 13 176.923 0.4 . 1 . . . . 6 Q C . 25921 1 131 . 1 1 26 26 GLN CA C 13 56.856 0.4 . 1 . . . . 6 Q CA . 25921 1 132 . 1 1 26 26 GLN CB C 13 29.030 0.4 . 1 . . . . 6 Q CB . 25921 1 133 . 1 1 26 26 GLN N N 15 120.750 0.25 . 1 . . . . 6 Q N . 25921 1 134 . 1 1 27 27 ALA H H 1 8.184 0.02 . 1 . . . . 7 A HN . 25921 1 135 . 1 1 27 27 ALA HA H 1 4.203 0.3 . 1 . . . . 7 A HA . 25921 1 136 . 1 1 27 27 ALA HB1 H 1 1.433 0.3 . 1 . . . . 7 A QB . 25921 1 137 . 1 1 27 27 ALA HB2 H 1 1.433 0.3 . 1 . . . . 7 A QB . 25921 1 138 . 1 1 27 27 ALA HB3 H 1 1.433 0.3 . 1 . . . . 7 A QB . 25921 1 139 . 1 1 27 27 ALA C C 13 179.193 0.4 . 1 . . . . 7 A C . 25921 1 140 . 1 1 27 27 ALA CA C 13 54.029 0.4 . 1 . . . . 7 A CA . 25921 1 141 . 1 1 27 27 ALA CB C 13 18.571 0.4 . 1 . . . . 7 A CB . 25921 1 142 . 1 1 27 27 ALA N N 15 123.450 0.25 . 1 . . . . 7 A N . 25921 1 143 . 1 1 28 28 ARG H H 1 8.099 0.02 . 1 . . . . 8 R HN . 25921 1 144 . 1 1 28 28 ARG HA H 1 4.098 0.3 . 1 . . . . 8 R HA . 25921 1 145 . 1 1 28 28 ARG HB2 H 1 1.842 0.3 . 2 . . . . 8 R QB . 25921 1 146 . 1 1 28 28 ARG HB3 H 1 1.842 0.3 . 2 . . . . 8 R QB . 25921 1 147 . 1 1 28 28 ARG C C 13 177.448 0.4 . 1 . . . . 8 R C . 25921 1 148 . 1 1 28 28 ARG CA C 13 58.279 0.4 . 1 . . . . 8 R CA . 25921 1 149 . 1 1 28 28 ARG CB C 13 30.135 0.4 . 1 . . . . 8 R CB . 25921 1 150 . 1 1 28 28 ARG N N 15 119.264 0.25 . 1 . . . . 8 R N . 25921 1 151 . 1 1 29 29 ALA H H 1 8.069 0.02 . 1 . . . . 9 A HN . 25921 1 152 . 1 1 29 29 ALA HA H 1 4.156 0.3 . 1 . . . . 9 A HA . 25921 1 153 . 1 1 29 29 ALA HB1 H 1 1.433 0.3 . 1 . . . . 9 A QB . 25921 1 154 . 1 1 29 29 ALA HB2 H 1 1.433 0.3 . 1 . . . . 9 A QB . 25921 1 155 . 1 1 29 29 ALA HB3 H 1 1.433 0.3 . 1 . . . . 9 A QB . 25921 1 156 . 1 1 29 29 ALA C C 13 179.159 0.4 . 1 . . . . 9 A C . 25921 1 157 . 1 1 29 29 ALA CA C 13 54.111 0.4 . 1 . . . . 9 A CA . 25921 1 158 . 1 1 29 29 ALA CB C 13 18.656 0.4 . 1 . . . . 9 A CB . 25921 1 159 . 1 1 29 29 ALA N N 15 122.707 0.25 . 1 . . . . 9 A N . 25921 1 160 . 1 1 30 30 LEU H H 1 7.938 0.02 . 1 . . . . 10 L HN . 25921 1 161 . 1 1 30 30 LEU HA H 1 4.156 0.3 . 1 . . . . 10 L HA . 25921 1 162 . 1 1 30 30 LEU HB2 H 1 1.668 0.3 . 2 . . . . 10 L QB . 25921 1 163 . 1 1 30 30 LEU HB3 H 1 1.668 0.3 . 2 . . . . 10 L QB . 25921 1 164 . 1 1 30 30 LEU C C 13 178.470 0.4 . 1 . . . . 10 L C . 25921 1 165 . 1 1 30 30 LEU CA C 13 56.829 0.4 . 1 . . . . 10 L CA . 25921 1 166 . 1 1 30 30 LEU CB C 13 41.946 0.4 . 1 . . . . 10 L CB . 25921 1 167 . 1 1 30 30 LEU N N 15 119.345 0.25 . 1 . . . . 10 L N . 25921 1 168 . 1 1 31 31 MET H H 1 7.980 0.02 . 1 . . . . 11 M HN . 25921 1 169 . 1 1 31 31 MET HA H 1 4.250 0.3 . 1 . . . . 11 M HA . 25921 1 170 . 1 1 31 31 MET HB2 H 1 2.091 0.3 . 2 . . . . 11 M QB . 25921 1 171 . 1 1 31 31 MET HB3 H 1 2.091 0.3 . 2 . . . . 11 M QB . 25921 1 172 . 1 1 31 31 MET C C 13 177.174 0.4 . 1 . . . . 11 M C . 25921 1 173 . 1 1 31 31 MET CA C 13 56.874 0.4 . 1 . . . . 11 M CA . 25921 1 174 . 1 1 31 31 MET CB C 13 32.282 0.4 . 1 . . . . 11 M CB . 25921 1 175 . 1 1 31 31 MET N N 15 119.241 0.25 . 1 . . . . 11 M N . 25921 1 176 . 1 1 32 32 MET H H 1 8.091 0.02 . 1 . . . . 12 M HN . 25921 1 177 . 1 1 32 32 MET HA H 1 4.295 0.3 . 1 . . . . 12 M HA . 25921 1 178 . 1 1 32 32 MET HB2 H 1 1.974 0.3 . 2 . . . . 12 M QB . 25921 1 179 . 1 1 32 32 MET HB3 H 1 1.974 0.3 . 2 . . . . 12 M QB . 25921 1 180 . 1 1 32 32 MET C C 13 176.922 0.4 . 1 . . . . 12 M C . 25921 1 181 . 1 1 32 32 MET CA C 13 56.631 0.4 . 1 . . . . 12 M CA . 25921 1 182 . 1 1 32 32 MET CB C 13 32.584 0.4 . 1 . . . . 12 M CB . 25921 1 183 . 1 1 32 32 MET N N 15 119.392 0.25 . 1 . . . . 12 M N . 25921 1 184 . 1 1 33 33 ARG H H 1 8.013 0.02 . 1 . . . . 13 R HN . 25921 1 185 . 1 1 33 33 ARG HA H 1 4.203 0.3 . 1 . . . . 13 R HA . 25921 1 186 . 1 1 33 33 ARG HB2 H 1 1.762 0.3 . 2 . . . . 13 R QB . 25921 1 187 . 1 1 33 33 ARG HB3 H 1 1.762 0.3 . 2 . . . . 13 R QB . 25921 1 188 . 1 1 33 33 ARG C C 13 176.667 0.4 . 1 . . . . 13 R C . 25921 1 189 . 1 1 33 33 ARG CA C 13 56.865 0.4 . 1 . . . . 13 R CA . 25921 1 190 . 1 1 33 33 ARG CB C 13 30.226 0.4 . 1 . . . . 13 R CB . 25921 1 191 . 1 1 33 33 ARG N N 15 120.561 0.25 . 1 . . . . 13 R N . 25921 1 192 . 1 1 34 34 HIS H H 1 8.304 0.02 . 1 . . . . 14 H HN . 25921 1 193 . 1 1 34 34 HIS HA H 1 4.579 0.3 . 1 . . . . 14 H HA . 25921 1 194 . 1 1 34 34 HIS HB2 H 1 3.170 0.3 . 2 . . . . 14 H QB . 25921 1 195 . 1 1 34 34 HIS HB3 H 1 3.170 0.3 . 2 . . . . 14 H QB . 25921 1 196 . 1 1 34 34 HIS C C 13 174.720 0.4 . 1 . . . . 14 H C . 25921 1 197 . 1 1 34 34 HIS CA C 13 55.666 0.4 . 1 . . . . 14 H CA . 25921 1 198 . 1 1 34 34 HIS CB C 13 28.707 0.4 . 1 . . . . 14 H CB . 25921 1 199 . 1 1 34 34 HIS N N 15 118.230 0.25 . 1 . . . . 14 H N . 25921 1 200 . 1 1 35 35 HIS H H 1 8.413 0.02 . 1 . . . . 15 H HN . 25921 1 201 . 1 1 35 35 HIS HA H 1 4.527 0.3 . 1 . . . . 15 H HA . 25921 1 202 . 1 1 35 35 HIS HB2 H 1 3.112 0.3 . 2 . . . . 15 H QB . 25921 1 203 . 1 1 35 35 HIS HB3 H 1 3.112 0.3 . 2 . . . . 15 H QB . 25921 1 204 . 1 1 35 35 HIS C C 13 174.409 0.4 . 1 . . . . 15 H C . 25921 1 205 . 1 1 35 35 HIS CA C 13 56.069 0.4 . 1 . . . . 15 H CA . 25921 1 206 . 1 1 35 35 HIS CB C 13 29.138 0.4 . 1 . . . . 15 H CB . 25921 1 207 . 1 1 35 35 HIS N N 15 119.098 0.25 . 1 . . . . 15 H N . 25921 1 208 . 1 1 36 36 GLN H H 1 8.338 0.02 . 1 . . . . 16 Q HN . 25921 1 209 . 1 1 36 36 GLN HA H 1 4.252 0.3 . 1 . . . . 16 Q HA . 25921 1 210 . 1 1 36 36 GLN HB2 H 1 1.927 0.3 . 2 . . . . 16 Q QB . 25921 1 211 . 1 1 36 36 GLN HB3 H 1 1.927 0.3 . 2 . . . . 16 Q QB . 25921 1 212 . 1 1 36 36 GLN C C 13 175.517 0.4 . 1 . . . . 16 Q C . 25921 1 213 . 1 1 36 36 GLN CA C 13 56.153 0.4 . 1 . . . . 16 Q CA . 25921 1 214 . 1 1 36 36 GLN CB C 13 29.496 0.4 . 1 . . . . 16 Q CB . 25921 1 215 . 1 1 36 36 GLN N N 15 120.973 0.25 . 1 . . . . 16 Q N . 25921 1 216 . 1 1 37 37 PHE H H 1 8.338 0.02 . 1 . . . . 17 F HN . 25921 1 217 . 1 1 37 37 PHE HA H 1 4.601 0.3 . 1 . . . . 17 F HA . 25921 1 218 . 1 1 37 37 PHE HB2 H 1 3.055 0.3 . 2 . . . . 17 F QB . 25921 1 219 . 1 1 37 37 PHE HB3 H 1 3.055 0.3 . 2 . . . . 17 F QB . 25921 1 220 . 1 1 37 37 PHE C C 13 175.567 0.4 . 1 . . . . 17 F C . 25921 1 221 . 1 1 37 37 PHE CA C 13 58.128 0.4 . 1 . . . . 17 F CA . 25921 1 222 . 1 1 37 37 PHE CB C 13 39.385 0.4 . 1 . . . . 17 F CB . 25921 1 223 . 1 1 37 37 PHE N N 15 121.674 0.25 . 1 . . . . 17 F N . 25921 1 224 . 1 1 38 38 ILE H H 1 8.023 0.02 . 1 . . . . 18 I HN . 25921 1 225 . 1 1 38 38 ILE HA H 1 4.004 0.3 . 1 . . . . 18 I HA . 25921 1 226 . 1 1 38 38 ILE HB H 1 1.750 0.3 . 1 . . . . 18 I HB . 25921 1 227 . 1 1 38 38 ILE C C 13 176.078 0.4 . 1 . . . . 18 I C . 25921 1 228 . 1 1 38 38 ILE CA C 13 61.375 0.4 . 1 . . . . 18 I CA . 25921 1 229 . 1 1 38 38 ILE CB C 13 38.531 0.4 . 1 . . . . 18 I CB . 25921 1 230 . 1 1 38 38 ILE N N 15 122.810 0.25 . 1 . . . . 18 I N . 25921 1 231 . 1 1 39 39 LYS H H 1 8.264 0.02 . 1 . . . . 19 K HN . 25921 1 232 . 1 1 39 39 LYS HA H 1 4.156 0.3 . 1 . . . . 19 K HA . 25921 1 233 . 1 1 39 39 LYS HB2 H 1 1.762 0.3 . 2 . . . . 19 K QB . 25921 1 234 . 1 1 39 39 LYS HB3 H 1 1.762 0.3 . 2 . . . . 19 K QB . 25921 1 235 . 1 1 39 39 LYS C C 13 176.391 0.4 . 1 . . . . 19 K C . 25921 1 236 . 1 1 39 39 LYS CA C 13 57.204 0.4 . 1 . . . . 19 K CA . 25921 1 237 . 1 1 39 39 LYS CB C 13 32.890 0.4 . 1 . . . . 19 K CB . 25921 1 238 . 1 1 39 39 LYS N N 15 124.903 0.25 . 1 . . . . 19 K N . 25921 1 239 . 1 1 40 40 ASN H H 1 8.348 0.02 . 1 . . . . 20 N HN . 25921 1 240 . 1 1 40 40 ASN HA H 1 4.611 0.3 . 1 . . . . 20 N HA . 25921 1 241 . 1 1 40 40 ASN HB2 H 1 2.779 0.3 . 2 . . . . 20 N QB . 25921 1 242 . 1 1 40 40 ASN HB3 H 1 2.779 0.3 . 2 . . . . 20 N QB . 25921 1 243 . 1 1 40 40 ASN C C 13 175.399 0.4 . 1 . . . . 20 N C . 25921 1 244 . 1 1 40 40 ASN CA C 13 53.332 0.4 . 1 . . . . 20 N CA . 25921 1 245 . 1 1 40 40 ASN CB C 13 38.394 0.4 . 1 . . . . 20 N CB . 25921 1 246 . 1 1 40 40 ASN N N 15 119.200 0.25 . 1 . . . . 20 N N . 25921 1 247 . 1 1 41 41 ARG H H 1 8.291 0.02 . 1 . . . . 21 R HN . 25921 1 248 . 1 1 41 41 ARG C C 13 176.482 0.4 . 1 . . . . 21 R C . 25921 1 249 . 1 1 41 41 ARG CA C 13 57.099 0.4 . 1 . . . . 21 R CA . 25921 1 250 . 1 1 41 41 ARG CB C 13 30.425 0.4 . 1 . . . . 21 R CB . 25921 1 251 . 1 1 41 41 ARG N N 15 121.221 0.25 . 1 . . . . 21 R N . 25921 1 252 . 1 1 42 42 GLN H H 1 8.363 0.02 . 1 . . . . 22 Q HN . 25921 1 253 . 1 1 42 42 GLN C C 13 176.604 0.4 . 1 . . . . 22 Q C . 25921 1 254 . 1 1 42 42 GLN N N 15 120.533 0.25 . 1 . . . . 22 Q N . 25921 1 255 . 1 1 43 43 GLN H H 1 8.363 0.02 . 1 . . . . 23 Q HN . 25921 1 256 . 1 1 43 43 GLN HA H 1 4.250 0.3 . 1 . . . . 23 Q HA . 25921 1 257 . 1 1 43 43 GLN HB2 H 1 2.044 0.3 . 2 . . . . 23 Q QB . 25921 1 258 . 1 1 43 43 GLN HB3 H 1 2.044 0.3 . 2 . . . . 23 Q QB . 25921 1 259 . 1 1 43 43 GLN C C 13 176.402 0.4 . 1 . . . . 23 Q C . 25921 1 260 . 1 1 43 43 GLN CA C 13 56.588 0.4 . 1 . . . . 23 Q CA . 25921 1 261 . 1 1 43 43 GLN CB C 13 29.051 0.4 . 1 . . . . 23 Q CB . 25921 1 262 . 1 1 43 43 GLN N N 15 120.740 0.25 . 1 . . . . 23 Q N . 25921 1 263 . 1 1 44 44 SER H H 1 8.310 0.02 . 1 . . . . 24 S HN . 25921 1 264 . 1 1 44 44 SER HA H 1 4.394 0.3 . 1 . . . . 24 S HA . 25921 1 265 . 1 1 44 44 SER HB2 H 1 3.866 0.3 . 2 . . . . 24 S QB . 25921 1 266 . 1 1 44 44 SER HB3 H 1 3.866 0.3 . 2 . . . . 24 S QB . 25921 1 267 . 1 1 44 44 SER C C 13 174.845 0.4 . 1 . . . . 24 S C . 25921 1 268 . 1 1 44 44 SER CA C 13 58.937 0.4 . 1 . . . . 24 S CA . 25921 1 269 . 1 1 44 44 SER CB C 13 63.919 0.4 . 1 . . . . 24 S CB . 25921 1 270 . 1 1 44 44 SER N N 15 116.275 0.25 . 1 . . . . 24 S N . 25921 1 271 . 1 1 45 45 MET H H 1 8.322 0.02 . 1 . . . . 25 M HN . 25921 1 272 . 1 1 45 45 MET HB2 H 1 2.053 0.3 . 2 . . . . 25 M QB . 25921 1 273 . 1 1 45 45 MET HB3 H 1 2.053 0.3 . 2 . . . . 25 M QB . 25921 1 274 . 1 1 45 45 MET C C 13 176.589 0.4 . 1 . . . . 25 M C . 25921 1 275 . 1 1 45 45 MET CA C 13 56.172 0.4 . 1 . . . . 25 M CA . 25921 1 276 . 1 1 45 45 MET CB C 13 32.741 0.4 . 1 . . . . 25 M CB . 25921 1 277 . 1 1 45 45 MET N N 15 121.568 0.25 . 1 . . . . 25 M N . 25921 1 278 . 1 1 46 46 LEU H H 1 8.100 0.02 . 1 . . . . 26 L HN . 25921 1 279 . 1 1 46 46 LEU HA H 1 4.297 0.3 . 1 . . . . 26 L HA . 25921 1 280 . 1 1 46 46 LEU HB2 H 1 1.621 0.3 . 2 . . . . 26 L QB . 25921 1 281 . 1 1 46 46 LEU HB3 H 1 1.621 0.3 . 2 . . . . 26 L QB . 25921 1 282 . 1 1 46 46 LEU C C 13 177.674 0.4 . 1 . . . . 26 L C . 25921 1 283 . 1 1 46 46 LEU CA C 13 55.857 0.4 . 1 . . . . 26 L CA . 25921 1 284 . 1 1 46 46 LEU CB C 13 45.323 0.4 . 1 . . . . 26 L CB . 25921 1 285 . 1 1 46 46 LEU N N 15 121.684 0.25 . 1 . . . . 26 L N . 25921 1 286 . 1 1 47 47 SER H H 1 8.151 0.02 . 1 . . . . 27 S HN . 25921 1 287 . 1 1 47 47 SER HA H 1 4.381 0.3 . 1 . . . . 27 S HA . 25921 1 288 . 1 1 47 47 SER HB2 H 1 3.866 0.3 . 2 . . . . 27 S QB . 25921 1 289 . 1 1 47 47 SER HB3 H 1 3.866 0.3 . 2 . . . . 27 S QB . 25921 1 290 . 1 1 47 47 SER C C 13 174.680 0.4 . 1 . . . . 27 S C . 25921 1 291 . 1 1 47 47 SER CA C 13 63.969 0.4 . 1 . . . . 27 S CA . 25921 1 292 . 1 1 47 47 SER CB C 13 58.699 0.4 . 1 . . . . 27 S CB . 25921 1 293 . 1 1 47 47 SER N N 15 115.882 0.25 . 1 . . . . 27 S N . 25921 1 294 . 1 1 48 48 ARG H H 1 8.229 0.02 . 1 . . . . 28 R HN . 25921 1 295 . 1 1 48 48 ARG HA H 1 4.229 0.3 . 1 . . . . 28 R HA . 25921 1 296 . 1 1 48 48 ARG HB2 H 1 1.812 0.3 . 2 . . . . 28 R QB . 25921 1 297 . 1 1 48 48 ARG HB3 H 1 1.812 0.3 . 2 . . . . 28 R QB . 25921 1 298 . 1 1 48 48 ARG C C 13 176.285 0.4 . 1 . . . . 28 R C . 25921 1 299 . 1 1 48 48 ARG CA C 13 57.090 0.4 . 1 . . . . 28 R CA . 25921 1 300 . 1 1 48 48 ARG CB C 13 30.718 0.4 . 1 . . . . 28 R CB . 25921 1 301 . 1 1 48 48 ARG N N 15 122.520 0.25 . 1 . . . . 28 R N . 25921 1 302 . 1 1 49 49 ALA H H 1 8.209 0.02 . 1 . . . . 29 A HN . 25921 1 303 . 1 1 49 49 ALA HA H 1 4.257 0.3 . 1 . . . . 29 A HA . 25921 1 304 . 1 1 49 49 ALA HB1 H 1 1.365 0.3 . 1 . . . . 29 A QB . 25921 1 305 . 1 1 49 49 ALA HB2 H 1 1.365 0.3 . 1 . . . . 29 A QB . 25921 1 306 . 1 1 49 49 ALA HB3 H 1 1.365 0.3 . 1 . . . . 29 A QB . 25921 1 307 . 1 1 49 49 ALA C C 13 177.883 0.4 . 1 . . . . 29 A C . 25921 1 308 . 1 1 49 49 ALA CA C 13 52.784 0.4 . 1 . . . . 29 A CA . 25921 1 309 . 1 1 49 49 ALA CB C 13 18.796 0.4 . 1 . . . . 29 A CB . 25921 1 310 . 1 1 49 49 ALA N N 15 124.054 0.25 . 1 . . . . 29 A N . 25921 1 311 . 1 1 50 50 ALA H H 1 8.134 0.02 . 1 . . . . 30 A HN . 25921 1 312 . 1 1 50 50 ALA HA H 1 4.218 0.3 . 1 . . . . 30 A HA . 25921 1 313 . 1 1 50 50 ALA HB1 H 1 1.369 0.3 . 1 . . . . 30 A QB . 25921 1 314 . 1 1 50 50 ALA HB2 H 1 1.369 0.3 . 1 . . . . 30 A QB . 25921 1 315 . 1 1 50 50 ALA HB3 H 1 1.369 0.3 . 1 . . . . 30 A QB . 25921 1 316 . 1 1 50 50 ALA C C 13 177.786 0.4 . 1 . . . . 30 A C . 25921 1 317 . 1 1 50 50 ALA CA C 13 53.201 0.4 . 1 . . . . 30 A CA . 25921 1 318 . 1 1 50 50 ALA CB C 13 18.922 0.4 . 1 . . . . 30 A CB . 25921 1 319 . 1 1 50 50 ALA N N 15 122.475 0.25 . 1 . . . . 30 A N . 25921 1 320 . 1 1 51 51 ALA H H 1 8.106 0.02 . 1 . . . . 31 A HN . 25921 1 321 . 1 1 51 51 ALA HA H 1 4.250 0.3 . 1 . . . . 31 A HA . 25921 1 322 . 1 1 51 51 ALA HB1 H 1 1.386 0.3 . 1 . . . . 31 A QB . 25921 1 323 . 1 1 51 51 ALA HB2 H 1 1.386 0.3 . 1 . . . . 31 A QB . 25921 1 324 . 1 1 51 51 ALA HB3 H 1 1.386 0.3 . 1 . . . . 31 A QB . 25921 1 325 . 1 1 51 51 ALA C C 13 177.932 0.4 . 1 . . . . 31 A C . 25921 1 326 . 1 1 51 51 ALA CA C 13 52.870 0.4 . 1 . . . . 31 A CA . 25921 1 327 . 1 1 51 51 ALA CB C 13 19.178 0.4 . 1 . . . . 31 A CB . 25921 1 328 . 1 1 51 51 ALA N N 15 121.688 0.25 . 1 . . . . 31 A N . 25921 1 329 . 1 1 52 52 GLU H H 1 8.163 0.02 . 1 . . . . 32 E HN . 25921 1 330 . 1 1 52 52 GLU C C 13 176.515 0.4 . 1 . . . . 32 E C . 25921 1 331 . 1 1 52 52 GLU CA C 13 56.882 0.4 . 1 . . . . 32 E CA . 25921 1 332 . 1 1 52 52 GLU CB C 13 29.929 0.4 . 1 . . . . 32 E CB . 25921 1 333 . 1 1 52 52 GLU N N 15 118.967 0.25 . 1 . . . . 32 E N . 25921 1 334 . 1 1 53 53 ILE H H 1 8.008 0.02 . 1 . . . . 33 I HN . 25921 1 335 . 1 1 53 53 ILE HA H 1 4.115 0.3 . 1 . . . . 33 I HA . 25921 1 336 . 1 1 53 53 ILE HB H 1 1.861 0.3 . 1 . . . . 33 I HB . 25921 1 337 . 1 1 53 53 ILE C C 13 176.711 0.4 . 1 . . . . 33 I C . 25921 1 338 . 1 1 53 53 ILE CA C 13 61.536 0.4 . 1 . . . . 33 I CA . 25921 1 339 . 1 1 53 53 ILE CB C 13 38.409 0.4 . 1 . . . . 33 I CB . 25921 1 340 . 1 1 53 53 ILE N N 15 120.579 0.25 . 1 . . . . 33 I N . 25921 1 341 . 1 1 54 54 GLY H H 1 8.389 0.02 . 1 . . . . 34 G HN . 25921 1 342 . 1 1 54 54 GLY HA2 H 1 3.968 0.3 . 2 . . . . 34 G QA . 25921 1 343 . 1 1 54 54 GLY HA3 H 1 3.968 0.3 . 2 . . . . 34 G QA . 25921 1 344 . 1 1 54 54 GLY C C 13 174.328 0.4 . 1 . . . . 34 G C . 25921 1 345 . 1 1 54 54 GLY CA C 13 45.219 0.4 . 1 . . . . 34 G CA . 25921 1 346 . 1 1 54 54 GLY N N 15 112.097 0.25 . 1 . . . . 34 G N . 25921 1 347 . 1 1 55 55 VAL H H 1 7.925 0.02 . 1 . . . . 35 V HN . 25921 1 348 . 1 1 55 55 VAL HA H 1 4.043 0.3 . 1 . . . . 35 V HA . 25921 1 349 . 1 1 55 55 VAL HB H 1 2.071 0.3 . 1 . . . . 35 V HB . 25921 1 350 . 1 1 55 55 VAL C C 13 176.610 0.4 . 1 . . . . 35 V C . 25921 1 351 . 1 1 55 55 VAL CA C 13 62.885 0.4 . 1 . . . . 35 V CA . 25921 1 352 . 1 1 55 55 VAL CB C 13 32.711 0.4 . 1 . . . . 35 V CB . 25921 1 353 . 1 1 55 55 VAL N N 15 118.820 0.25 . 1 . . . . 35 V N . 25921 1 354 . 1 1 56 56 GLU H H 1 8.496 0.02 . 1 . . . . 36 E HN . 25921 1 355 . 1 1 56 56 GLU HB2 H 1 1.950 0.3 . 2 . . . . 36 E QB . 25921 1 356 . 1 1 56 56 GLU HB3 H 1 1.950 0.3 . 2 . . . . 36 E QB . 25921 1 357 . 1 1 56 56 GLU C C 13 176.408 0.4 . 1 . . . . 36 E C . 25921 1 358 . 1 1 56 56 GLU CA C 13 56.944 0.4 . 1 . . . . 36 E CA . 25921 1 359 . 1 1 56 56 GLU CB C 13 29.698 0.4 . 1 . . . . 36 E CB . 25921 1 360 . 1 1 56 56 GLU N N 15 123.463 0.25 . 1 . . . . 36 E N . 25921 1 361 . 1 1 57 57 ALA H H 1 8.198 0.02 . 1 . . . . 37 A HN . 25921 1 362 . 1 1 57 57 ALA HA H 1 4.250 0.3 . 1 . . . . 37 A HA . 25921 1 363 . 1 1 57 57 ALA HB1 H 1 1.386 0.3 . 1 . . . . 37 A QB . 25921 1 364 . 1 1 57 57 ALA HB2 H 1 1.386 0.3 . 1 . . . . 37 A QB . 25921 1 365 . 1 1 57 57 ALA HB3 H 1 1.386 0.3 . 1 . . . . 37 A QB . 25921 1 366 . 1 1 57 57 ALA C C 13 178.181 0.4 . 1 . . . . 37 A C . 25921 1 367 . 1 1 57 57 ALA CA C 13 53.000 0.4 . 1 . . . . 37 A CA . 25921 1 368 . 1 1 57 57 ALA CB C 13 19.311 0.4 . 1 . . . . 37 A CB . 25921 1 369 . 1 1 57 57 ALA N N 15 124.062 0.25 . 1 . . . . 37 A N . 25921 1 370 . 1 1 58 58 GLU H H 1 8.230 0.02 . 1 . . . . 38 E HN . 25921 1 371 . 1 1 58 58 GLU HA H 1 4.157 0.3 . 1 . . . . 38 E HA . 25921 1 372 . 1 1 58 58 GLU HB2 H 1 2.019 0.3 . 2 . . . . 38 E QB . 25921 1 373 . 1 1 58 58 GLU HB3 H 1 2.019 0.3 . 2 . . . . 38 E QB . 25921 1 374 . 1 1 58 58 GLU C C 13 176.812 0.4 . 1 . . . . 38 E C . 25921 1 375 . 1 1 58 58 GLU CA C 13 57.093 0.4 . 1 . . . . 38 E CA . 25921 1 376 . 1 1 58 58 GLU CB C 13 29.847 0.4 . 1 . . . . 38 E CB . 25921 1 377 . 1 1 58 58 GLU N N 15 119.229 0.25 . 1 . . . . 38 E N . 25921 1 378 . 1 1 59 59 LYS H H 1 8.106 0.02 . 1 . . . . 39 K HN . 25921 1 379 . 1 1 59 59 LYS HA H 1 4.113 0.3 . 1 . . . . 39 K HA . 25921 1 380 . 1 1 59 59 LYS HB2 H 1 1.718 0.3 . 2 . . . . 39 K QB . 25921 1 381 . 1 1 59 59 LYS HB3 H 1 1.718 0.3 . 2 . . . . 39 K QB . 25921 1 382 . 1 1 59 59 LYS C C 13 176.498 0.4 . 1 . . . . 39 K C . 25921 1 383 . 1 1 59 59 LYS CA C 13 56.875 0.4 . 1 . . . . 39 K CA . 25921 1 384 . 1 1 59 59 LYS CB C 13 32.560 0.4 . 1 . . . . 39 K CB . 25921 1 385 . 1 1 59 59 LYS N N 15 120.842 0.25 . 1 . . . . 39 K N . 25921 1 386 . 1 1 60 60 ASP H H 1 8.188 0.02 . 1 . . . . 40 D HN . 25921 1 387 . 1 1 60 60 ASP HA H 1 4.463 0.3 . 1 . . . . 40 D HA . 25921 1 388 . 1 1 60 60 ASP HB2 H 1 2.569 0.3 . 2 . . . . 40 D QB . 25921 1 389 . 1 1 60 60 ASP HB3 H 1 2.569 0.3 . 2 . . . . 40 D QB . 25921 1 390 . 1 1 60 60 ASP C C 13 176.281 0.4 . 1 . . . . 40 D C . 25921 1 391 . 1 1 60 60 ASP CA C 13 54.584 0.4 . 1 . . . . 40 D CA . 25921 1 392 . 1 1 60 60 ASP CB C 13 40.808 0.4 . 1 . . . . 40 D CB . 25921 1 393 . 1 1 60 60 ASP N N 15 119.816 0.25 . 1 . . . . 40 D N . 25921 1 394 . 1 1 61 61 PHE H H 1 7.959 0.02 . 1 . . . . 41 F HN . 25921 1 395 . 1 1 61 61 PHE HB2 H 1 2.896 0.3 . 2 . . . . 41 F QB . 25921 1 396 . 1 1 61 61 PHE HB3 H 1 2.896 0.3 . 2 . . . . 41 F QB . 25921 1 397 . 1 1 61 61 PHE CA C 13 58.382 0.4 . 1 . . . . 41 F CA . 25921 1 398 . 1 1 61 61 PHE CB C 13 39.463 0.4 . 1 . . . . 41 F CB . 25921 1 399 . 1 1 61 61 PHE N N 15 120.278 0.25 . 1 . . . . 41 F N . 25921 1 400 . 1 1 62 62 TRP H H 1 7.952 0.02 . 1 . . . . 42 W HN . 25921 1 401 . 1 1 62 62 TRP HA H 1 4.579 0.3 . 1 . . . . 42 W HA . 25921 1 402 . 1 1 62 62 TRP HB2 H 1 3.217 0.3 . 2 . . . . 42 W QB . 25921 1 403 . 1 1 62 62 TRP HB3 H 1 3.217 0.3 . 2 . . . . 42 W QB . 25921 1 404 . 1 1 62 62 TRP C C 13 176.542 0.4 . 1 . . . . 42 W C . 25921 1 405 . 1 1 62 62 TRP CA C 13 58.021 0.4 . 1 . . . . 42 W CA . 25921 1 406 . 1 1 62 62 TRP CB C 13 29.315 0.4 . 1 . . . . 42 W CB . 25921 1 407 . 1 1 62 62 TRP N N 15 120.213 0.25 . 1 . . . . 42 W N . 25921 1 408 . 1 1 63 63 THR H H 1 7.923 0.02 . 1 . . . . 43 T HN . 25921 1 409 . 1 1 63 63 THR HA H 1 4.203 0.3 . 1 . . . . 43 T HA . 25921 1 410 . 1 1 63 63 THR C C 13 174.774 0.4 . 1 . . . . 43 T C . 25921 1 411 . 1 1 63 63 THR CA C 13 62.733 0.4 . 1 . . . . 43 T CA . 25921 1 412 . 1 1 63 63 THR CB C 13 69.766 0.4 . 1 . . . . 43 T CB . 25921 1 413 . 1 1 63 63 THR N N 15 114.173 0.25 . 1 . . . . 43 T N . 25921 1 414 . 1 1 64 64 THR H H 1 7.996 0.02 . 1 . . . . 44 T HN . 25921 1 415 . 1 1 64 64 THR HA H 1 4.266 0.3 . 1 . . . . 44 T HA . 25921 1 416 . 1 1 64 64 THR C C 13 174.870 0.4 . 1 . . . . 44 T C . 25921 1 417 . 1 1 64 64 THR CA C 13 62.924 0.4 . 1 . . . . 44 T CA . 25921 1 418 . 1 1 64 64 THR CB C 13 70.248 0.4 . 1 . . . . 44 T CB . 25921 1 419 . 1 1 64 64 THR N N 15 115.638 0.25 . 1 . . . . 44 T N . 25921 1 420 . 1 1 65 65 VAL H H 1 8.011 0.02 . 1 . . . . 45 V HN . 25921 1 421 . 1 1 65 65 VAL HA H 1 3.995 0.3 . 1 . . . . 45 V HA . 25921 1 422 . 1 1 65 65 VAL HB H 1 1.978 0.3 . 1 . . . . 45 V HB . 25921 1 423 . 1 1 65 65 VAL C C 13 176.154 0.4 . 1 . . . . 45 V C . 25921 1 424 . 1 1 65 65 VAL CA C 13 62.683 0.4 . 1 . . . . 45 V CA . 25921 1 425 . 1 1 65 65 VAL CB C 13 32.423 0.4 . 1 . . . . 45 V CB . 25921 1 426 . 1 1 65 65 VAL N N 15 121.507 0.25 . 1 . . . . 45 V N . 25921 1 427 . 1 1 66 66 GLN H H 1 8.306 0.02 . 1 . . . . 46 Q HN . 25921 1 428 . 1 1 66 66 GLN HA H 1 4.218 0.3 . 1 . . . . 46 Q HA . 25921 1 429 . 1 1 66 66 GLN HB2 H 1 2.011 0.3 . 2 . . . . 46 Q QB . 25921 1 430 . 1 1 66 66 GLN HB3 H 1 2.011 0.3 . 2 . . . . 46 Q QB . 25921 1 431 . 1 1 66 66 GLN C C 13 176.388 0.4 . 1 . . . . 46 Q C . 25921 1 432 . 1 1 66 66 GLN CA C 13 56.465 0.4 . 1 . . . . 46 Q CA . 25921 1 433 . 1 1 66 66 GLN CB C 13 29.218 0.4 . 1 . . . . 46 Q CB . 25921 1 434 . 1 1 66 66 GLN N N 15 122.900 0.25 . 1 . . . . 46 Q N . 25921 1 435 . 1 1 67 67 GLY H H 1 8.279 0.02 . 1 . . . . 47 G HN . 25921 1 436 . 1 1 67 67 GLY HA2 H 1 3.914 0.3 . 2 . . . . 47 G QA . 25921 1 437 . 1 1 67 67 GLY HA3 H 1 3.914 0.3 . 2 . . . . 47 G QA . 25921 1 438 . 1 1 67 67 GLY C C 13 173.608 0.4 . 1 . . . . 47 G C . 25921 1 439 . 1 1 67 67 GLY CA C 13 45.215 0.4 . 1 . . . . 47 G CA . 25921 1 440 . 1 1 67 67 GLY N N 15 109.321 0.25 . 1 . . . . 47 G N . 25921 1 441 . 1 1 68 68 LYS H H 1 8.020 0.02 . 1 . . . . 48 K HN . 25921 1 442 . 1 1 68 68 LYS C C 13 174.508 0.4 . 1 . . . . 48 K C . 25921 1 443 . 1 1 68 68 LYS CA C 13 54.306 0.4 . 1 . . . . 48 K CA . 25921 1 444 . 1 1 68 68 LYS CB C 13 32.728 0.4 . 1 . . . . 48 K CB . 25921 1 445 . 1 1 68 68 LYS N N 15 121.422 0.25 . 1 . . . . 48 K N . 25921 1 446 . 1 1 69 69 PRO HA H 1 4.445 0.3 . 1 . . . . 49 P HA . 25921 1 447 . 1 1 69 69 PRO HB2 H 1 2.238 0.3 . 1 . . . . 49 P HB2 . 25921 1 448 . 1 1 69 69 PRO HB3 H 1 1.861 0.3 . 1 . . . . 49 P HB3 . 25921 1 449 . 1 1 69 69 PRO C C 13 177.009 0.4 . 1 . . . . 49 P C . 25921 1 450 . 1 1 69 69 PRO CA C 13 62.969 0.4 . 1 . . . . 49 P CA . 25921 1 451 . 1 1 69 69 PRO CB C 13 31.913 0.4 . 1 . . . . 49 P CB . 25921 1 452 . 1 1 70 70 GLN H H 1 8.565 0.02 . 1 . . . . 50 Q HN . 25921 1 453 . 1 1 70 70 GLN HA H 1 4.250 0.3 . 1 . . . . 50 Q HA . 25921 1 454 . 1 1 70 70 GLN HB2 H 1 2.044 0.3 . 2 . . . . 50 Q QB . 25921 1 455 . 1 1 70 70 GLN HB3 H 1 2.044 0.3 . 2 . . . . 50 Q QB . 25921 1 456 . 1 1 70 70 GLN C C 13 176.221 0.4 . 1 . . . . 50 Q C . 25921 1 457 . 1 1 70 70 GLN CA C 13 56.128 0.4 . 1 . . . . 50 Q CA . 25921 1 458 . 1 1 70 70 GLN CB C 13 29.472 0.4 . 1 . . . . 50 Q CB . 25921 1 459 . 1 1 70 70 GLN N N 15 120.741 0.25 . 1 . . . . 50 Q N . 25921 1 460 . 1 1 71 71 SER H H 1 8.331 0.02 . 1 . . . . 51 S HN . 25921 1 461 . 1 1 71 71 SER HA H 1 4.391 0.3 . 1 . . . . 51 S HA . 25921 1 462 . 1 1 71 71 SER HB2 H 1 3.828 0.3 . 2 . . . . 51 S QB . 25921 1 463 . 1 1 71 71 SER HB3 H 1 3.828 0.3 . 2 . . . . 51 S QB . 25921 1 464 . 1 1 71 71 SER C C 13 174.587 0.4 . 1 . . . . 51 S C . 25921 1 465 . 1 1 71 71 SER CA C 13 58.318 0.4 . 1 . . . . 51 S CA . 25921 1 466 . 1 1 71 71 SER CB C 13 63.880 0.4 . 1 . . . . 51 S CB . 25921 1 467 . 1 1 71 71 SER N N 15 116.353 0.25 . 1 . . . . 51 S N . 25921 1 468 . 1 1 72 72 SER H H 1 8.248 0.02 . 1 . . . . 52 S HN . 25921 1 469 . 1 1 72 72 SER HB2 H 1 3.790 0.3 . 2 . . . . 52 S QB . 25921 1 470 . 1 1 72 72 SER HB3 H 1 3.790 0.3 . 2 . . . . 52 S QB . 25921 1 471 . 1 1 72 72 SER C C 13 174.173 0.4 . 1 . . . . 52 S C . 25921 1 472 . 1 1 72 72 SER CA C 13 58.428 0.4 . 1 . . . . 52 S CA . 25921 1 473 . 1 1 72 72 SER CB C 13 63.994 0.4 . 1 . . . . 52 S CB . 25921 1 474 . 1 1 72 72 SER N N 15 117.296 0.25 . 1 . . . . 52 S N . 25921 1 475 . 1 1 73 73 PHE H H 1 8.128 0.02 . 1 . . . . 53 F HN . 25921 1 476 . 1 1 73 73 PHE HA H 1 4.556 0.3 . 1 . . . . 53 F HA . 25921 1 477 . 1 1 73 73 PHE HB2 H 1 3.024 0.3 . 2 . . . . 53 F QB . 25921 1 478 . 1 1 73 73 PHE HB3 H 1 3.024 0.3 . 2 . . . . 53 F QB . 25921 1 479 . 1 1 73 73 PHE C C 13 175.344 0.4 . 1 . . . . 53 F C . 25921 1 480 . 1 1 73 73 PHE CA C 13 58.123 0.4 . 1 . . . . 53 F CA . 25921 1 481 . 1 1 73 73 PHE CB C 13 38.835 0.4 . 1 . . . . 53 F CB . 25921 1 482 . 1 1 73 73 PHE N N 15 121.715 0.25 . 1 . . . . 53 F N . 25921 1 483 . 1 1 74 74 ARG H H 1 8.143 0.02 . 1 . . . . 54 R HN . 25921 1 484 . 1 1 74 74 ARG HA H 1 4.344 0.3 . 1 . . . . 54 R HA . 25921 1 485 . 1 1 74 74 ARG HB2 H 1 1.715 0.3 . 2 . . . . 54 R QB . 25921 1 486 . 1 1 74 74 ARG HB3 H 1 1.715 0.3 . 2 . . . . 54 R QB . 25921 1 487 . 1 1 74 74 ARG C C 13 176.082 0.4 . 1 . . . . 54 R C . 25921 1 488 . 1 1 74 74 ARG CA C 13 56.168 0.4 . 1 . . . . 54 R CA . 25921 1 489 . 1 1 74 74 ARG CB C 13 31.261 0.4 . 1 . . . . 54 R CB . 25921 1 490 . 1 1 74 74 ARG N N 15 122.316 0.25 . 1 . . . . 54 R N . 25921 1 491 . 1 1 75 75 THR H H 1 8.194 0.02 . 1 . . . . 55 T HN . 25921 1 492 . 1 1 75 75 THR HA H 1 4.203 0.3 . 1 . . . . 55 T HA . 25921 1 493 . 1 1 75 75 THR C C 13 174.674 0.4 . 1 . . . . 55 T C . 25921 1 494 . 1 1 75 75 THR CA C 13 62.042 0.4 . 1 . . . . 55 T CA . 25921 1 495 . 1 1 75 75 THR CB C 13 70.235 0.4 . 1 . . . . 55 T CB . 25921 1 496 . 1 1 75 75 THR N N 15 115.082 0.25 . 1 . . . . 55 T N . 25921 1 497 . 1 1 76 76 THR H H 1 8.046 0.02 . 1 . . . . 56 T HN . 25921 1 498 . 1 1 76 76 THR HA H 1 4.188 0.3 . 1 . . . . 56 T HA . 25921 1 499 . 1 1 76 76 THR C C 13 174.136 0.4 . 1 . . . . 56 T C . 25921 1 500 . 1 1 76 76 THR CA C 13 61.993 0.4 . 1 . . . . 56 T CA . 25921 1 501 . 1 1 76 76 THR CB C 13 69.901 0.4 . 1 . . . . 56 T CB . 25921 1 502 . 1 1 76 76 THR N N 15 115.513 0.25 . 1 . . . . 56 T N . 25921 1 503 . 1 1 77 77 TYR H H 1 8.135 0.02 . 1 . . . . 57 Y HN . 25921 1 504 . 1 1 77 77 TYR HA H 1 4.523 0.3 . 1 . . . . 57 Y HA . 25921 1 505 . 1 1 77 77 TYR HB2 H 1 2.936 0.3 . 2 . . . . 57 Y QB . 25921 1 506 . 1 1 77 77 TYR HB3 H 1 2.936 0.3 . 2 . . . . 57 Y QB . 25921 1 507 . 1 1 77 77 TYR C C 13 175.269 0.4 . 1 . . . . 57 Y C . 25921 1 508 . 1 1 77 77 TYR CA C 13 57.712 0.4 . 1 . . . . 57 Y CA . 25921 1 509 . 1 1 77 77 TYR CB C 13 38.673 0.4 . 1 . . . . 57 Y CB . 25921 1 510 . 1 1 77 77 TYR N N 15 121.727 0.25 . 1 . . . . 57 Y N . 25921 1 511 . 1 1 78 78 ASP H H 1 8.211 0.02 . 1 . . . . 58 D HN . 25921 1 512 . 1 1 78 78 ASP HA H 1 4.529 0.3 . 1 . . . . 58 D HA . 25921 1 513 . 1 1 78 78 ASP HB2 H 1 2.642 0.3 . 2 . . . . 58 D QB . 25921 1 514 . 1 1 78 78 ASP HB3 H 1 2.642 0.3 . 2 . . . . 58 D QB . 25921 1 515 . 1 1 78 78 ASP C C 13 176.131 0.4 . 1 . . . . 58 D C . 25921 1 516 . 1 1 78 78 ASP CA C 13 54.207 0.4 . 1 . . . . 58 D CA . 25921 1 517 . 1 1 78 78 ASP CB C 13 41.025 0.4 . 1 . . . . 58 D CB . 25921 1 518 . 1 1 78 78 ASP N N 15 121.938 0.25 . 1 . . . . 58 D N . 25921 1 519 . 1 1 79 79 ARG H H 1 8.241 0.02 . 1 . . . . 59 R HN . 25921 1 520 . 1 1 79 79 ARG HA H 1 4.250 0.3 . 1 . . . . 59 R HA . 25921 1 521 . 1 1 79 79 ARG HB2 H 1 1.809 0.3 . 2 . . . . 59 R QB . 25921 1 522 . 1 1 79 79 ARG HB3 H 1 1.809 0.3 . 2 . . . . 59 R QB . 25921 1 523 . 1 1 79 79 ARG C C 13 176.695 0.4 . 1 . . . . 59 R C . 25921 1 524 . 1 1 79 79 ARG CA C 13 56.769 0.4 . 1 . . . . 59 R CA . 25921 1 525 . 1 1 79 79 ARG CB C 13 30.403 0.4 . 1 . . . . 59 R CB . 25921 1 526 . 1 1 79 79 ARG N N 15 121.622 0.25 . 1 . . . . 59 R N . 25921 1 527 . 1 1 80 80 SER H H 1 8.372 0.02 . 1 . . . . 60 S HN . 25921 1 528 . 1 1 80 80 SER HA H 1 4.335 0.3 . 1 . . . . 60 S HA . 25921 1 529 . 1 1 80 80 SER HB2 H 1 3.863 0.3 . 2 . . . . 60 S QB . 25921 1 530 . 1 1 80 80 SER HB3 H 1 3.863 0.3 . 2 . . . . 60 S QB . 25921 1 531 . 1 1 80 80 SER C C 13 174.537 0.4 . 1 . . . . 60 S C . 25921 1 532 . 1 1 80 80 SER CA C 13 59.398 0.4 . 1 . . . . 60 S CA . 25921 1 533 . 1 1 80 80 SER CB C 13 64.081 0.4 . 1 . . . . 60 S CB . 25921 1 534 . 1 1 80 80 SER N N 15 116.233 0.25 . 1 . . . . 60 S N . 25921 1 535 . 1 1 81 81 ASN H H 1 8.286 0.02 . 1 . . . . 61 N HN . 25921 1 536 . 1 1 81 81 ASN HA H 1 4.671 0.3 . 1 . . . . 61 N HA . 25921 1 537 . 1 1 81 81 ASN HB2 H 1 2.745 0.3 . 2 . . . . 61 N QB . 25921 1 538 . 1 1 81 81 ASN HB3 H 1 2.745 0.3 . 2 . . . . 61 N QB . 25921 1 539 . 1 1 81 81 ASN C C 13 174.976 0.4 . 1 . . . . 61 N C . 25921 1 540 . 1 1 81 81 ASN CA C 13 53.302 0.4 . 1 . . . . 61 N CA . 25921 1 541 . 1 1 81 81 ASN CB C 13 38.944 0.4 . 1 . . . . 61 N CB . 25921 1 542 . 1 1 81 81 ASN N N 15 120.167 0.25 . 1 . . . . 61 N N . 25921 1 543 . 1 1 82 82 ALA H H 1 8.150 0.02 . 1 . . . . 62 A HN . 25921 1 544 . 1 1 82 82 ALA HA H 1 4.297 0.3 . 1 . . . . 62 A HA . 25921 1 545 . 1 1 82 82 ALA HB1 H 1 1.386 0.3 . 1 . . . . 62 A QB . 25921 1 546 . 1 1 82 82 ALA HB2 H 1 1.386 0.3 . 1 . . . . 62 A QB . 25921 1 547 . 1 1 82 82 ALA HB3 H 1 1.386 0.3 . 1 . . . . 62 A QB . 25921 1 548 . 1 1 82 82 ALA C C 13 177.790 0.4 . 1 . . . . 62 A C . 25921 1 549 . 1 1 82 82 ALA CA C 13 52.928 0.4 . 1 . . . . 62 A CA . 25921 1 550 . 1 1 82 82 ALA CB C 13 19.230 0.4 . 1 . . . . 62 A CB . 25921 1 551 . 1 1 82 82 ALA N N 15 123.900 0.25 . 1 . . . . 62 A N . 25921 1 552 . 1 1 83 83 SER H H 1 8.209 0.02 . 1 . . . . 63 S HN . 25921 1 553 . 1 1 83 83 SER HA H 1 4.420 0.3 . 1 . . . . 63 S HA . 25921 1 554 . 1 1 83 83 SER HB2 H 1 3.860 0.3 . 2 . . . . 63 S QB . 25921 1 555 . 1 1 83 83 SER HB3 H 1 3.860 0.3 . 2 . . . . 63 S QB . 25921 1 556 . 1 1 83 83 SER C C 13 174.533 0.4 . 1 . . . . 63 S C . 25921 1 557 . 1 1 83 83 SER CA C 13 58.516 0.4 . 1 . . . . 63 S CA . 25921 1 558 . 1 1 83 83 SER CB C 13 63.795 0.4 . 1 . . . . 63 S CB . 25921 1 559 . 1 1 83 83 SER N N 15 114.442 0.25 . 1 . . . . 63 S N . 25921 1 560 . 1 1 84 84 LEU H H 1 8.189 0.02 . 1 . . . . 64 L HN . 25921 1 561 . 1 1 84 84 LEU HA H 1 4.402 0.3 . 1 . . . . 64 L HA . 25921 1 562 . 1 1 84 84 LEU HB2 H 1 1.632 0.3 . 2 . . . . 64 L QB . 25921 1 563 . 1 1 84 84 LEU HB3 H 1 1.632 0.3 . 2 . . . . 64 L QB . 25921 1 564 . 1 1 84 84 LEU C C 13 176.568 0.4 . 1 . . . . 64 L C . 25921 1 565 . 1 1 84 84 LEU CA C 13 55.579 0.4 . 1 . . . . 64 L CA . 25921 1 566 . 1 1 84 84 LEU CB C 13 42.381 0.4 . 1 . . . . 64 L CB . 25921 1 567 . 1 1 84 84 LEU N N 15 124.059 0.25 . 1 . . . . 64 L N . 25921 1 568 . 1 1 85 85 SER H H 1 7.852 0.02 . 1 . . . . 65 S HN . 25921 1 569 . 1 1 85 85 SER C C 13 178.534 0.4 . 1 . . . . 65 S C . 25921 1 570 . 1 1 85 85 SER CA C 13 65.062 0.4 . 1 . . . . 65 S CA . 25921 1 571 . 1 1 85 85 SER CB C 13 60.080 0.4 . 1 . . . . 65 S CB . 25921 1 572 . 1 1 85 85 SER N N 15 121.223 0.25 . 1 . . . . 65 S N . 25921 1 stop_ save_