data_25196 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25196 _Entry.Title ; haloSRC assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-02 _Entry.Accession_date 2014-09-02 _Entry.Last_release_date 2016-09-28 _Entry.Original_release_date 2016-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR assignment of halophilic disordered peptide haloSrc' _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 Gabriel Ortega . . . . 25196 2 Oscar Millet . . . . 25196 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25196 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 25196 '15N chemical shifts' 81 25196 '1H chemical shifts' 81 25196 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 . . 2016-09-23 2014-09-02 update BMRB 'update entry citation' 25196 1 . . 2014-10-02 2014-09-02 original author 'original release' 25196 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25196 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26628359 _Citation.Full_citation . _Citation.Title ; Halophilic Protein Adaptation Results from Synergistic Residue-Ion Interactions in the Folded and Unfolded States ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 12 _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 1597 _Citation.Page_last 1607 _Citation.Year 2015 _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 Gabriel Ortega . . . . 25196 1 2 Tammo Diercks . . . . 25196 1 3 Oscar Millet . . . . 25196 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Halophilia 25196 1 KCl 25196 1 Protein 25196 1 Stability 25196 1 acidic 25196 1 aminoacid 25196 1 archaea 25196 1 disordered 25196 1 electrostatic 25196 1 halophilic 25196 1 protein 25196 1 salt 25196 1 unfolded 25196 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25196 _Assembly.ID 1 _Assembly.Name haloSRC _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 haloSRC 1 $haloSRC A . yes 'intrinsically disordered' yes yes . . . 25196 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'designed halophilic sequence derived from unique domain of human SRC kinase' 25196 1 'lipid binding activity' 25196 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_haloSRC _Entity.Sf_category entity _Entity.Sf_framecode haloSRC _Entity.Entry_ID 25196 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name haloSRC _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 ; MASNDSKPSDASQRRRSLET AENVHGAGGGATPASQTPSE PASADGHDGPSAAFAPAAAE PDLFGGFNSSDTVTSPQRAG PEAGGSAWSHPQFEK ; _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 95 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'designed halophilic sequence from unique domine of SRC Kinase' 25196 1 stop_ 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 MET . 25196 1 2 2 ALA . 25196 1 3 3 SER . 25196 1 4 4 ASN . 25196 1 5 5 ASP . 25196 1 6 6 SER . 25196 1 7 7 LYS . 25196 1 8 8 PRO . 25196 1 9 9 SER . 25196 1 10 10 ASP . 25196 1 11 11 ALA . 25196 1 12 12 SER . 25196 1 13 13 GLN . 25196 1 14 14 ARG . 25196 1 15 15 ARG . 25196 1 16 16 ARG . 25196 1 17 17 SER . 25196 1 18 18 LEU . 25196 1 19 19 GLU . 25196 1 20 20 THR . 25196 1 21 21 ALA . 25196 1 22 22 GLU . 25196 1 23 23 ASN . 25196 1 24 24 VAL . 25196 1 25 25 HIS . 25196 1 26 26 GLY . 25196 1 27 27 ALA . 25196 1 28 28 GLY . 25196 1 29 29 GLY . 25196 1 30 30 GLY . 25196 1 31 31 ALA . 25196 1 32 32 THR . 25196 1 33 33 PRO . 25196 1 34 34 ALA . 25196 1 35 35 SER . 25196 1 36 36 GLN . 25196 1 37 37 THR . 25196 1 38 38 PRO . 25196 1 39 39 SER . 25196 1 40 40 GLU . 25196 1 41 41 PRO . 25196 1 42 42 ALA . 25196 1 43 43 SER . 25196 1 44 44 ALA . 25196 1 45 45 ASP . 25196 1 46 46 GLY . 25196 1 47 47 HIS . 25196 1 48 48 ASP . 25196 1 49 49 GLY . 25196 1 50 50 PRO . 25196 1 51 51 SER . 25196 1 52 52 ALA . 25196 1 53 53 ALA . 25196 1 54 54 PHE . 25196 1 55 55 ALA . 25196 1 56 56 PRO . 25196 1 57 57 ALA . 25196 1 58 58 ALA . 25196 1 59 59 ALA . 25196 1 60 60 GLU . 25196 1 61 61 PRO . 25196 1 62 62 ASP . 25196 1 63 63 LEU . 25196 1 64 64 PHE . 25196 1 65 65 GLY . 25196 1 66 66 GLY . 25196 1 67 67 PHE . 25196 1 68 68 ASN . 25196 1 69 69 SER . 25196 1 70 70 SER . 25196 1 71 71 ASP . 25196 1 72 72 THR . 25196 1 73 73 VAL . 25196 1 74 74 THR . 25196 1 75 75 SER . 25196 1 76 76 PRO . 25196 1 77 77 GLN . 25196 1 78 78 ARG . 25196 1 79 79 ALA . 25196 1 80 80 GLY . 25196 1 81 81 PRO . 25196 1 82 82 GLU . 25196 1 83 83 ALA . 25196 1 84 84 GLY . 25196 1 85 85 GLY . 25196 1 86 86 SER . 25196 1 87 87 ALA . 25196 1 88 88 TRP . 25196 1 89 89 SER . 25196 1 90 90 HIS . 25196 1 91 91 PRO . 25196 1 92 92 GLN . 25196 1 93 93 PHE . 25196 1 94 94 GLU . 25196 1 95 95 LYS . 25196 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 25196 1 . ALA 2 2 25196 1 . SER 3 3 25196 1 . ASN 4 4 25196 1 . ASP 5 5 25196 1 . SER 6 6 25196 1 . LYS 7 7 25196 1 . PRO 8 8 25196 1 . SER 9 9 25196 1 . ASP 10 10 25196 1 . ALA 11 11 25196 1 . SER 12 12 25196 1 . GLN 13 13 25196 1 . ARG 14 14 25196 1 . ARG 15 15 25196 1 . ARG 16 16 25196 1 . SER 17 17 25196 1 . LEU 18 18 25196 1 . GLU 19 19 25196 1 . THR 20 20 25196 1 . ALA 21 21 25196 1 . GLU 22 22 25196 1 . ASN 23 23 25196 1 . VAL 24 24 25196 1 . HIS 25 25 25196 1 . GLY 26 26 25196 1 . ALA 27 27 25196 1 . GLY 28 28 25196 1 . GLY 29 29 25196 1 . GLY 30 30 25196 1 . ALA 31 31 25196 1 . THR 32 32 25196 1 . PRO 33 33 25196 1 . ALA 34 34 25196 1 . SER 35 35 25196 1 . GLN 36 36 25196 1 . THR 37 37 25196 1 . PRO 38 38 25196 1 . SER 39 39 25196 1 . GLU 40 40 25196 1 . PRO 41 41 25196 1 . ALA 42 42 25196 1 . SER 43 43 25196 1 . ALA 44 44 25196 1 . ASP 45 45 25196 1 . GLY 46 46 25196 1 . HIS 47 47 25196 1 . ASP 48 48 25196 1 . GLY 49 49 25196 1 . PRO 50 50 25196 1 . SER 51 51 25196 1 . ALA 52 52 25196 1 . ALA 53 53 25196 1 . PHE 54 54 25196 1 . ALA 55 55 25196 1 . PRO 56 56 25196 1 . ALA 57 57 25196 1 . ALA 58 58 25196 1 . ALA 59 59 25196 1 . GLU 60 60 25196 1 . PRO 61 61 25196 1 . ASP 62 62 25196 1 . LEU 63 63 25196 1 . PHE 64 64 25196 1 . GLY 65 65 25196 1 . GLY 66 66 25196 1 . PHE 67 67 25196 1 . ASN 68 68 25196 1 . SER 69 69 25196 1 . SER 70 70 25196 1 . ASP 71 71 25196 1 . THR 72 72 25196 1 . VAL 73 73 25196 1 . THR 74 74 25196 1 . SER 75 75 25196 1 . PRO 76 76 25196 1 . GLN 77 77 25196 1 . ARG 78 78 25196 1 . ALA 79 79 25196 1 . GLY 80 80 25196 1 . PRO 81 81 25196 1 . GLU 82 82 25196 1 . ALA 83 83 25196 1 . GLY 84 84 25196 1 . GLY 85 85 25196 1 . SER 86 86 25196 1 . ALA 87 87 25196 1 . TRP 88 88 25196 1 . SER 89 89 25196 1 . HIS 90 90 25196 1 . PRO 91 91 25196 1 . GLN 92 92 25196 1 . PHE 93 93 25196 1 . GLU 94 94 25196 1 . LYS 95 95 25196 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 25196 _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 $haloSRC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25196 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 25196 _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 $haloSRC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET16b . . 'NcoI - BamHI' 25196 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25196 _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 haloSRC '[U-99% 13C; U-99% 15N]' . . 1 $haloSRC . . 1 . . mM 0.2 . . . 25196 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 25196 1 3 PMSF 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 25196 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 25196 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25196 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25196 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 25196 _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 0.1 mM 25196 1 pH 7.5 0.1 pH 25196 1 pressure 1 . atm 25196 1 temperature 280 0.05 K 25196 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25196 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25196 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25196 1 processing 25196 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25196 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25196 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25196 2 'peak picking' 25196 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25196 _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' . . 25196 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25196 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25196 _Software.ID 4 _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' . . 25196 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25196 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25196 _Software.ID 5 _Software.Name NMRDraw _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' . . 25196 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25196 5 'peak picking' 25196 5 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 25196 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25196 _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 Cryoprobe . . 25196 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 25196 _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 . . . . . . . . . . . . . . . . 25196 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25196 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 25196 _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 0.00 na indirect 0.251449530 . . . . . 25196 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25196 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25196 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 25196 _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' . . . 25196 1 2 '3D HNCO' . . . 25196 1 3 '3D HNCA' . . . 25196 1 4 '3D HNCACB' . . . 25196 1 5 '3D HN(CO)CA' . . . 25196 1 6 '3D HN(COCA)CB' . . . 25196 1 7 '2D 1H-13C HSQC' . . . 25196 1 8 '3D HN(CA)CO' . . . 25196 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25196 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 C C 13 173.67 . . . . . . . 3 SER CO . 25196 1 2 . 1 1 3 3 SER CA C 13 57.67 . . . . . . . 3 SER CA . 25196 1 3 . 1 1 3 3 SER CB C 13 62.67 . . . . . . . 3 SER CB . 25196 1 4 . 1 1 4 4 ASN H H 1 8.456 . . . . . . . 4 ASN H . 25196 1 5 . 1 1 4 4 ASN CA C 13 52.67 . . . . . . . 4 ASN CA . 25196 1 6 . 1 1 4 4 ASN CB C 13 37.67 . . . . . . . 4 ASN CB . 25196 1 7 . 1 1 4 4 ASN N N 15 120.3 . . . . . . . 4 ASN N . 25196 1 8 . 1 1 5 5 ASP H H 1 8.012 . . . . . . . 5 ASP H . 25196 1 9 . 1 1 5 5 ASP C C 13 175.67 . . . . . . . 5 ASP CO . 25196 1 10 . 1 1 5 5 ASP CA C 13 53.67 . . . . . . . 5 ASP CA . 25196 1 11 . 1 1 5 5 ASP CB C 13 40.67 . . . . . . . 5 ASP CB . 25196 1 12 . 1 1 5 5 ASP N N 15 120.3 . . . . . . . 5 ASP N . 25196 1 13 . 1 1 6 6 SER H H 1 8.030 . . . . . . . 6 SER H . 25196 1 14 . 1 1 6 6 SER CA C 13 57.67 . . . . . . . 6 SER CA . 25196 1 15 . 1 1 6 6 SER CB C 13 62.67 . . . . . . . 6 SER CB . 25196 1 16 . 1 1 6 6 SER N N 15 115.9 . . . . . . . 6 SER N . 25196 1 17 . 1 1 7 7 LYS H H 1 8.147 . . . . . . . 7 LYS H . 25196 1 18 . 1 1 7 7 LYS CA C 13 53.67 . . . . . . . 7 LYS CA . 25196 1 19 . 1 1 7 7 LYS CB C 13 31.67 . . . . . . . 7 LYS CB . 25196 1 20 . 1 1 7 7 LYS N N 15 124.1 . . . . . . . 7 LYS N . 25196 1 21 . 1 1 8 8 PRO CA C 13 62.67 . . . . . . . 8 PRO CA . 25196 1 22 . 1 1 8 8 PRO CB C 13 31.67 . . . . . . . 8 PRO CB . 25196 1 23 . 1 1 9 9 SER H H 1 8.317 . . . . . . . 9 SER H . 25196 1 24 . 1 1 9 9 SER C C 13 173.67 . . . . . . . 9 SER CO . 25196 1 25 . 1 1 9 9 SER CA C 13 57.67 . . . . . . . 9 SER CA . 25196 1 26 . 1 1 9 9 SER CB C 13 62.67 . . . . . . . 9 SER CB . 25196 1 27 . 1 1 9 9 SER N N 15 116.0 . . . . . . . 9 SER N . 25196 1 28 . 1 1 10 10 ASP H H 1 8.180 . . . . . . . 10 ASP H . 25196 1 29 . 1 1 10 10 ASP C C 13 176.67 . . . . . . . 10 ASP CO . 25196 1 30 . 1 1 10 10 ASP CA C 13 53.67 . . . . . . . 10 ASP CA . 25196 1 31 . 1 1 10 10 ASP CB C 13 40.67 . . . . . . . 10 ASP CB . 25196 1 32 . 1 1 10 10 ASP N N 15 122.6 . . . . . . . 10 ASP N . 25196 1 33 . 1 1 11 11 ALA H H 1 8.213 . . . . . . . 11 ALA H . 25196 1 34 . 1 1 11 11 ALA C C 13 178.67 . . . . . . . 11 ALA CO . 25196 1 35 . 1 1 11 11 ALA CA C 13 52.67 . . . . . . . 11 ALA CA . 25196 1 36 . 1 1 11 11 ALA CB C 13 17.67 . . . . . . . 11 ALA CB . 25196 1 37 . 1 1 11 11 ALA N N 15 124.3 . . . . . . . 11 ALA N . 25196 1 38 . 1 1 12 12 SER H H 1 8.125 . . . . . . . 12 SER H . 25196 1 39 . 1 1 12 12 SER C C 13 174.67 . . . . . . . 12 SER CO . 25196 1 40 . 1 1 12 12 SER CA C 13 58.67 . . . . . . . 12 SER CA . 25196 1 41 . 1 1 12 12 SER CB C 13 62.67 . . . . . . . 12 SER CB . 25196 1 42 . 1 1 12 12 SER N N 15 114.5 . . . . . . . 12 SER N . 25196 1 43 . 1 1 13 13 GLN H H 1 7.921 . . . . . . . 13 GLN H . 25196 1 44 . 1 1 13 13 GLN CA C 13 55.67 . . . . . . . 13 GLN CA . 25196 1 45 . 1 1 13 13 GLN CB C 13 28.67 . . . . . . . 13 GLN CB . 25196 1 46 . 1 1 13 13 GLN N N 15 121.4 . . . . . . . 13 GLN N . 25196 1 47 . 1 1 14 14 ARG H H 1 7.929 . . . . . . . 14 ARG H . 25196 1 48 . 1 1 14 14 ARG CA C 13 55.67 . . . . . . . 14 ARG CA . 25196 1 49 . 1 1 14 14 ARG CB C 13 29.67 . . . . . . . 14 ARG CB . 25196 1 50 . 1 1 14 14 ARG N N 15 121.2 . . . . . . . 14 ARG N . 25196 1 51 . 1 1 15 15 ARG H H 1 8.087 . . . . . . . 15 ARG H . 25196 1 52 . 1 1 15 15 ARG C C 13 175.67 . . . . . . . 15 ARG CO . 25196 1 53 . 1 1 15 15 ARG CA C 13 55.67 . . . . . . . 15 ARG CA . 25196 1 54 . 1 1 15 15 ARG CB C 13 29.67 . . . . . . . 15 ARG CB . 25196 1 55 . 1 1 15 15 ARG N N 15 121.8 . . . . . . . 15 ARG N . 25196 1 56 . 1 1 16 16 ARG H H 1 8.175 . . . . . . . 16 ARG H . 25196 1 57 . 1 1 16 16 ARG C C 13 176.67 . . . . . . . 16 ARG CO . 25196 1 58 . 1 1 16 16 ARG CA C 13 55.67 . . . . . . . 16 ARG CA . 25196 1 59 . 1 1 16 16 ARG CB C 13 29.67 . . . . . . . 16 ARG CB . 25196 1 60 . 1 1 16 16 ARG N N 15 122.0 . . . . . . . 16 ARG N . 25196 1 61 . 1 1 17 17 SER H H 1 8.177 . . . . . . . 17 SER H . 25196 1 62 . 1 1 17 17 SER CA C 13 57.67 . . . . . . . 17 SER CA . 25196 1 63 . 1 1 17 17 SER CB C 13 62.67 . . . . . . . 17 SER CB . 25196 1 64 . 1 1 17 17 SER N N 15 116.8 . . . . . . . 17 SER N . 25196 1 65 . 1 1 18 18 LEU H H 1 8.045 . . . . . . . 18 LEU H . 25196 1 66 . 1 1 18 18 LEU CA C 13 54.67 . . . . . . . 18 LEU CA . 25196 1 67 . 1 1 18 18 LEU CB C 13 41.67 . . . . . . . 18 LEU CB . 25196 1 68 . 1 1 18 18 LEU N N 15 123.4 . . . . . . . 18 LEU N . 25196 1 69 . 1 1 19 19 GLU H H 1 8.117 . . . . . . . 19 GLU H . 25196 1 70 . 1 1 19 19 GLU CA C 13 55.67 . . . . . . . 19 GLU CA . 25196 1 71 . 1 1 19 19 GLU CB C 13 29.67 . . . . . . . 19 GLU CB . 25196 1 72 . 1 1 19 19 GLU N N 15 120.9 . . . . . . . 19 GLU N . 25196 1 73 . 1 1 20 20 THR H H 1 7.917 . . . . . . . 20 THR H . 25196 1 74 . 1 1 20 20 THR C C 13 173.67 . . . . . . . 20 THR CO . 25196 1 75 . 1 1 20 20 THR CA C 13 60.67 . . . . . . . 20 THR CA . 25196 1 76 . 1 1 20 20 THR CB C 13 68.67 . . . . . . . 20 THR CB . 25196 1 77 . 1 1 20 20 THR N N 15 114.6 . . . . . . . 20 THR N . 25196 1 78 . 1 1 21 21 ALA H H 1 8.106 . . . . . . . 21 ALA H . 25196 1 79 . 1 1 21 21 ALA C C 13 176.67 . . . . . . . 21 ALA CO . 25196 1 80 . 1 1 21 21 ALA CA C 13 51.67 . . . . . . . 21 ALA CA . 25196 1 81 . 1 1 21 21 ALA CB C 13 18.67 . . . . . . . 21 ALA CB . 25196 1 82 . 1 1 21 21 ALA N N 15 126.0 . . . . . . . 21 ALA N . 25196 1 83 . 1 1 22 22 GLU H H 1 8.169 . . . . . . . 22 GLU H . 25196 1 84 . 1 1 22 22 GLU CA C 13 55.67 . . . . . . . 22 GLU CA . 25196 1 85 . 1 1 22 22 GLU CB C 13 29.67 . . . . . . . 22 GLU CB . 25196 1 86 . 1 1 22 22 GLU N N 15 119.5 . . . . . . . 22 GLU N . 25196 1 87 . 1 1 23 23 ASN H H 1 8.202 . . . . . . . 23 ASN H . 25196 1 88 . 1 1 23 23 ASN CA C 13 52.67 . . . . . . . 23 ASN CA . 25196 1 89 . 1 1 23 23 ASN CB C 13 37.67 . . . . . . . 23 ASN CB . 25196 1 90 . 1 1 23 23 ASN N N 15 119.5 . . . . . . . 23 ASN N . 25196 1 91 . 1 1 24 24 VAL H H 1 7.854 . . . . . . . 24 VAL H . 25196 1 92 . 1 1 24 24 VAL CA C 13 61.67 . . . . . . . 24 VAL CA . 25196 1 93 . 1 1 24 24 VAL CB C 13 31.67 . . . . . . . 24 VAL CB . 25196 1 94 . 1 1 24 24 VAL N N 15 120.2 . . . . . . . 24 VAL N . 25196 1 95 . 1 1 25 25 HIS H H 1 8.247 . . . . . . . 25 HIS H . 25196 1 96 . 1 1 25 25 HIS CA C 13 55.67 . . . . . . . 25 HIS CA . 25196 1 97 . 1 1 25 25 HIS CB C 13 29.67 . . . . . . . 25 HIS CB . 25196 1 98 . 1 1 25 25 HIS N N 15 122.1 . . . . . . . 25 HIS N . 25196 1 99 . 1 1 26 26 GLY H H 1 8.146 . . . . . . . 26 GLY H . 25196 1 100 . 1 1 26 26 GLY CA C 13 44.67 . . . . . . . 26 GLY CA . 25196 1 101 . 1 1 26 26 GLY N N 15 110.2 . . . . . . . 26 GLY N . 25196 1 102 . 1 1 27 27 ALA H H 1 8.123 . . . . . . . 27 ALA H . 25196 1 103 . 1 1 27 27 ALA C C 13 177.67 . . . . . . . 27 ALA CO . 25196 1 104 . 1 1 27 27 ALA CA C 13 51.67 . . . . . . . 27 ALA CA . 25196 1 105 . 1 1 27 27 ALA CB C 13 18.67 . . . . . . . 27 ALA CB . 25196 1 106 . 1 1 27 27 ALA N N 15 123.7 . . . . . . . 27 ALA N . 25196 1 107 . 1 1 28 28 GLY H H 1 8.330 . . . . . . . 28 GLY H . 25196 1 108 . 1 1 28 28 GLY CA C 13 44.67 . . . . . . . 28 GLY CA . 25196 1 109 . 1 1 28 28 GLY N N 15 108.3 . . . . . . . 28 GLY N . 25196 1 110 . 1 1 29 29 GLY CA C 13 44.67 . . . . . . . 29 GLY CA . 25196 1 111 . 1 1 30 30 GLY H H 1 8.124 . . . . . . . 30 GLY H . 25196 1 112 . 1 1 30 30 GLY C C 13 172.67 . . . . . . . 30 GLY CO . 25196 1 113 . 1 1 30 30 GLY CA C 13 44.67 . . . . . . . 30 GLY CA . 25196 1 114 . 1 1 30 30 GLY N N 15 108.6 . . . . . . . 30 GLY N . 25196 1 115 . 1 1 31 31 ALA H H 1 8.022 . . . . . . . 31 ALA H . 25196 1 116 . 1 1 31 31 ALA C C 13 176.67 . . . . . . . 31 ALA CO . 25196 1 117 . 1 1 31 31 ALA CA C 13 51.67 . . . . . . . 31 ALA CA . 25196 1 118 . 1 1 31 31 ALA CB C 13 18.67 . . . . . . . 31 ALA CB . 25196 1 119 . 1 1 31 31 ALA N N 15 123.4 . . . . . . . 31 ALA N . 25196 1 120 . 1 1 32 32 THR H H 1 8.115 . . . . . . . 32 THR H . 25196 1 121 . 1 1 32 32 THR CA C 13 58.67 . . . . . . . 32 THR CA . 25196 1 122 . 1 1 32 32 THR CB C 13 68.67 . . . . . . . 32 THR CB . 25196 1 123 . 1 1 32 32 THR N N 15 116.7 . . . . . . . 32 THR N . 25196 1 124 . 1 1 33 33 PRO C C 13 175.67 . . . . . . . 33 PRO CO . 25196 1 125 . 1 1 33 33 PRO CA C 13 62.67 . . . . . . . 33 PRO CA . 25196 1 126 . 1 1 33 33 PRO CB C 13 31.67 . . . . . . . 33 PRO CB . 25196 1 127 . 1 1 34 34 ALA H H 1 8.298 . . . . . . . 34 ALA H . 25196 1 128 . 1 1 34 34 ALA C C 13 177.67 . . . . . . . 34 ALA CO . 25196 1 129 . 1 1 34 34 ALA CA C 13 51.67 . . . . . . . 34 ALA CA . 25196 1 130 . 1 1 34 34 ALA CB C 13 18.67 . . . . . . . 34 ALA CB . 25196 1 131 . 1 1 34 34 ALA N N 15 124.4 . . . . . . . 34 ALA N . 25196 1 132 . 1 1 35 35 SER H H 1 8.114 . . . . . . . 35 SER H . 25196 1 133 . 1 1 35 35 SER C C 13 173.67 . . . . . . . 35 SER CO . 25196 1 134 . 1 1 35 35 SER CA C 13 57.67 . . . . . . . 35 SER CA . 25196 1 135 . 1 1 35 35 SER CB C 13 62.67 . . . . . . . 35 SER CB . 25196 1 136 . 1 1 35 35 SER N N 15 114.7 . . . . . . . 35 SER N . 25196 1 137 . 1 1 36 36 GLN H H 1 8.211 . . . . . . . 36 GLN H . 25196 1 138 . 1 1 36 36 GLN C C 13 174.67 . . . . . . . 36 GLN CO . 25196 1 139 . 1 1 36 36 GLN CA C 13 54.67 . . . . . . . 36 GLN CA . 25196 1 140 . 1 1 36 36 GLN CB C 13 28.67 . . . . . . . 36 GLN CB . 25196 1 141 . 1 1 36 36 GLN N N 15 122.0 . . . . . . . 36 GLN N . 25196 1 142 . 1 1 37 37 THR H H 1 8.120 . . . . . . . 37 THR H . 25196 1 143 . 1 1 37 37 THR C C 13 171.67 . . . . . . . 37 THR CO . 25196 1 144 . 1 1 37 37 THR CA C 13 59.67 . . . . . . . 37 THR CA . 25196 1 145 . 1 1 37 37 THR CB C 13 68.67 . . . . . . . 37 THR CB . 25196 1 146 . 1 1 37 37 THR N N 15 118.7 . . . . . . . 37 THR N . 25196 1 147 . 1 1 38 38 PRO C C 13 173.67 . . . . . . . 38 PRO CO . 25196 1 148 . 1 1 38 38 PRO CA C 13 62.67 . . . . . . . 38 PRO CA . 25196 1 149 . 1 1 38 38 PRO CB C 13 31.67 . . . . . . . 38 PRO CB . 25196 1 150 . 1 1 39 39 SER H H 1 8.297 . . . . . . . 39 SER H . 25196 1 151 . 1 1 39 39 SER C C 13 173.67 . . . . . . . 39 SER CO . 25196 1 152 . 1 1 39 39 SER CA C 13 57.67 . . . . . . . 39 SER CA . 25196 1 153 . 1 1 39 39 SER CB C 13 62.67 . . . . . . . 39 SER CB . 25196 1 154 . 1 1 39 39 SER N N 15 116.8 . . . . . . . 39 SER N . 25196 1 155 . 1 1 40 40 GLU H H 1 8.191 . . . . . . . 40 GLU H . 25196 1 156 . 1 1 40 40 GLU C C 13 173.67 . . . . . . . 40 GLU CO . 25196 1 157 . 1 1 40 40 GLU CA C 13 53.67 . . . . . . . 40 GLU CA . 25196 1 158 . 1 1 40 40 GLU CB C 13 28.67 . . . . . . . 40 GLU CB . 25196 1 159 . 1 1 40 40 GLU N N 15 123.6 . . . . . . . 40 GLU N . 25196 1 160 . 1 1 41 41 PRO C C 13 175.67 . . . . . . . 41 PRO CO . 25196 1 161 . 1 1 41 41 PRO CA C 13 62.67 . . . . . . . 41 PRO CA . 25196 1 162 . 1 1 41 41 PRO CB C 13 31.67 . . . . . . . 41 PRO CB . 25196 1 163 . 1 1 42 42 ALA H H 1 8.318 . . . . . . . 42 ALA H . 25196 1 164 . 1 1 42 42 ALA C C 13 177.67 . . . . . . . 42 ALA CO . 25196 1 165 . 1 1 42 42 ALA CA C 13 51.67 . . . . . . . 42 ALA CA . 25196 1 166 . 1 1 42 42 ALA CB C 13 18.67 . . . . . . . 42 ALA CB . 25196 1 167 . 1 1 42 42 ALA N N 15 124.4 . . . . . . . 42 ALA N . 25196 1 168 . 1 1 43 43 SER H H 1 8.170 . . . . . . . 43 SER H . 25196 1 169 . 1 1 43 43 SER C C 13 173.67 . . . . . . . 43 SER CO . 25196 1 170 . 1 1 43 43 SER CA C 13 57.67 . . . . . . . 43 SER CA . 25196 1 171 . 1 1 43 43 SER CB C 13 62.67 . . . . . . . 43 SER CB . 25196 1 172 . 1 1 43 43 SER N N 15 115.3 . . . . . . . 43 SER N . 25196 1 173 . 1 1 44 44 ALA H H 1 8.320 . . . . . . . 44 ALA H . 25196 1 174 . 1 1 44 44 ALA CA C 13 51.67 . . . . . . . 44 ALA CA . 25196 1 175 . 1 1 44 44 ALA CB C 13 18.67 . . . . . . . 44 ALA CB . 25196 1 176 . 1 1 44 44 ALA N N 15 126.4 . . . . . . . 44 ALA N . 25196 1 177 . 1 1 45 45 ASP H H 1 8.034 . . . . . . . 45 ASP H . 25196 1 178 . 1 1 45 45 ASP C C 13 175.67 . . . . . . . 45 ASP CO . 25196 1 179 . 1 1 45 45 ASP CA C 13 53.67 . . . . . . . 45 ASP CA . 25196 1 180 . 1 1 45 45 ASP CB C 13 40.67 . . . . . . . 45 ASP CB . 25196 1 181 . 1 1 45 45 ASP N N 15 118.9 . . . . . . . 45 ASP N . 25196 1 182 . 1 1 46 46 GLY H H 1 8.081 . . . . . . . 46 GLY H . 25196 1 183 . 1 1 46 46 GLY C C 13 173.67 . . . . . . . 46 GLY CO . 25196 1 184 . 1 1 46 46 GLY CA C 13 44.67 . . . . . . . 46 GLY CA . 25196 1 185 . 1 1 46 46 GLY N N 15 108.8 . . . . . . . 46 GLY N . 25196 1 186 . 1 1 47 47 HIS H H 1 8.084 . . . . . . . 47 HIS H . 25196 1 187 . 1 1 47 47 HIS C C 13 173.67 . . . . . . . 47 HIS CO . 25196 1 188 . 1 1 47 47 HIS CA C 13 55.67 . . . . . . . 47 HIS CA . 25196 1 189 . 1 1 47 47 HIS CB C 13 28.67 . . . . . . . 47 HIS CB . 25196 1 190 . 1 1 47 47 HIS N N 15 118.5 . . . . . . . 47 HIS N . 25196 1 191 . 1 1 48 48 ASP H H 1 8.250 . . . . . . . 48 ASP H . 25196 1 192 . 1 1 48 48 ASP C C 13 175.67 . . . . . . . 48 ASP CO . 25196 1 193 . 1 1 48 48 ASP CA C 13 53.67 . . . . . . . 48 ASP CA . 25196 1 194 . 1 1 48 48 ASP CB C 13 40.67 . . . . . . . 48 ASP CB . 25196 1 195 . 1 1 48 48 ASP N N 15 121.0 . . . . . . . 48 ASP N . 25196 1 196 . 1 1 49 49 GLY H H 1 7.961 . . . . . . . 49 GLY H . 25196 1 197 . 1 1 49 49 GLY CA C 13 43.67 . . . . . . . 49 GLY CA . 25196 1 198 . 1 1 49 49 GLY N N 15 109.0 . . . . . . . 49 GLY N . 25196 1 199 . 1 1 50 50 PRO C C 13 176.67 . . . . . . . 50 PRO CO . 25196 1 200 . 1 1 50 50 PRO CA C 13 62.67 . . . . . . . 50 PRO CA . 25196 1 201 . 1 1 50 50 PRO CB C 13 31.67 . . . . . . . 50 PRO CB . 25196 1 202 . 1 1 51 51 SER H H 1 8.279 . . . . . . . 51 SER H . 25196 1 203 . 1 1 51 51 SER C C 13 173.67 . . . . . . . 51 SER CO . 25196 1 204 . 1 1 51 51 SER CA C 13 57.67 . . . . . . . 51 SER CA . 25196 1 205 . 1 1 51 51 SER CB C 13 62.67 . . . . . . . 51 SER CB . 25196 1 206 . 1 1 51 51 SER N N 15 116.2 . . . . . . . 51 SER N . 25196 1 207 . 1 1 52 52 ALA H H 1 8.128 . . . . . . . 52 ALA H . 25196 1 208 . 1 1 52 52 ALA C C 13 176.67 . . . . . . . 52 ALA CO . 25196 1 209 . 1 1 52 52 ALA CA C 13 51.67 . . . . . . . 52 ALA CA . 25196 1 210 . 1 1 52 52 ALA CB C 13 18.67 . . . . . . . 52 ALA CB . 25196 1 211 . 1 1 52 52 ALA N N 15 126.0 . . . . . . . 52 ALA N . 25196 1 212 . 1 1 53 53 ALA H H 1 7.942 . . . . . . . 53 ALA H . 25196 1 213 . 1 1 53 53 ALA CA C 13 51.67 . . . . . . . 53 ALA CA . 25196 1 214 . 1 1 53 53 ALA CB C 13 18.67 . . . . . . . 53 ALA CB . 25196 1 215 . 1 1 53 53 ALA N N 15 122.6 . . . . . . . 53 ALA N . 25196 1 216 . 1 1 54 54 PHE H H 1 7.874 . . . . . . . 54 PHE H . 25196 1 217 . 1 1 54 54 PHE CA C 13 56.67 . . . . . . . 54 PHE CA . 25196 1 218 . 1 1 54 54 PHE CB C 13 38.67 . . . . . . . 54 PHE CB . 25196 1 219 . 1 1 54 54 PHE N N 15 119.3 . . . . . . . 54 PHE N . 25196 1 220 . 1 1 55 55 ALA H H 1 7.934 . . . . . . . 55 ALA H . 25196 1 221 . 1 1 55 55 ALA CA C 13 49.67 . . . . . . . 55 ALA CA . 25196 1 222 . 1 1 55 55 ALA CB C 13 17.67 . . . . . . . 55 ALA CB . 25196 1 223 . 1 1 55 55 ALA N N 15 127.5 . . . . . . . 55 ALA N . 25196 1 224 . 1 1 56 56 PRO C C 13 175.67 . . . . . . . 56 PRO CO . 25196 1 225 . 1 1 56 56 PRO CA C 13 61.67 . . . . . . . 56 PRO CA . 25196 1 226 . 1 1 56 56 PRO CB C 13 31.67 . . . . . . . 56 PRO CB . 25196 1 227 . 1 1 57 57 ALA H H 1 8.224 . . . . . . . 57 ALA H . 25196 1 228 . 1 1 57 57 ALA CA C 13 51.67 . . . . . . . 57 ALA CA . 25196 1 229 . 1 1 57 57 ALA CB C 13 18.67 . . . . . . . 57 ALA CB . 25196 1 230 . 1 1 57 57 ALA N N 15 124.5 . . . . . . . 57 ALA N . 25196 1 231 . 1 1 58 58 ALA H H 1 8.029 . . . . . . . 58 ALA H . 25196 1 232 . 1 1 58 58 ALA C C 13 176.67 . . . . . . . 58 ALA CO . 25196 1 233 . 1 1 58 58 ALA CA C 13 51.67 . . . . . . . 58 ALA CA . 25196 1 234 . 1 1 58 58 ALA CB C 13 18.67 . . . . . . . 58 ALA CB . 25196 1 235 . 1 1 58 58 ALA N N 15 123.0 . . . . . . . 58 ALA N . 25196 1 236 . 1 1 59 59 ALA H H 1 8.115 . . . . . . . 59 ALA H . 25196 1 237 . 1 1 59 59 ALA C C 13 176.67 . . . . . . . 59 ALA CO . 25196 1 238 . 1 1 59 59 ALA CA C 13 51.67 . . . . . . . 59 ALA CA . 25196 1 239 . 1 1 59 59 ALA CB C 13 18.67 . . . . . . . 59 ALA CB . 25196 1 240 . 1 1 59 59 ALA N N 15 123.7 . . . . . . . 59 ALA N . 25196 1 241 . 1 1 60 60 GLU H H 1 8.214 . . . . . . . 60 GLU H . 25196 1 242 . 1 1 60 60 GLU CA C 13 53.67 . . . . . . . 60 GLU CA . 25196 1 243 . 1 1 60 60 GLU CB C 13 28.67 . . . . . . . 60 GLU CB . 25196 1 244 . 1 1 60 60 GLU N N 15 121.7 . . . . . . . 60 GLU N . 25196 1 245 . 1 1 61 61 PRO CA C 13 62.67 . . . . . . . 61 PRO CA . 25196 1 246 . 1 1 61 61 PRO CB C 13 31.67 . . . . . . . 61 PRO CB . 25196 1 247 . 1 1 62 62 ASP H H 1 8.228 . . . . . . . 62 ASP H . 25196 1 248 . 1 1 62 62 ASP CA C 13 53.67 . . . . . . . 62 ASP CA . 25196 1 249 . 1 1 62 62 ASP CB C 13 40.67 . . . . . . . 62 ASP CB . 25196 1 250 . 1 1 62 62 ASP N N 15 120.3 . . . . . . . 62 ASP N . 25196 1 251 . 1 1 63 63 LEU H H 1 7.998 . . . . . . . 63 LEU H . 25196 1 252 . 1 1 63 63 LEU CA C 13 54.67 . . . . . . . 63 LEU CA . 25196 1 253 . 1 1 63 63 LEU CB C 13 41.67 . . . . . . . 63 LEU CB . 25196 1 254 . 1 1 63 63 LEU N N 15 122.9 . . . . . . . 63 LEU N . 25196 1 255 . 1 1 64 64 PHE H H 1 8.137 . . . . . . . 64 PHE H . 25196 1 256 . 1 1 64 64 PHE CA C 13 56.67 . . . . . . . 64 PHE CA . 25196 1 257 . 1 1 64 64 PHE CB C 13 38.67 . . . . . . . 64 PHE CB . 25196 1 258 . 1 1 64 64 PHE N N 15 119.9 . . . . . . . 64 PHE N . 25196 1 259 . 1 1 65 65 GLY H H 1 8.066 . . . . . . . 65 GLY H . 25196 1 260 . 1 1 65 65 GLY CA C 13 44.67 . . . . . . . 65 GLY CA . 25196 1 261 . 1 1 65 65 GLY N N 15 110.6 . . . . . . . 65 GLY N . 25196 1 262 . 1 1 66 66 GLY H H 1 7.729 . . . . . . . 66 GLY H . 25196 1 263 . 1 1 66 66 GLY CA C 13 44.67 . . . . . . . 66 GLY CA . 25196 1 264 . 1 1 66 66 GLY N N 15 108.1 . . . . . . . 66 GLY N . 25196 1 265 . 1 1 67 67 PHE H H 1 7.952 . . . . . . . 67 PHE H . 25196 1 266 . 1 1 67 67 PHE CA C 13 56.67 . . . . . . . 67 PHE CA . 25196 1 267 . 1 1 67 67 PHE CB C 13 38.67 . . . . . . . 67 PHE CB . 25196 1 268 . 1 1 67 67 PHE N N 15 119.7 . . . . . . . 67 PHE N . 25196 1 269 . 1 1 68 68 ASN H H 1 8.293 . . . . . . . 68 ASN H . 25196 1 270 . 1 1 68 68 ASN CA C 13 52.67 . . . . . . . 68 ASN CA . 25196 1 271 . 1 1 68 68 ASN CB C 13 38.67 . . . . . . . 68 ASN CB . 25196 1 272 . 1 1 68 68 ASN N N 15 120.9 . . . . . . . 68 ASN N . 25196 1 273 . 1 1 69 69 SER H H 1 8.169 . . . . . . . 69 SER H . 25196 1 274 . 1 1 69 69 SER CA C 13 57.67 . . . . . . . 69 SER CA . 25196 1 275 . 1 1 69 69 SER CB C 13 62.67 . . . . . . . 69 SER CB . 25196 1 276 . 1 1 69 69 SER N N 15 117.0 . . . . . . . 69 SER N . 25196 1 277 . 1 1 70 70 SER H H 1 8.207 . . . . . . . 70 SER H . 25196 1 278 . 1 1 70 70 SER C C 13 173.67 . . . . . . . 70 SER CO . 25196 1 279 . 1 1 70 70 SER CA C 13 57.67 . . . . . . . 70 SER CA . 25196 1 280 . 1 1 70 70 SER CB C 13 62.67 . . . . . . . 70 SER CB . 25196 1 281 . 1 1 70 70 SER N N 15 117.5 . . . . . . . 70 SER N . 25196 1 282 . 1 1 71 71 ASP H H 1 8.050 . . . . . . . 71 ASP H . 25196 1 283 . 1 1 71 71 ASP C C 13 175.67 . . . . . . . 71 ASP CO . 25196 1 284 . 1 1 71 71 ASP CA C 13 53.67 . . . . . . . 71 ASP CA . 25196 1 285 . 1 1 71 71 ASP CB C 13 40.67 . . . . . . . 71 ASP CB . 25196 1 286 . 1 1 71 71 ASP N N 15 121.9 . . . . . . . 71 ASP N . 25196 1 287 . 1 1 72 72 THR H H 1 7.876 . . . . . . . 72 THR H . 25196 1 288 . 1 1 72 72 THR C C 13 173.67 . . . . . . . 72 THR CO . 25196 1 289 . 1 1 72 72 THR CA C 13 61.67 . . . . . . . 72 THR CA . 25196 1 290 . 1 1 72 72 THR CB C 13 68.67 . . . . . . . 72 THR CB . 25196 1 291 . 1 1 72 72 THR N N 15 114.4 . . . . . . . 72 THR N . 25196 1 292 . 1 1 73 73 VAL H H 1 8.004 . . . . . . . 73 VAL H . 25196 1 293 . 1 1 73 73 VAL C C 13 175.67 . . . . . . . 73 VAL CO . 25196 1 294 . 1 1 73 73 VAL CA C 13 61.67 . . . . . . . 73 VAL CA . 25196 1 295 . 1 1 73 73 VAL CB C 13 31.67 . . . . . . . 73 VAL CB . 25196 1 296 . 1 1 73 73 VAL N N 15 123.0 . . . . . . . 73 VAL N . 25196 1 297 . 1 1 74 74 THR H H 1 8.093 . . . . . . . 74 THR H . 25196 1 298 . 1 1 74 74 THR C C 13 173.67 . . . . . . . 74 THR CO . 25196 1 299 . 1 1 74 74 THR CA C 13 60.67 . . . . . . . 74 THR CA . 25196 1 300 . 1 1 74 74 THR CB C 13 68.67 . . . . . . . 74 THR CB . 25196 1 301 . 1 1 74 74 THR N N 15 118.2 . . . . . . . 74 THR N . 25196 1 302 . 1 1 75 75 SER H H 1 8.142 . . . . . . . 75 SER H . 25196 1 303 . 1 1 75 75 SER C C 13 171.67 . . . . . . . 75 SER CO . 25196 1 304 . 1 1 75 75 SER CA C 13 55.67 . . . . . . . 75 SER CA . 25196 1 305 . 1 1 75 75 SER CB C 13 62.67 . . . . . . . 75 SER CB . 25196 1 306 . 1 1 75 75 SER N N 15 119.7 . . . . . . . 75 SER N . 25196 1 307 . 1 1 76 76 PRO CA C 13 62.67 . . . . . . . 76 PRO CA . 25196 1 308 . 1 1 76 76 PRO CB C 13 31.67 . . . . . . . 76 PRO CB . 25196 1 309 . 1 1 77 77 GLN H H 1 8.262 . . . . . . . 77 GLN H . 25196 1 310 . 1 1 77 77 GLN CA C 13 54.67 . . . . . . . 77 GLN CA . 25196 1 311 . 1 1 77 77 GLN CB C 13 28.67 . . . . . . . 77 GLN CB . 25196 1 312 . 1 1 77 77 GLN N N 15 120.5 . . . . . . . 77 GLN N . 25196 1 313 . 1 1 78 78 ARG H H 1 8.182 . . . . . . . 78 ARG H . 25196 1 314 . 1 1 78 78 ARG CA C 13 54.67 . . . . . . . 78 ARG CA . 25196 1 315 . 1 1 78 78 ARG CB C 13 30.67 . . . . . . . 78 ARG CB . 25196 1 316 . 1 1 78 78 ARG N N 15 122.9 . . . . . . . 78 ARG N . 25196 1 317 . 1 1 79 79 ALA H H 1 8.224 . . . . . . . 79 ALA H . 25196 1 318 . 1 1 79 79 ALA CA C 13 51.67 . . . . . . . 79 ALA CA . 25196 1 319 . 1 1 79 79 ALA CB C 13 18.67 . . . . . . . 79 ALA CB . 25196 1 320 . 1 1 79 79 ALA N N 15 125.8 . . . . . . . 79 ALA N . 25196 1 321 . 1 1 80 80 GLY H H 1 8.086 . . . . . . . 80 GLY H . 25196 1 322 . 1 1 80 80 GLY CA C 13 43.67 . . . . . . . 80 GLY CA . 25196 1 323 . 1 1 80 80 GLY N N 15 108.7 . . . . . . . 80 GLY N . 25196 1 324 . 1 1 81 81 PRO CA C 13 62.67 . . . . . . . 81 PRO CA . 25196 1 325 . 1 1 81 81 PRO CB C 13 31.67 . . . . . . . 81 PRO CB . 25196 1 326 . 1 1 82 82 GLU H H 1 8.516 . . . . . . . 82 GLU H . 25196 1 327 . 1 1 82 82 GLU CA C 13 55.67 . . . . . . . 82 GLU CA . 25196 1 328 . 1 1 82 82 GLU CB C 13 28.67 . . . . . . . 82 GLU CB . 25196 1 329 . 1 1 82 82 GLU N N 15 120.7 . . . . . . . 82 GLU N . 25196 1 330 . 1 1 83 83 ALA H H 1 8.070 . . . . . . . 83 ALA H . 25196 1 331 . 1 1 83 83 ALA CA C 13 51.67 . . . . . . . 83 ALA CA . 25196 1 332 . 1 1 83 83 ALA CB C 13 18.67 . . . . . . . 83 ALA CB . 25196 1 333 . 1 1 83 83 ALA N N 15 124.9 . . . . . . . 83 ALA N . 25196 1 334 . 1 1 84 84 GLY H H 1 8.091 . . . . . . . 84 GLY H . 25196 1 335 . 1 1 84 84 GLY CA C 13 44.67 . . . . . . . 84 GLY CA . 25196 1 336 . 1 1 84 84 GLY N N 15 107.9 . . . . . . . 84 GLY N . 25196 1 337 . 1 1 85 85 GLY H H 1 8.029 . . . . . . . 85 GLY H . 25196 1 338 . 1 1 85 85 GLY C C 13 173.67 . . . . . . . 85 GLY CO . 25196 1 339 . 1 1 85 85 GLY CA C 13 44.67 . . . . . . . 85 GLY CA . 25196 1 340 . 1 1 85 85 GLY N N 15 108.5 . . . . . . . 85 GLY N . 25196 1 341 . 1 1 86 86 SER H H 1 8.105 . . . . . . . 86 SER H . 25196 1 342 . 1 1 86 86 SER C C 13 173.67 . . . . . . . 86 SER CO . 25196 1 343 . 1 1 86 86 SER CA C 13 57.67 . . . . . . . 86 SER CA . 25196 1 344 . 1 1 86 86 SER CB C 13 62.67 . . . . . . . 86 SER CB . 25196 1 345 . 1 1 86 86 SER N N 15 115.5 . . . . . . . 86 SER N . 25196 1 346 . 1 1 87 87 ALA H H 1 8.165 . . . . . . . 87 ALA H . 25196 1 347 . 1 1 87 87 ALA CA C 13 51.67 . . . . . . . 87 ALA CA . 25196 1 348 . 1 1 87 87 ALA CB C 13 17.67 . . . . . . . 87 ALA CB . 25196 1 349 . 1 1 87 87 ALA N N 15 125.3 . . . . . . . 87 ALA N . 25196 1 350 . 1 1 88 88 TRP H H 1 7.748 . . . . . . . 88 TRP H . 25196 1 351 . 1 1 88 88 TRP CA C 13 56.67 . . . . . . . 88 TRP CA . 25196 1 352 . 1 1 88 88 TRP CB C 13 28.67 . . . . . . . 88 TRP CB . 25196 1 353 . 1 1 88 88 TRP N N 15 119.2 . . . . . . . 88 TRP N . 25196 1 354 . 1 1 89 89 SER H H 1 7.625 . . . . . . . 89 SER H . 25196 1 355 . 1 1 89 89 SER CA C 13 57.67 . . . . . . . 89 SER CA . 25196 1 356 . 1 1 89 89 SER CB C 13 62.67 . . . . . . . 89 SER CB . 25196 1 357 . 1 1 89 89 SER N N 15 117.2 . . . . . . . 89 SER N . 25196 1 358 . 1 1 90 90 HIS H H 1 7.893 . . . . . . . 90 HIS H . 25196 1 359 . 1 1 90 90 HIS CA C 13 53.67 . . . . . . . 90 HIS CA . 25196 1 360 . 1 1 90 90 HIS CB C 13 28.67 . . . . . . . 90 HIS CB . 25196 1 361 . 1 1 90 90 HIS N N 15 121.7 . . . . . . . 90 HIS N . 25196 1 362 . 1 1 91 91 PRO CA C 13 62.67 . . . . . . . 91 PRO CA . 25196 1 363 . 1 1 91 91 PRO CB C 13 31.67 . . . . . . . 91 PRO CB . 25196 1 364 . 1 1 92 92 GLN H H 1 8.477 . . . . . . . 92 GLN H . 25196 1 365 . 1 1 92 92 GLN CA C 13 54.67 . . . . . . . 92 GLN CA . 25196 1 366 . 1 1 92 92 GLN CB C 13 28.67 . . . . . . . 92 GLN CB . 25196 1 367 . 1 1 92 92 GLN N N 15 120.6 . . . . . . . 92 GLN N . 25196 1 368 . 1 1 93 93 PHE H H 1 8.009 . . . . . . . 93 PHE H . 25196 1 369 . 1 1 93 93 PHE CA C 13 56.67 . . . . . . . 93 PHE CA . 25196 1 370 . 1 1 93 93 PHE CB C 13 38.67 . . . . . . . 93 PHE CB . 25196 1 371 . 1 1 93 93 PHE N N 15 120.5 . . . . . . . 93 PHE N . 25196 1 372 . 1 1 94 94 GLU H H 1 8.127 . . . . . . . 94 GLU H . 25196 1 373 . 1 1 94 94 GLU CA C 13 55.67 . . . . . . . 94 GLU CA . 25196 1 374 . 1 1 94 94 GLU CB C 13 29.67 . . . . . . . 94 GLU CB . 25196 1 375 . 1 1 94 94 GLU N N 15 122.8 . . . . . . . 94 GLU N . 25196 1 376 . 1 1 95 95 LYS H H 1 7.742 . . . . . . . 95 LYS H . 25196 1 377 . 1 1 95 95 LYS CA C 13 56.67 . . . . . . . 95 LYS CA . 25196 1 378 . 1 1 95 95 LYS CB C 13 32.67 . . . . . . . 95 LYS CB . 25196 1 379 . 1 1 95 95 LYS N N 15 127.2 . . . . . . . 95 LYS N . 25196 1 stop_ save_