data_27533 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27533 _Entry.Title ; NBPF-15 HLS2-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-05 _Entry.Accession_date 2018-07-05 _Entry.Last_release_date 2018-07-06 _Entry.Original_release_date 2018-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of Human Lineage Specific-2 (HLS-2) domain residues 401-487 (12-99 in our table)' _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 Aaron Issaian . V. . . 27533 2 Kirk Hansen . C. . . 27533 3 James Sikela . . . . 27533 4 Beat Vogeli . . . . 27533 5 Morkos Henen . A. . . 27533 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Colorado, School of Medicine, USA' . 27533 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27533 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 27533 '15N chemical shifts' 77 27533 '1H chemical shifts' 77 27533 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 . . 2019-09-23 2018-07-05 update BMRB 'update entry citation' 27533 1 . . 2019-07-02 2018-07-05 original author 'original release' 27533 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI NP_001164226.1 . 27533 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27533 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-019-09902-0 _Citation.PubMed_ID 31264103 _Citation.Full_citation . _Citation.Title ; Solution NMR backbone assignment reveals interaction-free tumbling of human lineage-specific Olduvai protein domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 339 _Citation.Page_last 343 _Citation.Year 2019 _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 Aaron Issaian . . . . 27533 1 2 Lauren Schmitt . . . . 27533 1 3 Alexandra Born . . . . 27533 1 4 Parker Nichols . J. . . 27533 1 5 James Sikela . . . . 27533 1 6 Kirk Hansen . . . . 27533 1 7 Beat Vogeli . . . . 27533 1 8 Morkos Henen . A. . . 27533 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Brain Evolution' 27533 1 HLS 27533 1 'NBPF 15' 27533 1 Olduvai 27533 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27533 _Assembly.ID 1 _Assembly.Name 'HLS2 Monomer' _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 HLS2 1 $HLS-2 A . yes 'intrinsically disordered' no no . . . 27533 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The Olduvai Triplet contains three human lineage-specific Olduvai domains, HLS1, HLS2, and HLS3.' 27533 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HLS-2 _Entity.Sf_category entity _Entity.Sf_framecode HLS-2 _Entity.Entry_ID 27533 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HLS-2 _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 ; SAAAASSASLEIDMDEIEKY QEVEEDQDPSCPRLSRELLD EKEPEVLQDSLDRCYSTPSD YLELPDLGQPYSSAVYSLEE QYLGLALDVDRIKKDQEELE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The residues 12-99 corresponding to 401-487 in the actual protein.' _Entity.Polymer_author_seq_details 'The numbering goes from 1-106 where 1-11 and 100-106 are cloning artifact and tags while actual protein is 12-99.' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Believed to have a role in Human brain evolution.' 27533 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 . SER . 27533 1 2 . ALA . 27533 1 3 . ALA . 27533 1 4 . ALA . 27533 1 5 . ALA . 27533 1 6 . SER . 27533 1 7 . SER . 27533 1 8 . ALA . 27533 1 9 . SER . 27533 1 10 . LEU . 27533 1 11 . GLU . 27533 1 12 . ILE . 27533 1 13 . ASP . 27533 1 14 . MET . 27533 1 15 . ASP . 27533 1 16 . GLU . 27533 1 17 . ILE . 27533 1 18 . GLU . 27533 1 19 . LYS . 27533 1 20 . TYR . 27533 1 21 . GLN . 27533 1 22 . GLU . 27533 1 23 . VAL . 27533 1 24 . GLU . 27533 1 25 . GLU . 27533 1 26 . ASP . 27533 1 27 . GLN . 27533 1 28 . ASP . 27533 1 29 . PRO . 27533 1 30 . SER . 27533 1 31 . CYS . 27533 1 32 . PRO . 27533 1 33 . ARG . 27533 1 34 . LEU . 27533 1 35 . SER . 27533 1 36 . ARG . 27533 1 37 . GLU . 27533 1 38 . LEU . 27533 1 39 . LEU . 27533 1 40 . ASP . 27533 1 41 . GLU . 27533 1 42 . LYS . 27533 1 43 . GLU . 27533 1 44 . PRO . 27533 1 45 . GLU . 27533 1 46 . VAL . 27533 1 47 . LEU . 27533 1 48 . GLN . 27533 1 49 . ASP . 27533 1 50 . SER . 27533 1 51 . LEU . 27533 1 52 . ASP . 27533 1 53 . ARG . 27533 1 54 . CYS . 27533 1 55 . TYR . 27533 1 56 . SER . 27533 1 57 . THR . 27533 1 58 . PRO . 27533 1 59 . SER . 27533 1 60 . ASP . 27533 1 61 . TYR . 27533 1 62 . LEU . 27533 1 63 . GLU . 27533 1 64 . LEU . 27533 1 65 . PRO . 27533 1 66 . ASP . 27533 1 67 . LEU . 27533 1 68 . GLY . 27533 1 69 . GLN . 27533 1 70 . PRO . 27533 1 71 . TYR . 27533 1 72 . SER . 27533 1 73 . SER . 27533 1 74 . ALA . 27533 1 75 . VAL . 27533 1 76 . TYR . 27533 1 77 . SER . 27533 1 78 . LEU . 27533 1 79 . GLU . 27533 1 80 . GLU . 27533 1 81 . GLN . 27533 1 82 . TYR . 27533 1 83 . LEU . 27533 1 84 . GLY . 27533 1 85 . LEU . 27533 1 86 . ALA . 27533 1 87 . LEU . 27533 1 88 . ASP . 27533 1 89 . VAL . 27533 1 90 . ASP . 27533 1 91 . ARG . 27533 1 92 . ILE . 27533 1 93 . LYS . 27533 1 94 . LYS . 27533 1 95 . ASP . 27533 1 96 . GLN . 27533 1 97 . GLU . 27533 1 98 . GLU . 27533 1 99 . LEU . 27533 1 100 . GLU . 27533 1 101 . HIS . 27533 1 102 . HIS . 27533 1 103 . HIS . 27533 1 104 . HIS . 27533 1 105 . HIS . 27533 1 106 . HIS . 27533 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27533 1 . ALA 2 2 27533 1 . ALA 3 3 27533 1 . ALA 4 4 27533 1 . ALA 5 5 27533 1 . SER 6 6 27533 1 . SER 7 7 27533 1 . ALA 8 8 27533 1 . SER 9 9 27533 1 . LEU 10 10 27533 1 . GLU 11 11 27533 1 . ILE 12 12 27533 1 . ASP 13 13 27533 1 . MET 14 14 27533 1 . ASP 15 15 27533 1 . GLU 16 16 27533 1 . ILE 17 17 27533 1 . GLU 18 18 27533 1 . LYS 19 19 27533 1 . TYR 20 20 27533 1 . GLN 21 21 27533 1 . GLU 22 22 27533 1 . VAL 23 23 27533 1 . GLU 24 24 27533 1 . GLU 25 25 27533 1 . ASP 26 26 27533 1 . GLN 27 27 27533 1 . ASP 28 28 27533 1 . PRO 29 29 27533 1 . SER 30 30 27533 1 . CYS 31 31 27533 1 . PRO 32 32 27533 1 . ARG 33 33 27533 1 . LEU 34 34 27533 1 . SER 35 35 27533 1 . ARG 36 36 27533 1 . GLU 37 37 27533 1 . LEU 38 38 27533 1 . LEU 39 39 27533 1 . ASP 40 40 27533 1 . GLU 41 41 27533 1 . LYS 42 42 27533 1 . GLU 43 43 27533 1 . PRO 44 44 27533 1 . GLU 45 45 27533 1 . VAL 46 46 27533 1 . LEU 47 47 27533 1 . GLN 48 48 27533 1 . ASP 49 49 27533 1 . SER 50 50 27533 1 . LEU 51 51 27533 1 . ASP 52 52 27533 1 . ARG 53 53 27533 1 . CYS 54 54 27533 1 . TYR 55 55 27533 1 . SER 56 56 27533 1 . THR 57 57 27533 1 . PRO 58 58 27533 1 . SER 59 59 27533 1 . ASP 60 60 27533 1 . TYR 61 61 27533 1 . LEU 62 62 27533 1 . GLU 63 63 27533 1 . LEU 64 64 27533 1 . PRO 65 65 27533 1 . ASP 66 66 27533 1 . LEU 67 67 27533 1 . GLY 68 68 27533 1 . GLN 69 69 27533 1 . PRO 70 70 27533 1 . TYR 71 71 27533 1 . SER 72 72 27533 1 . SER 73 73 27533 1 . ALA 74 74 27533 1 . VAL 75 75 27533 1 . TYR 76 76 27533 1 . SER 77 77 27533 1 . LEU 78 78 27533 1 . GLU 79 79 27533 1 . GLU 80 80 27533 1 . GLN 81 81 27533 1 . TYR 82 82 27533 1 . LEU 83 83 27533 1 . GLY 84 84 27533 1 . LEU 85 85 27533 1 . ALA 86 86 27533 1 . LEU 87 87 27533 1 . ASP 88 88 27533 1 . VAL 89 89 27533 1 . ASP 90 90 27533 1 . ARG 91 91 27533 1 . ILE 92 92 27533 1 . LYS 93 93 27533 1 . LYS 94 94 27533 1 . ASP 95 95 27533 1 . GLN 96 96 27533 1 . GLU 97 97 27533 1 . GLU 98 98 27533 1 . LEU 99 99 27533 1 . GLU 100 100 27533 1 . HIS 101 101 27533 1 . HIS 102 102 27533 1 . HIS 103 103 27533 1 . HIS 104 104 27533 1 . HIS 105 105 27533 1 . HIS 106 106 27533 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 27533 _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 $HLS-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . NBPF . 27533 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 27533 _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 $HLS-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET-21 . . . 27533 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27533 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HLS-2 '[U-99% 13C; U-99% 15N]' . . 1 $HLS-2 . . 320 . . uM . . . . 27533 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27533 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27533 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27533 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 27533 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 27533 1 pressure 1 . atm 27533 1 temperature 273 . K 27533 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27533 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27533 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 27533 1 . processing 27533 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27533 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27533 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27533 2 . 'data analysis' 27533 2 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 27533 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cold Probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27533 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cold Probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27533 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 900 'Cold Probe' . . 27533 1 2 spectrometer_2 Varian INOVA . 600 'Cold Probe' . . 27533 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 27533 _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 . . . . . . . . . . . . . . . . . . . . . 27533 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27533 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27533 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27533 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27533 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 27533 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Backbone assignment of 1H, 13C and 15N.' 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 na 'methyl carbon' . . . . ppm 0 external direct 1.0 . . . . . 27533 1 H 1 TMS protons . . . . ppm 0 external direct 1.0 . . . . . 27533 1 N 15 na nitrogen . . . . ppm 0 external direct 1.0 . . . . . 27533 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 27533 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27533 1 2 '3D HNCACB' . . . 27533 1 3 '3D HNCO' . . . 27533 1 4 '3D HCACO' . . . 27533 1 5 '3D CBCA(CO)NH' . . . 27533 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 ALA H H 1 8.304 0.005 . 1 . . . . . 8 ALA HN . 27533 1 2 . 1 1 8 8 ALA C C 13 179.664 0.000 . 1 . . . . . 8 ALA C . 27533 1 3 . 1 1 8 8 ALA CA C 13 52.740 0.000 . 1 . . . . . 8 ALA CA . 27533 1 4 . 1 1 8 8 ALA CB C 13 19.195 0.000 . 1 . . . . . 8 ALA CB . 27533 1 5 . 1 1 8 8 ALA N N 15 125.871 0.037 . 1 . . . . . 8 ALA N . 27533 1 6 . 1 1 9 9 SER H H 1 8.229 0.006 . 1 . . . . . 9 SER HN . 27533 1 7 . 1 1 9 9 SER C C 13 176.342 0.000 . 1 . . . . . 9 SER C . 27533 1 8 . 1 1 9 9 SER CA C 13 58.250 0.000 . 1 . . . . . 9 SER CA . 27533 1 9 . 1 1 9 9 SER CB C 13 63.710 0.000 . 1 . . . . . 9 SER CB . 27533 1 10 . 1 1 9 9 SER N N 15 114.825 0.040 . 1 . . . . . 9 SER N . 27533 1 11 . 1 1 10 10 LEU H H 1 8.223 0.006 . 1 . . . . . 10 LEU HN . 27533 1 12 . 1 1 10 10 LEU C C 13 179.132 0.000 . 1 . . . . . 10 LEU C . 27533 1 13 . 1 1 10 10 LEU CA C 13 55.229 0.000 . 1 . . . . . 10 LEU CA . 27533 1 14 . 1 1 10 10 LEU CB C 13 42.395 0.000 . 1 . . . . . 10 LEU CB . 27533 1 15 . 1 1 10 10 LEU N N 15 123.988 0.024 . 1 . . . . . 10 LEU N . 27533 1 16 . 1 1 11 11 GLU H H 1 8.333 0.003 . 1 . . . . . 11 GLU HN . 27533 1 17 . 1 1 11 11 GLU C C 13 178.080 0.003 . 1 . . . . . 11 GLU C . 27533 1 18 . 1 1 11 11 GLU CA C 13 56.450 0.000 . 1 . . . . . 11 GLU CA . 27533 1 19 . 1 1 11 11 GLU CB C 13 30.090 0.000 . 1 . . . . . 11 GLU CB . 27533 1 20 . 1 1 11 11 GLU N N 15 121.648 0.063 . 1 . . . . . 11 GLU N . 27533 1 21 . 1 1 12 12 ILE H H 1 8.025 0.005 . 1 . . . . . 12 ILE HN . 27533 1 22 . 1 1 12 12 ILE C C 13 177.437 0.000 . 1 . . . . . 12 ILE C . 27533 1 23 . 1 1 12 12 ILE CA C 13 60.969 0.000 . 1 . . . . . 12 ILE CA . 27533 1 24 . 1 1 12 12 ILE CB C 13 39.364 0.000 . 1 . . . . . 12 ILE CB . 27533 1 25 . 1 1 12 12 ILE N N 15 121.210 0.000 . 1 . . . . . 12 ILE N . 27533 1 26 . 1 1 13 13 ASP H H 1 8.420 0.005 . 1 . . . . . 13 ASP HN . 27533 1 27 . 1 1 13 13 ASP C C 13 178.212 0.000 . 1 . . . . . 13 ASP C . 27533 1 28 . 1 1 13 13 ASP CA C 13 54.143 0.000 . 1 . . . . . 13 ASP CA . 27533 1 29 . 1 1 13 13 ASP CB C 13 41.158 0.000 . 1 . . . . . 13 ASP CB . 27533 1 30 . 1 1 13 13 ASP N N 15 124.554 0.004 . 1 . . . . . 13 ASP N . 27533 1 31 . 1 1 14 14 MET H H 1 8.395 0.006 . 1 . . . . . 14 MET HN . 27533 1 32 . 1 1 14 14 MET C C 13 178.206 0.000 . 1 . . . . . 14 MET C . 27533 1 33 . 1 1 14 14 MET CA C 13 55.779 0.000 . 1 . . . . . 14 MET CA . 27533 1 34 . 1 1 14 14 MET CB C 13 32.804 0.000 . 1 . . . . . 14 MET CB . 27533 1 35 . 1 1 14 14 MET N N 15 121.810 0.051 . 1 . . . . . 14 MET N . 27533 1 36 . 1 1 15 15 ASP H H 1 8.430 0.014 . 1 . . . . . 15 ASP HN . 27533 1 37 . 1 1 15 15 ASP C C 13 178.375 0.000 . 1 . . . . . 15 ASP C . 27533 1 38 . 1 1 15 15 ASP CA C 13 54.982 0.000 . 1 . . . . . 15 ASP CA . 27533 1 39 . 1 1 15 15 ASP CB C 13 41.140 0.000 . 1 . . . . . 15 ASP CB . 27533 1 40 . 1 1 15 15 ASP N N 15 120.969 0.008 . 1 . . . . . 15 ASP N . 27533 1 41 . 1 1 16 16 GLU H H 1 8.207 0.003 . 1 . . . . . 16 GLU HN . 27533 1 42 . 1 1 16 16 GLU C C 13 178.565 0.000 . 1 . . . . . 16 GLU C . 27533 1 43 . 1 1 16 16 GLU CA C 13 56.820 0.000 . 1 . . . . . 16 GLU CA . 27533 1 44 . 1 1 16 16 GLU CB C 13 30.126 0.000 . 1 . . . . . 16 GLU CB . 27533 1 45 . 1 1 16 16 GLU N N 15 120.641 0.024 . 1 . . . . . 16 GLU N . 27533 1 46 . 1 1 17 17 ILE H H 1 7.975 0.004 . 1 . . . . . 17 ILE HN . 27533 1 47 . 1 1 17 17 ILE C C 13 178.532 0.000 . 1 . . . . . 17 ILE C . 27533 1 48 . 1 1 17 17 ILE CA C 13 61.752 0.000 . 1 . . . . . 17 ILE CA . 27533 1 49 . 1 1 17 17 ILE CB C 13 38.564 0.000 . 1 . . . . . 17 ILE CB . 27533 1 50 . 1 1 17 17 ILE N N 15 120.974 0.016 . 1 . . . . . 17 ILE N . 27533 1 51 . 1 1 18 18 GLU H H 1 8.409 0.004 . 1 . . . . . 18 GLU HN . 27533 1 52 . 1 1 18 18 GLU C C 13 178.351 0.000 . 1 . . . . . 18 GLU C . 27533 1 53 . 1 1 18 18 GLU CA C 13 56.998 0.000 . 1 . . . . . 18 GLU CA . 27533 1 54 . 1 1 18 18 GLU CB C 13 29.997 0.000 . 1 . . . . . 18 GLU CB . 27533 1 55 . 1 1 18 18 GLU N N 15 123.821 0.001 . 1 . . . . . 18 GLU N . 27533 1 56 . 1 1 19 19 LYS H H 1 8.121 0.006 . 1 . . . . . 19 LYS HN . 27533 1 57 . 1 1 19 19 LYS C C 13 178.211 0.000 . 1 . . . . . 19 LYS C . 27533 1 58 . 1 1 19 19 LYS CA C 13 56.493 0.000 . 1 . . . . . 19 LYS CA . 27533 1 59 . 1 1 19 19 LYS CB C 13 33.064 0.000 . 1 . . . . . 19 LYS CB . 27533 1 60 . 1 1 19 19 LYS N N 15 121.812 0.043 . 1 . . . . . 19 LYS N . 27533 1 61 . 1 1 20 20 TYR H H 1 8.155 0.006 . 1 . . . . . 20 TYR HN . 27533 1 62 . 1 1 20 20 TYR C C 13 177.420 0.000 . 1 . . . . . 20 TYR C . 27533 1 63 . 1 1 20 20 TYR CA C 13 57.964 0.000 . 1 . . . . . 20 TYR CA . 27533 1 64 . 1 1 20 20 TYR CB C 13 38.584 0.000 . 1 . . . . . 20 TYR CB . 27533 1 65 . 1 1 20 20 TYR N N 15 121.266 0.000 . 1 . . . . . 20 TYR N . 27533 1 66 . 1 1 21 21 GLN H H 1 8.104 0.003 . 1 . . . . . 21 GLN HN . 27533 1 67 . 1 1 21 21 GLN C C 13 177.077 0.000 . 1 . . . . . 21 GLN C . 27533 1 68 . 1 1 21 21 GLN CA C 13 55.439 0.000 . 1 . . . . . 21 GLN CA . 27533 1 69 . 1 1 21 21 GLN CB C 13 29.838 0.000 . 1 . . . . . 21 GLN CB . 27533 1 70 . 1 1 21 21 GLN N N 15 122.491 0.001 . 1 . . . . . 21 GLN N . 27533 1 71 . 1 1 22 22 GLU H H 1 8.394 0.005 . 1 . . . . . 22 GLU HN . 27533 1 72 . 1 1 22 22 GLU C C 13 178.197 0.000 . 1 . . . . . 22 GLU C . 27533 1 73 . 1 1 22 22 GLU CA C 13 56.581 0.000 . 1 . . . . . 22 GLU CA . 27533 1 74 . 1 1 22 22 GLU CB C 13 30.286 0.000 . 1 . . . . . 22 GLU CB . 27533 1 75 . 1 1 22 22 GLU N N 15 122.980 0.001 . 1 . . . . . 22 GLU N . 27533 1 76 . 1 1 23 23 VAL H H 1 8.224 0.007 . 1 . . . . . 23 VAL HN . 27533 1 77 . 1 1 23 23 VAL C C 13 177.908 0.000 . 1 . . . . . 23 VAL C . 27533 1 78 . 1 1 23 23 VAL CA C 13 62.041 0.000 . 1 . . . . . 23 VAL CA . 27533 1 79 . 1 1 23 23 VAL CB C 13 33.091 0.000 . 1 . . . . . 23 VAL CB . 27533 1 80 . 1 1 23 23 VAL N N 15 121.367 0.015 . 1 . . . . . 23 VAL N . 27533 1 81 . 1 1 24 24 GLU H H 1 8.534 0.006 . 1 . . . . . 24 GLU HN . 27533 1 82 . 1 1 24 24 GLU C C 13 178.335 0.000 . 1 . . . . . 24 GLU C . 27533 1 83 . 1 1 24 24 GLU CA C 13 56.390 0.000 . 1 . . . . . 24 GLU CA . 27533 1 84 . 1 1 24 24 GLU CB C 13 30.388 0.000 . 1 . . . . . 24 GLU CB . 27533 1 85 . 1 1 24 24 GLU N N 15 125.432 0.031 . 1 . . . . . 24 GLU N . 27533 1 86 . 1 1 25 25 GLU H H 1 8.518 0.006 . 1 . . . . . 25 GLU HN . 27533 1 87 . 1 1 25 25 GLU C C 13 178.064 0.000 . 1 . . . . . 25 GLU C . 27533 1 88 . 1 1 25 25 GLU CA C 13 56.599 0.000 . 1 . . . . . 25 GLU CA . 27533 1 89 . 1 1 25 25 GLU CB C 13 30.625 0.000 . 1 . . . . . 25 GLU CB . 27533 1 90 . 1 1 25 25 GLU N N 15 122.591 0.001 . 1 . . . . . 25 GLU N . 27533 1 91 . 1 1 28 28 ASP H H 1 8.478 0.006 . 1 . . . . . 28 ASP HN . 27533 1 92 . 1 1 28 28 ASP C C 13 177.034 0.000 . 1 . . . . . 28 ASP C . 27533 1 93 . 1 1 28 28 ASP CA C 13 51.998 0.000 . 1 . . . . . 28 ASP CA . 27533 1 94 . 1 1 28 28 ASP CB C 13 41.533 0.000 . 1 . . . . . 28 ASP CB . 27533 1 95 . 1 1 28 28 ASP N N 15 123.232 0.066 . 1 . . . . . 28 ASP N . 27533 1 96 . 1 1 30 30 SER H H 1 8.561 0.003 . 1 . . . . . 30 SER HN . 27533 1 97 . 1 1 30 30 SER C C 13 176.144 0.000 . 1 . . . . . 30 SER C . 27533 1 98 . 1 1 30 30 SER CA C 13 59.004 0.000 . 1 . . . . . 30 SER CA . 27533 1 99 . 1 1 30 30 SER CB C 13 63.707 0.000 . 1 . . . . . 30 SER CB . 27533 1 100 . 1 1 30 30 SER N N 15 115.246 0.016 . 1 . . . . . 30 SER N . 27533 1 101 . 1 1 31 31 CYS H H 1 8.009 0.003 . 1 . . . . . 31 CYS HN . 27533 1 102 . 1 1 31 31 CYS C C 13 174.376 0.000 . 1 . . . . . 31 CYS C . 27533 1 103 . 1 1 31 31 CYS CA C 13 56.623 0.000 . 1 . . . . . 31 CYS CA . 27533 1 104 . 1 1 31 31 CYS CB C 13 27.551 0.000 . 1 . . . . . 31 CYS CB . 27533 1 105 . 1 1 31 31 CYS N N 15 122.190 0.000 . 1 . . . . . 31 CYS N . 27533 1 106 . 1 1 33 33 ARG H H 1 8.443 0.005 . 1 . . . . . 33 ARG HN . 27533 1 107 . 1 1 33 33 ARG C C 13 178.280 0.000 . 1 . . . . . 33 ARG C . 27533 1 108 . 1 1 33 33 ARG CA C 13 56.248 0.000 . 1 . . . . . 33 ARG CA . 27533 1 109 . 1 1 33 33 ARG CB C 13 30.758 0.000 . 1 . . . . . 33 ARG CB . 27533 1 110 . 1 1 33 33 ARG N N 15 121.445 0.042 . 1 . . . . . 33 ARG N . 27533 1 111 . 1 1 34 34 LEU H H 1 8.304 0.006 . 1 . . . . . 34 LEU HN . 27533 1 112 . 1 1 34 34 LEU C C 13 179.192 0.000 . 1 . . . . . 34 LEU C . 27533 1 113 . 1 1 34 34 LEU CA C 13 55.091 0.000 . 1 . . . . . 34 LEU CA . 27533 1 114 . 1 1 34 34 LEU CB C 13 42.444 0.000 . 1 . . . . . 34 LEU CB . 27533 1 115 . 1 1 34 34 LEU N N 15 123.410 0.013 . 1 . . . . . 34 LEU N . 27533 1 116 . 1 1 35 35 SER H H 1 8.276 0.005 . 1 . . . . . 35 SER HN . 27533 1 117 . 1 1 35 35 SER C C 13 176.620 0.000 . 1 . . . . . 35 SER C . 27533 1 118 . 1 1 35 35 SER CA C 13 58.254 0.000 . 1 . . . . . 35 SER CA . 27533 1 119 . 1 1 35 35 SER CB C 13 63.724 0.000 . 1 . . . . . 35 SER CB . 27533 1 120 . 1 1 35 35 SER N N 15 116.703 0.007 . 1 . . . . . 35 SER N . 27533 1 121 . 1 1 36 36 ARG H H 1 8.411 0.006 . 1 . . . . . 36 ARG HN . 27533 1 122 . 1 1 36 36 ARG C C 13 178.236 0.000 . 1 . . . . . 36 ARG C . 27533 1 123 . 1 1 36 36 ARG CA C 13 56.588 0.000 . 1 . . . . . 36 ARG CA . 27533 1 124 . 1 1 36 36 ARG CB C 13 30.625 0.000 . 1 . . . . . 36 ARG CB . 27533 1 125 . 1 1 36 36 ARG N N 15 123.013 0.038 . 1 . . . . . 36 ARG N . 27533 1 126 . 1 1 38 38 LEU H H 1 8.176 0.005 . 1 . . . . . 38 LEU HN . 27533 1 127 . 1 1 38 38 LEU C C 13 179.160 0.000 . 1 . . . . . 38 LEU C . 27533 1 128 . 1 1 38 38 LEU CA C 13 55.218 0.000 . 1 . . . . . 38 LEU CA . 27533 1 129 . 1 1 38 38 LEU CB C 13 42.112 0.000 . 1 . . . . . 38 LEU CB . 27533 1 130 . 1 1 38 38 LEU N N 15 122.524 0.001 . 1 . . . . . 38 LEU N . 27533 1 131 . 1 1 39 39 LEU H H 1 8.131 0.004 . 1 . . . . . 39 LEU HN . 27533 1 132 . 1 1 39 39 LEU C C 13 178.921 0.000 . 1 . . . . . 39 LEU C . 27533 1 133 . 1 1 39 39 LEU CA C 13 55.171 0.000 . 1 . . . . . 39 LEU CA . 27533 1 134 . 1 1 39 39 LEU CB C 13 42.369 0.000 . 1 . . . . . 39 LEU CB . 27533 1 135 . 1 1 39 39 LEU N N 15 122.629 0.001 . 1 . . . . . 39 LEU N . 27533 1 136 . 1 1 41 41 GLU H H 1 8.254 0.002 . 1 . . . . . 41 GLU HN . 27533 1 137 . 1 1 41 41 GLU C C 13 178.073 0.000 . 1 . . . . . 41 GLU C . 27533 1 138 . 1 1 41 41 GLU CA C 13 56.433 0.000 . 1 . . . . . 41 GLU CA . 27533 1 139 . 1 1 41 41 GLU CB C 13 30.336 0.000 . 1 . . . . . 41 GLU CB . 27533 1 140 . 1 1 41 41 GLU N N 15 121.125 0.038 . 1 . . . . . 41 GLU N . 27533 1 141 . 1 1 42 42 LYS H H 1 8.277 0.005 . 1 . . . . . 42 LYS HN . 27533 1 142 . 1 1 42 42 LYS C C 13 178.231 0.000 . 1 . . . . . 42 LYS C . 27533 1 143 . 1 1 42 42 LYS CA C 13 56.043 0.000 . 1 . . . . . 42 LYS CA . 27533 1 144 . 1 1 42 42 LYS CB C 13 33.121 0.000 . 1 . . . . . 42 LYS CB . 27533 1 145 . 1 1 42 42 LYS N N 15 122.404 0.029 . 1 . . . . . 42 LYS N . 27533 1 146 . 1 1 43 43 GLU H H 1 8.488 0.007 . 1 . . . . . 43 GLU HN . 27533 1 147 . 1 1 43 43 GLU C C 13 176.386 0.000 . 1 . . . . . 43 GLU C . 27533 1 148 . 1 1 43 43 GLU CA C 13 54.644 0.000 . 1 . . . . . 43 GLU CA . 27533 1 149 . 1 1 43 43 GLU CB C 13 29.537 0.000 . 1 . . . . . 43 GLU CB . 27533 1 150 . 1 1 43 43 GLU N N 15 123.890 0.002 . 1 . . . . . 43 GLU N . 27533 1 151 . 1 1 45 45 GLU H H 1 8.518 0.005 . 1 . . . . . 45 GLU HN . 27533 1 152 . 1 1 45 45 GLU C C 13 178.334 0.000 . 1 . . . . . 45 GLU C . 27533 1 153 . 1 1 45 45 GLU CA C 13 56.602 0.000 . 1 . . . . . 45 GLU CA . 27533 1 154 . 1 1 45 45 GLU CB C 13 30.360 0.000 . 1 . . . . . 45 GLU CB . 27533 1 155 . 1 1 45 45 GLU N N 15 121.533 0.018 . 1 . . . . . 45 GLU N . 27533 1 156 . 1 1 46 46 VAL H H 1 8.229 0.007 . 1 . . . . . 46 VAL HN . 27533 1 157 . 1 1 46 46 VAL C C 13 177.880 0.000 . 1 . . . . . 46 VAL C . 27533 1 158 . 1 1 46 46 VAL CA C 13 62.267 0.000 . 1 . . . . . 46 VAL CA . 27533 1 159 . 1 1 46 46 VAL CB C 13 32.799 0.000 . 1 . . . . . 46 VAL CB . 27533 1 160 . 1 1 46 46 VAL N N 15 122.136 0.005 . 1 . . . . . 46 VAL N . 27533 1 161 . 1 1 47 47 LEU H H 1 8.389 0.007 . 1 . . . . . 47 LEU HN . 27533 1 162 . 1 1 47 47 LEU C C 13 179.226 0.000 . 1 . . . . . 47 LEU C . 27533 1 163 . 1 1 47 47 LEU CA C 13 54.992 0.000 . 1 . . . . . 47 LEU CA . 27533 1 164 . 1 1 47 47 LEU CB C 13 42.181 0.000 . 1 . . . . . 47 LEU CB . 27533 1 165 . 1 1 47 47 LEU N N 15 126.720 0.007 . 1 . . . . . 47 LEU N . 27533 1 166 . 1 1 48 48 GLN H H 1 8.446 0.006 . 1 . . . . . 48 GLN HN . 27533 1 167 . 1 1 48 48 GLN C C 13 177.648 0.000 . 1 . . . . . 48 GLN C . 27533 1 168 . 1 1 48 48 GLN CA C 13 56.064 0.000 . 1 . . . . . 48 GLN CA . 27533 1 169 . 1 1 48 48 GLN CB C 13 29.513 0.000 . 1 . . . . . 48 GLN CB . 27533 1 170 . 1 1 48 48 GLN N N 15 121.673 0.039 . 1 . . . . . 48 GLN N . 27533 1 171 . 1 1 49 49 ASP H H 1 8.397 0.005 . 1 . . . . . 49 ASP HN . 27533 1 172 . 1 1 49 49 ASP C C 13 178.234 0.000 . 1 . . . . . 49 ASP C . 27533 1 173 . 1 1 49 49 ASP CA C 13 54.651 0.000 . 1 . . . . . 49 ASP CA . 27533 1 174 . 1 1 49 49 ASP CB C 13 41.280 0.000 . 1 . . . . . 49 ASP CB . 27533 1 175 . 1 1 49 49 ASP N N 15 121.523 0.001 . 1 . . . . . 49 ASP N . 27533 1 176 . 1 1 50 50 SER H H 1 8.231 0.004 . 1 . . . . . 50 SER HN . 27533 1 177 . 1 1 50 50 SER C C 13 176.777 0.000 . 1 . . . . . 50 SER C . 27533 1 178 . 1 1 50 50 SER CA C 13 58.533 0.000 . 1 . . . . . 50 SER CA . 27533 1 179 . 1 1 50 50 SER CB C 13 63.701 0.000 . 1 . . . . . 50 SER CB . 27533 1 180 . 1 1 50 50 SER N N 15 115.757 0.005 . 1 . . . . . 50 SER N . 27533 1 181 . 1 1 51 51 LEU H H 1 8.282 0.004 . 1 . . . . . 51 LEU HN . 27533 1 182 . 1 1 51 51 LEU C C 13 179.215 0.000 . 1 . . . . . 51 LEU C . 27533 1 183 . 1 1 51 51 LEU CA C 13 55.609 0.000 . 1 . . . . . 51 LEU CA . 27533 1 184 . 1 1 51 51 LEU CB C 13 42.111 0.000 . 1 . . . . . 51 LEU CB . 27533 1 185 . 1 1 51 51 LEU N N 15 123.792 0.001 . 1 . . . . . 51 LEU N . 27533 1 186 . 1 1 52 52 ASP H H 1 8.269 0.003 . 1 . . . . . 52 ASP HN . 27533 1 187 . 1 1 52 52 ASP C C 13 178.212 0.000 . 1 . . . . . 52 ASP C . 27533 1 188 . 1 1 52 52 ASP CA C 13 54.621 0.000 . 1 . . . . . 52 ASP CA . 27533 1 189 . 1 1 52 52 ASP CB C 13 41.007 0.000 . 1 . . . . . 52 ASP CB . 27533 1 190 . 1 1 52 52 ASP N N 15 120.505 0.045 . 1 . . . . . 52 ASP N . 27533 1 191 . 1 1 53 53 ARG H H 1 8.106 0.006 . 1 . . . . . 53 ARG HN . 27533 1 192 . 1 1 53 53 ARG C C 13 177.965 0.000 . 1 . . . . . 53 ARG C . 27533 1 193 . 1 1 53 53 ARG CA C 13 56.094 0.000 . 1 . . . . . 53 ARG CA . 27533 1 194 . 1 1 53 53 ARG CB C 13 30.627 0.000 . 1 . . . . . 53 ARG CB . 27533 1 195 . 1 1 53 53 ARG N N 15 120.956 0.002 . 1 . . . . . 53 ARG N . 27533 1 196 . 1 1 54 54 CYS H H 1 8.306 0.006 . 1 . . . . . 54 CYS HN . 27533 1 197 . 1 1 54 54 CYS C C 13 176.264 0.000 . 1 . . . . . 54 CYS C . 27533 1 198 . 1 1 54 54 CYS CA C 13 58.738 0.000 . 1 . . . . . 54 CYS CA . 27533 1 199 . 1 1 54 54 CYS CB C 13 27.850 0.000 . 1 . . . . . 54 CYS CB . 27533 1 200 . 1 1 54 54 CYS N N 15 119.789 0.020 . 1 . . . . . 54 CYS N . 27533 1 201 . 1 1 55 55 TYR H H 1 8.246 0.007 . 1 . . . . . 55 TYR HN . 27533 1 202 . 1 1 55 55 TYR C C 13 177.495 0.000 . 1 . . . . . 55 TYR C . 27533 1 203 . 1 1 55 55 TYR CA C 13 57.955 0.000 . 1 . . . . . 55 TYR CA . 27533 1 204 . 1 1 55 55 TYR CB C 13 38.842 0.000 . 1 . . . . . 55 TYR CB . 27533 1 205 . 1 1 55 55 TYR N N 15 122.588 0.015 . 1 . . . . . 55 TYR N . 27533 1 206 . 1 1 56 56 SER H H 1 8.195 0.003 . 1 . . . . . 56 SER HN . 27533 1 207 . 1 1 56 56 SER C C 13 175.747 0.000 . 1 . . . . . 56 SER C . 27533 1 208 . 1 1 56 56 SER CA C 13 57.966 0.000 . 1 . . . . . 56 SER CA . 27533 1 209 . 1 1 56 56 SER CB C 13 64.049 0.000 . 1 . . . . . 56 SER CB . 27533 1 210 . 1 1 56 56 SER N N 15 117.478 0.029 . 1 . . . . . 56 SER N . 27533 1 211 . 1 1 57 57 THR H H 1 8.245 0.005 . 1 . . . . . 57 THR HN . 27533 1 212 . 1 1 57 57 THR C C 13 174.867 0.000 . 1 . . . . . 57 THR C . 27533 1 213 . 1 1 57 57 THR CA C 13 59.801 0.000 . 1 . . . . . 57 THR CA . 27533 1 214 . 1 1 57 57 THR CB C 13 69.738 0.000 . 1 . . . . . 57 THR CB . 27533 1 215 . 1 1 57 57 THR N N 15 118.218 0.011 . 1 . . . . . 57 THR N . 27533 1 216 . 1 1 59 59 SER H H 1 8.390 0.006 . 1 . . . . . 59 SER HN . 27533 1 217 . 1 1 59 59 SER C C 13 176.377 0.000 . 1 . . . . . 59 SER C . 27533 1 218 . 1 1 59 59 SER CA C 13 58.805 0.000 . 1 . . . . . 59 SER CA . 27533 1 219 . 1 1 59 59 SER CB C 13 63.590 0.000 . 1 . . . . . 59 SER CB . 27533 1 220 . 1 1 59 59 SER N N 15 115.595 0.002 . 1 . . . . . 59 SER N . 27533 1 221 . 1 1 60 60 ASP H H 1 8.267 0.004 . 1 . . . . . 60 ASP HN . 27533 1 222 . 1 1 60 60 ASP C C 13 177.821 0.000 . 1 . . . . . 60 ASP C . 27533 1 223 . 1 1 60 60 ASP CA C 13 54.663 0.000 . 1 . . . . . 60 ASP CA . 27533 1 224 . 1 1 60 60 ASP CB C 13 41.004 0.000 . 1 . . . . . 60 ASP CB . 27533 1 225 . 1 1 60 60 ASP N N 15 121.757 0.000 . 1 . . . . . 60 ASP N . 27533 1 226 . 1 1 61 61 TYR H H 1 7.931 0.004 . 1 . . . . . 61 TYR HN . 27533 1 227 . 1 1 61 61 TYR C C 13 177.237 0.000 . 1 . . . . . 61 TYR C . 27533 1 228 . 1 1 61 61 TYR CA C 13 57.966 0.000 . 1 . . . . . 61 TYR CA . 27533 1 229 . 1 1 61 61 TYR CB C 13 38.591 0.000 . 1 . . . . . 61 TYR CB . 27533 1 230 . 1 1 61 61 TYR N N 15 119.509 0.000 . 1 . . . . . 61 TYR N . 27533 1 231 . 1 1 62 62 LEU H H 1 7.896 0.004 . 1 . . . . . 62 LEU HN . 27533 1 232 . 1 1 62 62 LEU C C 13 178.374 0.000 . 1 . . . . . 62 LEU C . 27533 1 233 . 1 1 62 62 LEU CA C 13 54.967 0.000 . 1 . . . . . 62 LEU CA . 27533 1 234 . 1 1 62 62 LEU CB C 13 42.655 0.000 . 1 . . . . . 62 LEU CB . 27533 1 235 . 1 1 62 62 LEU N N 15 123.921 0.052 . 1 . . . . . 62 LEU N . 27533 1 236 . 1 1 63 63 GLU H H 1 8.175 0.004 . 1 . . . . . 63 GLU HN . 27533 1 237 . 1 1 63 63 GLU C C 13 177.706 0.000 . 1 . . . . . 63 GLU C . 27533 1 238 . 1 1 63 63 GLU CA C 13 56.043 0.000 . 1 . . . . . 63 GLU CA . 27533 1 239 . 1 1 63 63 GLU CB C 13 30.331 0.000 . 1 . . . . . 63 GLU CB . 27533 1 240 . 1 1 63 63 GLU N N 15 121.594 0.049 . 1 . . . . . 63 GLU N . 27533 1 241 . 1 1 64 64 LEU H H 1 8.200 0.006 . 1 . . . . . 64 LEU HN . 27533 1 242 . 1 1 64 64 LEU C C 13 177.118 0.000 . 1 . . . . . 64 LEU C . 27533 1 243 . 1 1 64 64 LEU CA C 13 52.987 0.000 . 1 . . . . . 64 LEU CA . 27533 1 244 . 1 1 64 64 LEU CB C 13 41.811 0.000 . 1 . . . . . 64 LEU CB . 27533 1 245 . 1 1 64 64 LEU N N 15 124.788 0.000 . 1 . . . . . 64 LEU N . 27533 1 246 . 1 1 66 66 ASP H H 1 8.372 0.006 . 1 . . . . . 66 ASP HN . 27533 1 247 . 1 1 66 66 ASP C C 13 178.315 0.002 . 1 . . . . . 66 ASP C . 27533 1 248 . 1 1 66 66 ASP CA C 13 54.147 0.000 . 1 . . . . . 66 ASP CA . 27533 1 249 . 1 1 66 66 ASP CB C 13 41.030 0.000 . 1 . . . . . 66 ASP CB . 27533 1 250 . 1 1 66 66 ASP N N 15 119.799 0.092 . 1 . . . . . 66 ASP N . 27533 1 251 . 1 1 67 67 LEU H H 1 8.268 0.008 . 1 . . . . . 67 LEU HN . 27533 1 252 . 1 1 67 67 LEU C C 13 179.903 0.000 . 1 . . . . . 67 LEU C . 27533 1 253 . 1 1 67 67 LEU CA C 13 55.267 0.000 . 1 . . . . . 67 LEU CA . 27533 1 254 . 1 1 67 67 LEU CB C 13 42.079 0.000 . 1 . . . . . 67 LEU CB . 27533 1 255 . 1 1 67 67 LEU N N 15 123.324 0.003 . 1 . . . . . 67 LEU N . 27533 1 256 . 1 1 68 68 GLY H H 1 8.470 0.005 . 1 . . . . . 68 GLY HN . 27533 1 257 . 1 1 68 68 GLY C C 13 175.745 0.000 . 1 . . . . . 68 GLY C . 27533 1 258 . 1 1 68 68 GLY CA C 13 45.297 0.000 . 1 . . . . . 68 GLY CA . 27533 1 259 . 1 1 68 68 GLY N N 15 108.914 0.033 . 1 . . . . . 68 GLY N . 27533 1 260 . 1 1 69 69 GLN H H 1 8.075 0.005 . 1 . . . . . 69 GLN HN . 27533 1 261 . 1 1 69 69 GLN C C 13 175.974 0.000 . 1 . . . . . 69 GLN C . 27533 1 262 . 1 1 69 69 GLN CA C 13 53.580 0.000 . 1 . . . . . 69 GLN CA . 27533 1 263 . 1 1 69 69 GLN CB C 13 28.979 0.000 . 1 . . . . . 69 GLN CB . 27533 1 264 . 1 1 69 69 GLN N N 15 120.283 0.001 . 1 . . . . . 69 GLN N . 27533 1 265 . 1 1 71 71 TYR H H 1 8.184 0.007 . 1 . . . . . 71 TYR HN . 27533 1 266 . 1 1 71 71 TYR C C 13 177.732 0.000 . 1 . . . . . 71 TYR C . 27533 1 267 . 1 1 71 71 TYR CA C 13 57.963 0.004 . 1 . . . . . 71 TYR CA . 27533 1 268 . 1 1 71 71 TYR CB C 13 38.608 0.012 . 1 . . . . . 71 TYR CB . 27533 1 269 . 1 1 71 71 TYR N N 15 119.841 0.072 . 1 . . . . . 71 TYR N . 27533 1 270 . 1 1 72 72 SER H H 1 8.093 0.003 . 1 . . . . . 72 SER HN . 27533 1 271 . 1 1 72 72 SER C C 13 176.200 0.000 . 1 . . . . . 72 SER C . 27533 1 272 . 1 1 72 72 SER CA C 13 57.988 0.000 . 1 . . . . . 72 SER CA . 27533 1 273 . 1 1 72 72 SER CB C 13 63.988 0.000 . 1 . . . . . 72 SER CB . 27533 1 274 . 1 1 72 72 SER N N 15 117.272 0.002 . 1 . . . . . 72 SER N . 27533 1 275 . 1 1 73 73 SER H H 1 8.301 0.001 . 1 . . . . . 73 SER HN . 27533 1 276 . 1 1 73 73 SER C C 13 176.118 0.000 . 1 . . . . . 73 SER C . 27533 1 277 . 1 1 73 73 SER CA C 13 58.442 0.000 . 1 . . . . . 73 SER CA . 27533 1 278 . 1 1 73 73 SER CB C 13 63.806 0.000 . 1 . . . . . 73 SER CB . 27533 1 279 . 1 1 73 73 SER N N 15 117.849 0.000 . 1 . . . . . 73 SER N . 27533 1 280 . 1 1 74 74 ALA H H 1 8.231 0.004 . 1 . . . . . 74 ALA HN . 27533 1 281 . 1 1 74 74 ALA C C 13 179.362 0.000 . 1 . . . . . 74 ALA C . 27533 1 282 . 1 1 74 74 ALA CA C 13 52.766 0.000 . 1 . . . . . 74 ALA CA . 27533 1 283 . 1 1 74 74 ALA CB C 13 19.252 0.000 . 1 . . . . . 74 ALA CB . 27533 1 284 . 1 1 74 74 ALA N N 15 125.820 0.007 . 1 . . . . . 74 ALA N . 27533 1 285 . 1 1 75 75 VAL H H 1 7.904 0.006 . 1 . . . . . 75 VAL HN . 27533 1 286 . 1 1 75 75 VAL C C 13 177.684 0.000 . 1 . . . . . 75 VAL C . 27533 1 287 . 1 1 75 75 VAL CA C 13 62.374 0.000 . 1 . . . . . 75 VAL CA . 27533 1 288 . 1 1 75 75 VAL CB C 13 32.792 0.000 . 1 . . . . . 75 VAL CB . 27533 1 289 . 1 1 75 75 VAL N N 15 118.376 0.011 . 1 . . . . . 75 VAL N . 27533 1 290 . 1 1 76 76 TYR H H 1 8.101 0.007 . 1 . . . . . 76 TYR HN . 27533 1 291 . 1 1 76 76 TYR C C 13 177.605 0.000 . 1 . . . . . 76 TYR C . 27533 1 292 . 1 1 76 76 TYR CA C 13 57.681 0.000 . 1 . . . . . 76 TYR CA . 27533 1 293 . 1 1 76 76 TYR CB C 13 39.078 0.000 . 1 . . . . . 76 TYR CB . 27533 1 294 . 1 1 76 76 TYR N N 15 123.223 0.052 . 1 . . . . . 76 TYR N . 27533 1 295 . 1 1 77 77 SER H H 1 8.268 0.006 . 1 . . . . . 77 SER HN . 27533 1 296 . 1 1 77 77 SER C C 13 176.377 0.000 . 1 . . . . . 77 SER C . 27533 1 297 . 1 1 77 77 SER CA C 13 57.873 0.000 . 1 . . . . . 77 SER CA . 27533 1 298 . 1 1 77 77 SER CB C 13 63.990 0.000 . 1 . . . . . 77 SER CB . 27533 1 299 . 1 1 77 77 SER N N 15 117.641 0.049 . 1 . . . . . 77 SER N . 27533 1 300 . 1 1 78 78 LEU H H 1 8.332 0.007 . 1 . . . . . 78 LEU HN . 27533 1 301 . 1 1 78 78 LEU C C 13 179.700 0.000 . 1 . . . . . 78 LEU C . 27533 1 302 . 1 1 78 78 LEU CA C 13 55.984 0.000 . 1 . . . . . 78 LEU CA . 27533 1 303 . 1 1 78 78 LEU CB C 13 42.182 0.000 . 1 . . . . . 78 LEU CB . 27533 1 304 . 1 1 78 78 LEU N N 15 124.407 0.002 . 1 . . . . . 78 LEU N . 27533 1 305 . 1 1 79 79 GLU H H 1 8.399 0.003 . 1 . . . . . 79 GLU HN . 27533 1 306 . 1 1 79 79 GLU C C 13 179.088 0.000 . 1 . . . . . 79 GLU C . 27533 1 307 . 1 1 79 79 GLU CA C 13 57.676 0.000 . 1 . . . . . 79 GLU CA . 27533 1 308 . 1 1 79 79 GLU CB C 13 30.056 0.000 . 1 . . . . . 79 GLU CB . 27533 1 309 . 1 1 79 79 GLU N N 15 120.184 0.032 . 1 . . . . . 79 GLU N . 27533 1 310 . 1 1 81 81 GLN H H 1 8.241 0.005 . 1 . . . . . 81 GLN HN . 27533 1 311 . 1 1 81 81 GLN C C 13 178.145 0.000 . 1 . . . . . 81 GLN C . 27533 1 312 . 1 1 81 81 GLN CA C 13 56.645 0.000 . 1 . . . . . 81 GLN CA . 27533 1 313 . 1 1 81 81 GLN CB C 13 29.212 0.000 . 1 . . . . . 81 GLN CB . 27533 1 314 . 1 1 81 81 GLN N N 15 119.877 0.017 . 1 . . . . . 81 GLN N . 27533 1 315 . 1 1 82 82 TYR H H 1 8.164 0.005 . 1 . . . . . 82 TYR HN . 27533 1 316 . 1 1 82 82 TYR C C 13 178.085 0.000 . 1 . . . . . 82 TYR C . 27533 1 317 . 1 1 82 82 TYR CA C 13 58.188 0.000 . 1 . . . . . 82 TYR CA . 27533 1 318 . 1 1 82 82 TYR CB C 13 38.292 0.000 . 1 . . . . . 82 TYR CB . 27533 1 319 . 1 1 82 82 TYR N N 15 120.357 0.009 . 1 . . . . . 82 TYR N . 27533 1 320 . 1 1 83 83 LEU H H 1 8.045 0.004 . 1 . . . . . 83 LEU HN . 27533 1 321 . 1 1 83 83 LEU C C 13 179.716 0.000 . 1 . . . . . 83 LEU C . 27533 1 322 . 1 1 83 83 LEU CA C 13 55.574 0.000 . 1 . . . . . 83 LEU CA . 27533 1 323 . 1 1 83 83 LEU CB C 13 42.235 0.000 . 1 . . . . . 83 LEU CB . 27533 1 324 . 1 1 83 83 LEU N N 15 123.178 0.000 . 1 . . . . . 83 LEU N . 27533 1 325 . 1 1 84 84 GLY H H 1 7.892 0.001 . 1 . . . . . 84 GLY HN . 27533 1 326 . 1 1 84 84 GLY C C 13 176.024 0.000 . 1 . . . . . 84 GLY C . 27533 1 327 . 1 1 84 84 GLY CA C 13 45.582 0.000 . 1 . . . . . 84 GLY CA . 27533 1 328 . 1 1 84 84 GLY N N 15 108.171 0.034 . 1 . . . . . 84 GLY N . 27533 1 329 . 1 1 85 85 LEU H H 1 7.906 0.004 . 1 . . . . . 85 LEU HN . 27533 1 330 . 1 1 85 85 LEU C C 13 178.957 0.000 . 1 . . . . . 85 LEU C . 27533 1 331 . 1 1 85 85 LEU CA C 13 55.208 0.000 . 1 . . . . . 85 LEU CA . 27533 1 332 . 1 1 85 85 LEU CB C 13 42.539 0.000 . 1 . . . . . 85 LEU CB . 27533 1 333 . 1 1 85 85 LEU N N 15 121.191 0.001 . 1 . . . . . 85 LEU N . 27533 1 334 . 1 1 86 86 ALA H H 1 8.226 0.000 . 1 . . . . . 86 ALA HN . 27533 1 335 . 1 1 86 86 ALA C C 13 179.362 0.000 . 1 . . . . . 86 ALA C . 27533 1 336 . 1 1 86 86 ALA CA C 13 52.498 0.000 . 1 . . . . . 86 ALA CA . 27533 1 337 . 1 1 86 86 ALA CB C 13 18.908 0.000 . 1 . . . . . 86 ALA CB . 27533 1 338 . 1 1 86 86 ALA N N 15 124.328 0.000 . 1 . . . . . 86 ALA N . 27533 1 339 . 1 1 87 87 LEU H H 1 8.107 0.005 . 1 . . . . . 87 LEU HN . 27533 1 340 . 1 1 87 87 LEU C C 13 179.036 0.000 . 1 . . . . . 87 LEU C . 27533 1 341 . 1 1 87 87 LEU CA C 13 55.176 0.000 . 1 . . . . . 87 LEU CA . 27533 1 342 . 1 1 87 87 LEU CB C 13 42.619 0.000 . 1 . . . . . 87 LEU CB . 27533 1 343 . 1 1 87 87 LEU N N 15 120.873 0.055 . 1 . . . . . 87 LEU N . 27533 1 344 . 1 1 88 88 ASP H H 1 8.312 0.004 . 1 . . . . . 88 ASP HN . 27533 1 345 . 1 1 88 88 ASP C C 13 178.584 0.000 . 1 . . . . . 88 ASP C . 27533 1 346 . 1 1 88 88 ASP CA C 13 54.160 0.000 . 1 . . . . . 88 ASP CA . 27533 1 347 . 1 1 88 88 ASP CB C 13 40.955 0.000 . 1 . . . . . 88 ASP CB . 27533 1 348 . 1 1 88 88 ASP N N 15 121.314 0.000 . 1 . . . . . 88 ASP N . 27533 1 349 . 1 1 89 89 VAL H H 1 7.988 0.005 . 1 . . . . . 89 VAL HN . 27533 1 350 . 1 1 89 89 VAL C C 13 178.291 0.000 . 1 . . . . . 89 VAL C . 27533 1 351 . 1 1 89 89 VAL CA C 13 63.440 0.000 . 1 . . . . . 89 VAL CA . 27533 1 352 . 1 1 89 89 VAL CB C 13 32.354 0.000 . 1 . . . . . 89 VAL CB . 27533 1 353 . 1 1 89 89 VAL N N 15 119.480 0.001 . 1 . . . . . 89 VAL N . 27533 1 354 . 1 1 90 90 ASP H H 1 8.294 0.002 . 1 . . . . . 90 ASP HN . 27533 1 355 . 1 1 90 90 ASP C C 13 178.646 0.000 . 1 . . . . . 90 ASP C . 27533 1 356 . 1 1 90 90 ASP CA C 13 55.234 0.011 . 1 . . . . . 90 ASP CA . 27533 1 357 . 1 1 90 90 ASP CB C 13 41.004 0.004 . 1 . . . . . 90 ASP CB . 27533 1 358 . 1 1 90 90 ASP N N 15 121.822 0.084 . 1 . . . . . 90 ASP N . 27533 1 359 . 1 1 92 92 ILE H H 1 7.971 0.004 . 1 . . . . . 92 ILE HN . 27533 1 360 . 1 1 92 92 ILE C C 13 178.614 0.000 . 1 . . . . . 92 ILE C . 27533 1 361 . 1 1 92 92 ILE CA C 13 62.076 0.000 . 1 . . . . . 92 ILE CA . 27533 1 362 . 1 1 92 92 ILE CB C 13 38.293 0.000 . 1 . . . . . 92 ILE CB . 27533 1 363 . 1 1 92 92 ILE N N 15 120.668 0.002 . 1 . . . . . 92 ILE N . 27533 1 364 . 1 1 93 93 LYS H H 1 8.213 0.002 . 1 . . . . . 93 LYS HN . 27533 1 365 . 1 1 93 93 LYS C C 13 178.998 0.000 . 1 . . . . . 93 LYS C . 27533 1 366 . 1 1 93 93 LYS CA C 13 57.128 0.000 . 1 . . . . . 93 LYS CA . 27533 1 367 . 1 1 93 93 LYS CB C 13 32.812 0.000 . 1 . . . . . 93 LYS CB . 27533 1 368 . 1 1 93 93 LYS N N 15 124.321 0.002 . 1 . . . . . 93 LYS N . 27533 1 369 . 1 1 95 95 ASP H H 1 8.437 0.004 . 1 . . . . . 95 ASP HN . 27533 1 370 . 1 1 95 95 ASP C C 13 178.301 0.000 . 1 . . . . . 95 ASP C . 27533 1 371 . 1 1 95 95 ASP CA C 13 54.977 0.000 . 1 . . . . . 95 ASP CA . 27533 1 372 . 1 1 95 95 ASP CB C 13 41.201 0.000 . 1 . . . . . 95 ASP CB . 27533 1 373 . 1 1 95 95 ASP N N 15 121.183 0.006 . 1 . . . . . 95 ASP N . 27533 1 374 . 1 1 97 97 GLU H H 1 8.158 0.014 . 1 . . . . . 97 GLU HN . 27533 1 375 . 1 1 97 97 GLU C C 13 181.067 0.000 . 1 . . . . . 97 GLU C . 27533 1 376 . 1 1 97 97 GLU CA C 13 57.248 0.000 . 1 . . . . . 97 GLU CA . 27533 1 377 . 1 1 97 97 GLU CB C 13 30.351 0.000 . 1 . . . . . 97 GLU CB . 27533 1 378 . 1 1 97 97 GLU N N 15 125.498 0.006 . 1 . . . . . 97 GLU N . 27533 1 379 . 1 1 99 99 LEU H H 1 8.071 0.002 . 1 . . . . . 99 LEU HN . 27533 1 380 . 1 1 99 99 LEU C C 13 179.720 0.000 . 1 . . . . . 99 LEU C . 27533 1 381 . 1 1 99 99 LEU CA C 13 55.765 0.000 . 1 . . . . . 99 LEU CA . 27533 1 382 . 1 1 99 99 LEU CB C 13 42.393 0.000 . 1 . . . . . 99 LEU CB . 27533 1 383 . 1 1 99 99 LEU N N 15 122.117 0.003 . 1 . . . . . 99 LEU N . 27533 1 stop_ save_