data_27911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27911 _Entry.Title ; 1H, 13C and 15N NMR chemical shift assignments of cAMP-regulated phosphoprotein-19 and -16 (ARPP19 and ARPP16) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-15 _Entry.Accession_date 2019-05-15 _Entry.Last_release_date 2019-05-15 _Entry.Original_release_date 2019-05-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 . _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 Chandan Thapa . J. . . 27911 2 Ulla Pentikainen . . . . 27911 3 Perttu Permi . . . . 27911 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Ulla group, University of Jyvaskyla' . 27911 2 . 'Perttu group, University of Jyvaskyla' . 27911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 27911 '15N chemical shifts' 96 27911 '1H chemical shifts' 185 27911 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-09-28 . original BMRB . 27911 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27912 ARPP19 27911 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27911 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32468417 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N NMR chemical shift assignments of cAMP-regulated phosphoprotein-19 and -16 (ARPP19 and ARPP16) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 227 _Citation.Page_last 231 _Citation.Year 2020 _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 Chandan Thapa C. J. . . 27911 1 2 Tatu Haataja T. . . . 27911 1 3 Ulla Pentikainen U. . . . 27911 1 4 Perttu Permi P. . . . 27911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27911 _Assembly.ID 1 _Assembly.Name ARPP-16 _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 10722.26 _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 ARPP-16 1 $ARPP-16 A . yes 'intrinsically disordered' yes no . . . 27911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARPP-16 _Entity.Sf_category entity _Entity.Sf_framecode ARPP-16 _Entity.Entry_ID 27911 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ARPP-16 _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 ; SMEDKVTSPEKAEEAKLKAR YPHLGQKPGGSDFLRKRLQK GQKYFDSGDYNMAKAKMKNK QLPTAAPDKTEVTGDHIPTP QDLPQRKPSLVASKLAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 represent cloning artifact. Residue remained after TEV protease cleavage' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'cAMP-regulated Phosphoprotein-16' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10722.26 _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 'Protein phosphatase 2A inhibitor, regulator of mitotic cell cycle.' 27911 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 0 SER . 27911 1 2 1 MET . 27911 1 3 2 GLU . 27911 1 4 3 ASP . 27911 1 5 4 LYS . 27911 1 6 5 VAL . 27911 1 7 6 THR . 27911 1 8 7 SER . 27911 1 9 8 PRO . 27911 1 10 9 GLU . 27911 1 11 10 LYS . 27911 1 12 11 ALA . 27911 1 13 12 GLU . 27911 1 14 13 GLU . 27911 1 15 14 ALA . 27911 1 16 15 LYS . 27911 1 17 16 LEU . 27911 1 18 17 LYS . 27911 1 19 18 ALA . 27911 1 20 19 ARG . 27911 1 21 20 TYR . 27911 1 22 21 PRO . 27911 1 23 22 HIS . 27911 1 24 23 LEU . 27911 1 25 24 GLY . 27911 1 26 25 GLN . 27911 1 27 26 LYS . 27911 1 28 27 PRO . 27911 1 29 28 GLY . 27911 1 30 29 GLY . 27911 1 31 30 SER . 27911 1 32 31 ASP . 27911 1 33 32 PHE . 27911 1 34 33 LEU . 27911 1 35 34 ARG . 27911 1 36 35 LYS . 27911 1 37 36 ARG . 27911 1 38 37 LEU . 27911 1 39 38 GLN . 27911 1 40 39 LYS . 27911 1 41 40 GLY . 27911 1 42 41 GLN . 27911 1 43 42 LYS . 27911 1 44 43 TYR . 27911 1 45 44 PHE . 27911 1 46 45 ASP . 27911 1 47 46 SER . 27911 1 48 47 GLY . 27911 1 49 48 ASP . 27911 1 50 49 TYR . 27911 1 51 50 ASN . 27911 1 52 51 MET . 27911 1 53 52 ALA . 27911 1 54 53 LYS . 27911 1 55 54 ALA . 27911 1 56 55 LYS . 27911 1 57 56 MET . 27911 1 58 57 LYS . 27911 1 59 58 ASN . 27911 1 60 59 LYS . 27911 1 61 60 GLN . 27911 1 62 61 LEU . 27911 1 63 62 PRO . 27911 1 64 63 THR . 27911 1 65 64 ALA . 27911 1 66 65 ALA . 27911 1 67 66 PRO . 27911 1 68 67 ASP . 27911 1 69 68 LYS . 27911 1 70 69 THR . 27911 1 71 70 GLU . 27911 1 72 71 VAL . 27911 1 73 72 THR . 27911 1 74 73 GLY . 27911 1 75 74 ASP . 27911 1 76 75 HIS . 27911 1 77 76 ILE . 27911 1 78 77 PRO . 27911 1 79 78 THR . 27911 1 80 79 PRO . 27911 1 81 80 GLN . 27911 1 82 81 ASP . 27911 1 83 82 LEU . 27911 1 84 83 PRO . 27911 1 85 84 GLN . 27911 1 86 85 ARG . 27911 1 87 86 LYS . 27911 1 88 87 PRO . 27911 1 89 88 SER . 27911 1 90 89 LEU . 27911 1 91 90 VAL . 27911 1 92 91 ALA . 27911 1 93 92 SER . 27911 1 94 93 LYS . 27911 1 95 94 LEU . 27911 1 96 95 ALA . 27911 1 97 96 GLY . 27911 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 27911 1 . MET 2 2 27911 1 . GLU 3 3 27911 1 . ASP 4 4 27911 1 . LYS 5 5 27911 1 . VAL 6 6 27911 1 . THR 7 7 27911 1 . SER 8 8 27911 1 . PRO 9 9 27911 1 . GLU 10 10 27911 1 . LYS 11 11 27911 1 . ALA 12 12 27911 1 . GLU 13 13 27911 1 . GLU 14 14 27911 1 . ALA 15 15 27911 1 . LYS 16 16 27911 1 . LEU 17 17 27911 1 . LYS 18 18 27911 1 . ALA 19 19 27911 1 . ARG 20 20 27911 1 . TYR 21 21 27911 1 . PRO 22 22 27911 1 . HIS 23 23 27911 1 . LEU 24 24 27911 1 . GLY 25 25 27911 1 . GLN 26 26 27911 1 . LYS 27 27 27911 1 . PRO 28 28 27911 1 . GLY 29 29 27911 1 . GLY 30 30 27911 1 . SER 31 31 27911 1 . ASP 32 32 27911 1 . PHE 33 33 27911 1 . LEU 34 34 27911 1 . ARG 35 35 27911 1 . LYS 36 36 27911 1 . ARG 37 37 27911 1 . LEU 38 38 27911 1 . GLN 39 39 27911 1 . LYS 40 40 27911 1 . GLY 41 41 27911 1 . GLN 42 42 27911 1 . LYS 43 43 27911 1 . TYR 44 44 27911 1 . PHE 45 45 27911 1 . ASP 46 46 27911 1 . SER 47 47 27911 1 . GLY 48 48 27911 1 . ASP 49 49 27911 1 . TYR 50 50 27911 1 . ASN 51 51 27911 1 . MET 52 52 27911 1 . ALA 53 53 27911 1 . LYS 54 54 27911 1 . ALA 55 55 27911 1 . LYS 56 56 27911 1 . MET 57 57 27911 1 . LYS 58 58 27911 1 . ASN 59 59 27911 1 . LYS 60 60 27911 1 . GLN 61 61 27911 1 . LEU 62 62 27911 1 . PRO 63 63 27911 1 . THR 64 64 27911 1 . ALA 65 65 27911 1 . ALA 66 66 27911 1 . PRO 67 67 27911 1 . ASP 68 68 27911 1 . LYS 69 69 27911 1 . THR 70 70 27911 1 . GLU 71 71 27911 1 . VAL 72 72 27911 1 . THR 73 73 27911 1 . GLY 74 74 27911 1 . ASP 75 75 27911 1 . HIS 76 76 27911 1 . ILE 77 77 27911 1 . PRO 78 78 27911 1 . THR 79 79 27911 1 . PRO 80 80 27911 1 . GLN 81 81 27911 1 . ASP 82 82 27911 1 . LEU 83 83 27911 1 . PRO 84 84 27911 1 . GLN 85 85 27911 1 . ARG 86 86 27911 1 . LYS 87 87 27911 1 . PRO 88 88 27911 1 . SER 89 89 27911 1 . LEU 90 90 27911 1 . VAL 91 91 27911 1 . ALA 92 92 27911 1 . SER 93 93 27911 1 . LYS 94 94 27911 1 . LEU 95 95 27911 1 . ALA 96 96 27911 1 . GLY 97 97 27911 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 27911 _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 $ARPP-16 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ARPP19 . 27911 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 27911 _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 $ARPP-16 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-Gold . . . . . pGTvL1-SGC . . . 27911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27911 _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 ARPP-16 '[U-98% 15N]' . . 1 $ARPP-16 . . 0.4 . . mM . . . . 27911 1 2 NaH2PO4 'natural abundance' . . . . . . 50 . . mM . . . . 27911 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27911 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 ARPP-16 '[U-98% 13C; U-98% 15N]' . . 1 $ARPP-16 . . 0.4 . . mM . . . . 27911 2 2 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 27911 2 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 27911 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details ; 50 mM of NaH2PO4 100 mM of KCl ; 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' 150 . mM 27911 1 pH 6.5 . pH 27911 1 pressure 1 . atm 27911 1 temperature 298 . K 27911 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27911 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details 'NMRFAM-SPARKY 1.2 powered by Sparky 3.115' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27911 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27911 1 . 'peak picking' 27911 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance III HD 800 MHz spectrometer equipped with 5-mm 1H, 13C, 15N triple resonance TCI 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 27911 _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 Bruker Avance . 800 'Bruker Avance III HD 800 MHz spectrometer equipped with 5-mm 1H, 13C, 15N triple resonance TCI CryoProbe' . . 27911 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 27911 _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 . . . . . . . . . . . . . . . . 27911 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 5 '3D i(HCA)CO(CA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 6 '3D iHA(CA)NCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 7 '3D HA(CA)CON' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 1 8 '3D HA(CA)CON(CA)HA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27911 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 27911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27911 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27911 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27911 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 27911 _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' . . . 27911 1 2 '3D HNCACB' . . . 27911 1 3 '3D CBCA(CO)NH' . . . 27911 1 4 '3D HNCO' . . . 27911 1 5 '3D i(HCA)CO(CA)NH' . . . 27911 1 6 '3D iHA(CA)NCO' . . . 27911 1 7 '3D HA(CA)CON' . . . 27911 1 8 '3D HA(CA)CON(CA)HA' . . . 27911 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 $SPARKY . . 27911 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 MET HA H 1 4.327 0.000 . 1 . . . . . 1 MET HA . 27911 1 2 . 1 . 1 2 2 MET C C 13 176.257 0.002 . 1 . . . . . 1 MET C . 27911 1 3 . 1 . 1 2 2 MET CA C 13 55.977 0.002 . 1 . . . . . 1 MET CA . 27911 1 4 . 1 . 1 2 2 MET CB C 13 32.376 0.012 . 1 . . . . . 1 MET CB . 27911 1 5 . 1 . 1 2 2 MET N N 15 121.178 0.000 . 1 . . . . . 1 MET N . 27911 1 6 . 1 . 1 3 3 GLU H H 1 8.421 0.001 . 1 . . . . . 2 GLU H . 27911 1 7 . 1 . 1 3 3 GLU HA H 1 4.092 0.001 . 1 . . . . . 2 GLU HA . 27911 1 8 . 1 . 1 3 3 GLU C C 13 176.111 0.002 . 1 . . . . . 2 GLU C . 27911 1 9 . 1 . 1 3 3 GLU CA C 13 56.990 0.028 . 1 . . . . . 2 GLU CA . 27911 1 10 . 1 . 1 3 3 GLU CB C 13 29.852 0.027 . 1 . . . . . 2 GLU CB . 27911 1 11 . 1 . 1 3 3 GLU N N 15 121.122 0.005 . 1 . . . . . 2 GLU N . 27911 1 12 . 1 . 1 4 4 ASP H H 1 8.072 0.003 . 1 . . . . . 3 ASP H . 27911 1 13 . 1 . 1 4 4 ASP HA H 1 4.412 0.002 . 1 . . . . . 3 ASP HA . 27911 1 14 . 1 . 1 4 4 ASP C C 13 175.998 0.001 . 1 . . . . . 3 ASP C . 27911 1 15 . 1 . 1 4 4 ASP CA C 13 54.312 0.017 . 1 . . . . . 3 ASP CA . 27911 1 16 . 1 . 1 4 4 ASP CB C 13 40.924 0.007 . 1 . . . . . 3 ASP CB . 27911 1 17 . 1 . 1 4 4 ASP N N 15 120.951 0.023 . 1 . . . . . 3 ASP N . 27911 1 18 . 1 . 1 5 5 LYS H H 1 8.005 0.002 . 1 . . . . . 4 LYS H . 27911 1 19 . 1 . 1 5 5 LYS HA H 1 4.183 0.002 . 1 . . . . . 4 LYS HA . 27911 1 20 . 1 . 1 5 5 LYS C C 13 176.387 0.010 . 1 . . . . . 4 LYS C . 27911 1 21 . 1 . 1 5 5 LYS CA C 13 56.136 0.043 . 1 . . . . . 4 LYS CA . 27911 1 22 . 1 . 1 5 5 LYS CB C 13 32.817 0.057 . 1 . . . . . 4 LYS CB . 27911 1 23 . 1 . 1 5 5 LYS N N 15 121.095 0.028 . 1 . . . . . 4 LYS N . 27911 1 24 . 1 . 1 6 6 VAL H H 1 8.016 0.002 . 1 . . . . . 5 VAL H . 27911 1 25 . 1 . 1 6 6 VAL HA H 1 4.003 0.001 . 1 . . . . . 5 VAL HA . 27911 1 26 . 1 . 1 6 6 VAL C C 13 176.295 0.006 . 1 . . . . . 5 VAL C . 27911 1 27 . 1 . 1 6 6 VAL CA C 13 62.443 0.058 . 1 . . . . . 5 VAL CA . 27911 1 28 . 1 . 1 6 6 VAL CB C 13 32.621 0.032 . 1 . . . . . 5 VAL CB . 27911 1 29 . 1 . 1 6 6 VAL N N 15 121.278 0.117 . 1 . . . . . 5 VAL N . 27911 1 30 . 1 . 1 7 7 THR H H 1 8.135 0.001 . 1 . . . . . 6 THR H . 27911 1 31 . 1 . 1 7 7 THR HA H 1 4.204 0.000 . 1 . . . . . 6 THR HA . 27911 1 32 . 1 . 1 7 7 THR C C 13 174.088 0.002 . 1 . . . . . 6 THR C . 27911 1 33 . 1 . 1 7 7 THR CA C 13 61.726 0.065 . 1 . . . . . 6 THR CA . 27911 1 34 . 1 . 1 7 7 THR CB C 13 69.680 0.028 . 1 . . . . . 6 THR CB . 27911 1 35 . 1 . 1 7 7 THR N N 15 118.533 0.007 . 1 . . . . . 6 THR N . 27911 1 36 . 1 . 1 8 8 SER H H 1 8.206 0.001 . 1 . . . . . 7 SER H . 27911 1 37 . 1 . 1 8 8 SER C C 13 172.901 0.007 . 1 . . . . . 7 SER C . 27911 1 38 . 1 . 1 8 8 SER CA C 13 56.284 0.000 . 1 . . . . . 7 SER CA . 27911 1 39 . 1 . 1 8 8 SER CB C 13 63.188 0.000 . 1 . . . . . 7 SER CB . 27911 1 40 . 1 . 1 8 8 SER N N 15 119.634 0.018 . 1 . . . . . 7 SER N . 27911 1 41 . 1 . 1 9 9 PRO HA H 1 4.250 0.000 . 1 . . . . . 8 PRO HA . 27911 1 42 . 1 . 1 9 9 PRO C C 13 177.470 0.016 . 1 . . . . . 8 PRO C . 27911 1 43 . 1 . 1 9 9 PRO CA C 13 63.873 0.000 . 1 . . . . . 8 PRO CA . 27911 1 44 . 1 . 1 9 9 PRO CB C 13 31.896 0.000 . 1 . . . . . 8 PRO CB . 27911 1 45 . 1 . 1 9 9 PRO N N 15 137.947 0.008 . 1 . . . . . 8 PRO N . 27911 1 46 . 1 . 1 10 10 GLU H H 1 8.473 0.001 . 1 . . . . . 9 GLU H . 27911 1 47 . 1 . 1 10 10 GLU HA H 1 4.050 0.002 . 1 . . . . . 9 GLU HA . 27911 1 48 . 1 . 1 10 10 GLU C C 13 177.270 0.026 . 1 . . . . . 9 GLU C . 27911 1 49 . 1 . 1 10 10 GLU CA C 13 57.529 0.063 . 1 . . . . . 9 GLU CA . 27911 1 50 . 1 . 1 10 10 GLU CB C 13 29.549 0.009 . 1 . . . . . 9 GLU CB . 27911 1 51 . 1 . 1 10 10 GLU N N 15 120.007 0.015 . 1 . . . . . 9 GLU N . 27911 1 52 . 1 . 1 11 11 LYS H H 1 8.020 0.002 . 1 . . . . . 10 LYS H . 27911 1 53 . 1 . 1 11 11 LYS HA H 1 4.107 0.000 . 1 . . . . . 10 LYS HA . 27911 1 54 . 1 . 1 11 11 LYS C C 13 177.245 0.018 . 1 . . . . . 10 LYS C . 27911 1 55 . 1 . 1 11 11 LYS CA C 13 56.779 0.040 . 1 . . . . . 10 LYS CA . 27911 1 56 . 1 . 1 11 11 LYS CB C 13 32.464 0.002 . 1 . . . . . 10 LYS CB . 27911 1 57 . 1 . 1 11 11 LYS N N 15 121.881 0.011 . 1 . . . . . 10 LYS N . 27911 1 58 . 1 . 1 12 12 ALA H H 1 8.135 0.001 . 1 . . . . . 11 ALA H . 27911 1 59 . 1 . 1 12 12 ALA HA H 1 4.083 0.001 . 1 . . . . . 11 ALA HA . 27911 1 60 . 1 . 1 12 12 ALA C C 13 178.845 0.019 . 1 . . . . . 11 ALA C . 27911 1 61 . 1 . 1 12 12 ALA CA C 13 53.524 0.040 . 1 . . . . . 11 ALA CA . 27911 1 62 . 1 . 1 12 12 ALA CB C 13 18.644 0.012 . 1 . . . . . 11 ALA CB . 27911 1 63 . 1 . 1 12 12 ALA N N 15 124.782 0.022 . 1 . . . . . 11 ALA N . 27911 1 64 . 1 . 1 13 13 GLU H H 1 8.212 0.002 . 1 . . . . . 12 GLU H . 27911 1 65 . 1 . 1 13 13 GLU HA H 1 4.021 0.000 . 1 . . . . . 12 GLU HA . 27911 1 66 . 1 . 1 13 13 GLU C C 13 177.620 0.011 . 1 . . . . . 12 GLU C . 27911 1 67 . 1 . 1 13 13 GLU CA C 13 57.554 0.026 . 1 . . . . . 12 GLU CA . 27911 1 68 . 1 . 1 13 13 GLU CB C 13 29.577 0.012 . 1 . . . . . 12 GLU CB . 27911 1 69 . 1 . 1 13 13 GLU N N 15 119.333 0.006 . 1 . . . . . 12 GLU N . 27911 1 70 . 1 . 1 14 14 GLU H H 1 8.050 0.002 . 1 . . . . . 13 GLU H . 27911 1 71 . 1 . 1 14 14 GLU HA H 1 3.963 0.001 . 1 . . . . . 13 GLU HA . 27911 1 72 . 1 . 1 14 14 GLU C C 13 177.394 0.009 . 1 . . . . . 13 GLU C . 27911 1 73 . 1 . 1 14 14 GLU CA C 13 58.052 0.039 . 1 . . . . . 13 GLU CA . 27911 1 74 . 1 . 1 14 14 GLU CB C 13 29.718 0.053 . 1 . . . . . 13 GLU CB . 27911 1 75 . 1 . 1 14 14 GLU N N 15 121.040 0.021 . 1 . . . . . 13 GLU N . 27911 1 76 . 1 . 1 15 15 ALA H H 1 7.953 0.001 . 1 . . . . . 14 ALA H . 27911 1 77 . 1 . 1 15 15 ALA HA H 1 4.025 0.003 . 1 . . . . . 14 ALA HA . 27911 1 78 . 1 . 1 15 15 ALA C C 13 179.048 0.015 . 1 . . . . . 14 ALA C . 27911 1 79 . 1 . 1 15 15 ALA CA C 13 53.810 0.023 . 1 . . . . . 14 ALA CA . 27911 1 80 . 1 . 1 15 15 ALA CB C 13 18.487 0.023 . 1 . . . . . 14 ALA CB . 27911 1 81 . 1 . 1 15 15 ALA N N 15 122.686 0.016 . 1 . . . . . 14 ALA N . 27911 1 82 . 1 . 1 16 16 LYS H H 1 7.779 0.002 . 1 . . . . . 15 LYS H . 27911 1 83 . 1 . 1 16 16 LYS HA H 1 4.009 0.001 . 1 . . . . . 15 LYS HA . 27911 1 84 . 1 . 1 16 16 LYS C C 13 177.622 0.012 . 1 . . . . . 15 LYS C . 27911 1 85 . 1 . 1 16 16 LYS CA C 13 57.540 0.008 . 1 . . . . . 15 LYS CA . 27911 1 86 . 1 . 1 16 16 LYS CB C 13 32.509 0.021 . 1 . . . . . 15 LYS CB . 27911 1 87 . 1 . 1 16 16 LYS N N 15 118.840 0.007 . 1 . . . . . 15 LYS N . 27911 1 88 . 1 . 1 17 17 LEU H H 1 7.773 0.001 . 1 . . . . . 16 LEU H . 27911 1 89 . 1 . 1 17 17 LEU HA H 1 4.074 0.000 . 1 . . . . . 16 LEU HA . 27911 1 90 . 1 . 1 17 17 LEU C C 13 177.993 0.007 . 1 . . . . . 16 LEU C . 27911 1 91 . 1 . 1 17 17 LEU CA C 13 56.078 0.036 . 1 . . . . . 16 LEU CA . 27911 1 92 . 1 . 1 17 17 LEU CB C 13 41.823 0.083 . 1 . . . . . 16 LEU CB . 27911 1 93 . 1 . 1 17 17 LEU N N 15 120.965 0.011 . 1 . . . . . 16 LEU N . 27911 1 94 . 1 . 1 18 18 LYS H H 1 7.863 0.005 . 1 . . . . . 17 LYS H . 27911 1 95 . 1 . 1 18 18 LYS HA H 1 4.005 0.002 . 1 . . . . . 17 LYS HA . 27911 1 96 . 1 . 1 18 18 LYS C C 13 176.671 0.009 . 1 . . . . . 17 LYS C . 27911 1 97 . 1 . 1 18 18 LYS CA C 13 56.980 0.020 . 1 . . . . . 17 LYS CA . 27911 1 98 . 1 . 1 18 18 LYS CB C 13 32.598 0.039 . 1 . . . . . 17 LYS CB . 27911 1 99 . 1 . 1 18 18 LYS N N 15 120.082 0.037 . 1 . . . . . 17 LYS N . 27911 1 100 . 1 . 1 19 19 ALA H H 1 7.702 0.002 . 1 . . . . . 18 ALA H . 27911 1 101 . 1 . 1 19 19 ALA HA H 1 4.055 0.002 . 1 . . . . . 18 ALA HA . 27911 1 102 . 1 . 1 19 19 ALA C C 13 177.539 0.020 . 1 . . . . . 18 ALA C . 27911 1 103 . 1 . 1 19 19 ALA CA C 13 52.662 0.018 . 1 . . . . . 18 ALA CA . 27911 1 104 . 1 . 1 19 19 ALA CB C 13 18.800 0.020 . 1 . . . . . 18 ALA CB . 27911 1 105 . 1 . 1 19 19 ALA N N 15 122.533 0.030 . 1 . . . . . 18 ALA N . 27911 1 106 . 1 . 1 20 20 ARG H H 1 7.755 0.001 . 1 . . . . . 19 ARG H . 27911 1 107 . 1 . 1 20 20 ARG HA H 1 4.004 0.002 . 1 . . . . . 19 ARG HA . 27911 1 108 . 1 . 1 20 20 ARG C C 13 175.610 0.007 . 1 . . . . . 19 ARG C . 27911 1 109 . 1 . 1 20 20 ARG CA C 13 56.505 0.125 . 1 . . . . . 19 ARG CA . 27911 1 110 . 1 . 1 20 20 ARG CB C 13 30.830 0.040 . 1 . . . . . 19 ARG CB . 27911 1 111 . 1 . 1 20 20 ARG N N 15 118.861 0.021 . 1 . . . . . 19 ARG N . 27911 1 112 . 1 . 1 21 21 TYR H H 1 7.860 0.002 . 1 . . . . . 20 TYR H . 27911 1 113 . 1 . 1 21 21 TYR HA H 1 4.752 0.001 . 1 . . . . . 20 TYR HA . 27911 1 114 . 1 . 1 21 21 TYR C C 13 173.837 0.008 . 1 . . . . . 20 TYR C . 27911 1 115 . 1 . 1 21 21 TYR CA C 13 57.502 0.000 . 1 . . . . . 20 TYR CA . 27911 1 116 . 1 . 1 21 21 TYR CB C 13 38.199 0.000 . 1 . . . . . 20 TYR CB . 27911 1 117 . 1 . 1 21 21 TYR N N 15 119.903 0.090 . 1 . . . . . 20 TYR N . 27911 1 118 . 1 . 1 22 22 PRO HA H 1 4.255 0.007 . 1 . . . . . 21 PRO HA . 27911 1 119 . 1 . 1 22 22 PRO C C 13 176.738 0.007 . 1 . . . . . 21 PRO C . 27911 1 120 . 1 . 1 22 22 PRO CA C 13 63.644 0.000 . 1 . . . . . 21 PRO CA . 27911 1 121 . 1 . 1 22 22 PRO CB C 13 31.690 0.000 . 1 . . . . . 21 PRO CB . 27911 1 122 . 1 . 1 22 22 PRO N N 15 136.442 0.017 . 1 . . . . . 21 PRO N . 27911 1 123 . 1 . 1 23 23 HIS H H 1 8.113 0.002 . 1 . . . . . 22 HIS H . 27911 1 124 . 1 . 1 23 23 HIS HA H 1 4.476 0.002 . 1 . . . . . 22 HIS HA . 27911 1 125 . 1 . 1 23 23 HIS C C 13 175.548 0.009 . 1 . . . . . 22 HIS C . 27911 1 126 . 1 . 1 23 23 HIS CA C 13 56.295 0.054 . 1 . . . . . 22 HIS CA . 27911 1 127 . 1 . 1 23 23 HIS CB C 13 30.235 0.055 . 1 . . . . . 22 HIS CB . 27911 1 128 . 1 . 1 23 23 HIS N N 15 118.336 0.014 . 1 . . . . . 22 HIS N . 27911 1 129 . 1 . 1 24 24 LEU H H 1 7.883 0.005 . 1 . . . . . 23 LEU H . 27911 1 130 . 1 . 1 24 24 LEU HA H 1 4.152 0.001 . 1 . . . . . 23 LEU HA . 27911 1 131 . 1 . 1 24 24 LEU C C 13 177.641 0.009 . 1 . . . . . 23 LEU C . 27911 1 132 . 1 . 1 24 24 LEU CA C 13 55.411 0.046 . 1 . . . . . 23 LEU CA . 27911 1 133 . 1 . 1 24 24 LEU CB C 13 42.039 0.063 . 1 . . . . . 23 LEU CB . 27911 1 134 . 1 . 1 24 24 LEU N N 15 123.047 0.066 . 1 . . . . . 23 LEU N . 27911 1 135 . 1 . 1 25 25 GLY H H 1 8.230 0.002 . 1 . . . . . 24 GLY H . 27911 1 136 . 1 . 1 25 25 GLY HA2 H 1 3.779 0.001 . 1 . . . . . 24 GLY HA . 27911 1 137 . 1 . 1 25 25 GLY HA3 H 1 3.779 0.001 . 1 . . . . . 24 GLY HA . 27911 1 138 . 1 . 1 25 25 GLY C C 13 173.836 0.001 . 1 . . . . . 24 GLY C . 27911 1 139 . 1 . 1 25 25 GLY CA C 13 45.212 0.022 . 1 . . . . . 24 GLY CA . 27911 1 140 . 1 . 1 25 25 GLY N N 15 109.164 0.035 . 1 . . . . . 24 GLY N . 27911 1 141 . 1 . 1 26 26 GLN H H 1 7.966 0.002 . 1 . . . . . 25 GLN H . 27911 1 142 . 1 . 1 26 26 GLN HA H 1 4.178 0.001 . 1 . . . . . 25 GLN HA . 27911 1 143 . 1 . 1 26 26 GLN C C 13 175.649 0.007 . 1 . . . . . 25 GLN C . 27911 1 144 . 1 . 1 26 26 GLN CA C 13 55.492 0.032 . 1 . . . . . 25 GLN CA . 27911 1 145 . 1 . 1 26 26 GLN CB C 13 29.560 0.032 . 1 . . . . . 25 GLN CB . 27911 1 146 . 1 . 1 26 26 GLN N N 15 119.411 0.021 . 1 . . . . . 25 GLN N . 27911 1 147 . 1 . 1 27 27 LYS H H 1 8.251 0.002 . 1 . . . . . 26 LYS H . 27911 1 148 . 1 . 1 27 27 LYS HA H 1 4.404 0.001 . 1 . . . . . 26 LYS HA . 27911 1 149 . 1 . 1 27 27 LYS C C 13 174.419 0.004 . 1 . . . . . 26 LYS C . 27911 1 150 . 1 . 1 27 27 LYS CA C 13 54.181 0.000 . 1 . . . . . 26 LYS CA . 27911 1 151 . 1 . 1 27 27 LYS CB C 13 32.303 0.000 . 1 . . . . . 26 LYS CB . 27911 1 152 . 1 . 1 27 27 LYS N N 15 123.840 0.038 . 1 . . . . . 26 LYS N . 27911 1 153 . 1 . 1 28 28 PRO HA H 1 4.217 0.003 . 1 . . . . . 27 PRO HA . 27911 1 154 . 1 . 1 28 28 PRO C C 13 177.357 0.005 . 1 . . . . . 27 PRO C . 27911 1 155 . 1 . 1 28 28 PRO CA C 13 63.403 0.043 . 1 . . . . . 27 PRO CA . 27911 1 156 . 1 . 1 28 28 PRO CB C 13 31.877 0.035 . 1 . . . . . 27 PRO CB . 27911 1 157 . 1 . 1 28 28 PRO N N 15 137.474 0.006 . 1 . . . . . 27 PRO N . 27911 1 158 . 1 . 1 29 29 GLY H H 1 8.351 0.002 . 1 . . . . . 28 GLY H . 27911 1 159 . 1 . 1 29 29 GLY HA2 H 1 3.813 0.002 . 1 . . . . . 28 GLY HA . 27911 1 160 . 1 . 1 29 29 GLY HA3 H 1 3.813 0.002 . 1 . . . . . 28 GLY HA . 27911 1 161 . 1 . 1 29 29 GLY C C 13 174.684 0.006 . 1 . . . . . 28 GLY C . 27911 1 162 . 1 . 1 29 29 GLY CA C 13 45.184 0.011 . 1 . . . . . 28 GLY CA . 27911 1 163 . 1 . 1 29 29 GLY N N 15 109.726 0.018 . 1 . . . . . 28 GLY N . 27911 1 164 . 1 . 1 30 30 GLY H H 1 8.175 0.001 . 1 . . . . . 29 GLY H . 27911 1 165 . 1 . 1 30 30 GLY HA2 H 1 3.872 0.000 . 1 . . . . . 29 GLY HA . 27911 1 166 . 1 . 1 30 30 GLY HA3 H 1 3.872 0.000 . 1 . . . . . 29 GLY HA . 27911 1 167 . 1 . 1 30 30 GLY C C 13 174.432 0.009 . 1 . . . . . 29 GLY C . 27911 1 168 . 1 . 1 30 30 GLY CA C 13 45.172 0.000 . 1 . . . . . 29 GLY CA . 27911 1 169 . 1 . 1 30 30 GLY N N 15 108.611 0.007 . 1 . . . . . 29 GLY N . 27911 1 170 . 1 . 1 31 31 SER H H 1 8.236 0.000 . 1 . . . . . 30 SER H . 27911 1 171 . 1 . 1 31 31 SER HA H 1 4.268 0.002 . 1 . . . . . 30 SER HA . 27911 1 172 . 1 . 1 31 31 SER C C 13 174.672 0.008 . 1 . . . . . 30 SER C . 27911 1 173 . 1 . 1 31 31 SER N N 15 115.858 0.589 . 1 . . . . . 30 SER N . 27911 1 174 . 1 . 1 32 32 ASP H H 1 8.293 0.000 . 1 . . . . . 31 ASP H . 27911 1 175 . 1 . 1 32 32 ASP HA H 1 4.376 0.002 . 1 . . . . . 31 ASP HA . 27911 1 176 . 1 . 1 32 32 ASP C C 13 176.494 0.020 . 1 . . . . . 31 ASP C . 27911 1 177 . 1 . 1 32 32 ASP CA C 13 55.038 0.008 . 1 . . . . . 31 ASP CA . 27911 1 178 . 1 . 1 32 32 ASP CB C 13 40.724 0.019 . 1 . . . . . 31 ASP CB . 27911 1 179 . 1 . 1 32 32 ASP N N 15 122.276 0.027 . 1 . . . . . 31 ASP N . 27911 1 180 . 1 . 1 33 33 PHE H H 1 7.872 0.001 . 1 . . . . . 32 PHE H . 27911 1 181 . 1 . 1 33 33 PHE HA H 1 4.269 0.000 . 1 . . . . . 32 PHE HA . 27911 1 182 . 1 . 1 33 33 PHE C C 13 176.207 0.007 . 1 . . . . . 32 PHE C . 27911 1 183 . 1 . 1 33 33 PHE CA C 13 53.865 8.596 . 1 . . . . . 32 PHE CA . 27911 1 184 . 1 . 1 33 33 PHE CB C 13 38.969 0.016 . 1 . . . . . 32 PHE CB . 27911 1 185 . 1 . 1 33 33 PHE N N 15 119.667 0.023 . 1 . . . . . 32 PHE N . 27911 1 186 . 1 . 1 34 34 LEU H H 1 7.788 0.002 . 1 . . . . . 33 LEU H . 27911 1 187 . 1 . 1 34 34 LEU HA H 1 3.992 0.004 . 1 . . . . . 33 LEU HA . 27911 1 188 . 1 . 1 34 34 LEU C C 13 177.606 0.012 . 1 . . . . . 33 LEU C . 27911 1 189 . 1 . 1 34 34 LEU CA C 13 55.829 0.024 . 1 . . . . . 33 LEU CA . 27911 1 190 . 1 . 1 34 34 LEU CB C 13 41.853 0.078 . 1 . . . . . 33 LEU CB . 27911 1 191 . 1 . 1 34 34 LEU N N 15 121.258 0.074 . 1 . . . . . 33 LEU N . 27911 1 192 . 1 . 1 35 35 ARG H H 1 7.836 0.002 . 1 . . . . . 34 ARG H . 27911 1 193 . 1 . 1 35 35 ARG HA H 1 4.008 0.000 . 1 . . . . . 34 ARG HA . 27911 1 194 . 1 . 1 35 35 ARG C C 13 176.814 0.005 . 1 . . . . . 34 ARG C . 27911 1 195 . 1 . 1 35 35 ARG CA C 13 56.657 0.078 . 1 . . . . . 34 ARG CA . 27911 1 196 . 1 . 1 35 35 ARG CB C 13 30.273 0.021 . 1 . . . . . 34 ARG CB . 27911 1 197 . 1 . 1 35 35 ARG N N 15 120.122 0.020 . 1 . . . . . 34 ARG N . 27911 1 198 . 1 . 1 36 36 LYS H H 1 7.922 0.002 . 1 . . . . . 35 LYS H . 27911 1 199 . 1 . 1 36 36 LYS HA H 1 4.037 0.003 . 1 . . . . . 35 LYS HA . 27911 1 200 . 1 . 1 36 36 LYS C C 13 176.823 0.010 . 1 . . . . . 35 LYS C . 27911 1 201 . 1 . 1 36 36 LYS CA C 13 57.032 0.044 . 1 . . . . . 35 LYS CA . 27911 1 202 . 1 . 1 36 36 LYS CB C 13 32.666 0.029 . 1 . . . . . 35 LYS CB . 27911 1 203 . 1 . 1 36 36 LYS N N 15 120.717 0.029 . 1 . . . . . 35 LYS N . 27911 1 204 . 1 . 1 37 37 ARG H H 1 7.968 0.005 . 1 . . . . . 36 ARG H . 27911 1 205 . 1 . 1 37 37 ARG C C 13 176.417 0.005 . 1 . . . . . 36 ARG C . 27911 1 206 . 1 . 1 37 37 ARG CA C 13 56.494 0.047 . 1 . . . . . 36 ARG CA . 27911 1 207 . 1 . 1 37 37 ARG CB C 13 30.453 0.012 . 1 . . . . . 36 ARG CB . 27911 1 208 . 1 . 1 37 37 ARG N N 15 120.966 0.040 . 1 . . . . . 36 ARG N . 27911 1 209 . 1 . 1 38 38 LEU H H 1 7.986 0.001 . 1 . . . . . 37 LEU H . 27911 1 210 . 1 . 1 38 38 LEU HA H 1 4.149 0.003 . 1 . . . . . 37 LEU HA . 27911 1 211 . 1 . 1 38 38 LEU C C 13 177.350 0.012 . 1 . . . . . 37 LEU C . 27911 1 212 . 1 . 1 38 38 LEU CA C 13 55.274 0.000 . 1 . . . . . 37 LEU CA . 27911 1 213 . 1 . 1 38 38 LEU CB C 13 42.123 0.000 . 1 . . . . . 37 LEU CB . 27911 1 214 . 1 . 1 38 38 LEU N N 15 122.287 0.024 . 1 . . . . . 37 LEU N . 27911 1 215 . 1 . 1 39 39 GLN H H 1 8.076 0.002 . 1 . . . . . 38 GLN H . 27911 1 216 . 1 . 1 39 39 GLN HA H 1 4.145 0.002 . 1 . . . . . 38 GLN HA . 27911 1 217 . 1 . 1 39 39 GLN C C 13 175.918 0.045 . 1 . . . . . 38 GLN C . 27911 1 218 . 1 . 1 39 39 GLN CA C 13 55.703 0.093 . 1 . . . . . 38 GLN CA . 27911 1 219 . 1 . 1 39 39 GLN CB C 13 29.614 0.167 . 1 . . . . . 38 GLN CB . 27911 1 220 . 1 . 1 39 39 GLN N N 15 120.760 0.073 . 1 . . . . . 38 GLN N . 27911 1 221 . 1 . 1 40 40 LYS H H 1 8.170 0.001 . 1 . . . . . 39 LYS H . 27911 1 222 . 1 . 1 40 40 LYS HA H 1 4.068 0.000 . 1 . . . . . 39 LYS HA . 27911 1 223 . 1 . 1 40 40 LYS C C 13 177.079 0.006 . 1 . . . . . 39 LYS C . 27911 1 224 . 1 . 1 40 40 LYS CA C 13 56.884 0.000 . 1 . . . . . 39 LYS CA . 27911 1 225 . 1 . 1 40 40 LYS CB C 13 32.739 0.000 . 1 . . . . . 39 LYS CB . 27911 1 226 . 1 . 1 40 40 LYS N N 15 122.200 0.013 . 1 . . . . . 39 LYS N . 27911 1 227 . 1 . 1 41 41 GLY H H 1 8.334 0.001 . 1 . . . . . 40 GLY H . 27911 1 228 . 1 . 1 41 41 GLY C C 13 173.980 0.015 . 1 . . . . . 40 GLY C . 27911 1 229 . 1 . 1 41 41 GLY CA C 13 45.235 0.034 . 1 . . . . . 40 GLY CA . 27911 1 230 . 1 . 1 41 41 GLY N N 15 110.228 0.000 . 1 . . . . . 40 GLY N . 27911 1 231 . 1 . 1 42 42 GLN H H 1 7.978 0.001 . 1 . . . . . 41 GLN H . 27911 1 232 . 1 . 1 42 42 GLN HA H 1 4.107 0.000 . 1 . . . . . 41 GLN HA . 27911 1 233 . 1 . 1 42 42 GLN C C 13 175.678 0.005 . 1 . . . . . 41 GLN C . 27911 1 234 . 1 . 1 42 42 GLN CA C 13 55.817 0.043 . 1 . . . . . 41 GLN CA . 27911 1 235 . 1 . 1 42 42 GLN CB C 13 29.524 0.047 . 1 . . . . . 41 GLN CB . 27911 1 236 . 1 . 1 42 42 GLN N N 15 119.761 0.030 . 1 . . . . . 41 GLN N . 27911 1 237 . 1 . 1 43 43 LYS H H 1 8.159 0.002 . 1 . . . . . 42 LYS H . 27911 1 238 . 1 . 1 43 43 LYS HA H 1 4.058 0.003 . 1 . . . . . 42 LYS HA . 27911 1 239 . 1 . 1 43 43 LYS C C 13 175.882 0.003 . 1 . . . . . 42 LYS C . 27911 1 240 . 1 . 1 43 43 LYS CA C 13 56.601 0.013 . 1 . . . . . 42 LYS CA . 27911 1 241 . 1 . 1 43 43 LYS CB C 13 32.784 0.050 . 1 . . . . . 42 LYS CB . 27911 1 242 . 1 . 1 43 43 LYS N N 15 121.951 0.072 . 1 . . . . . 42 LYS N . 27911 1 243 . 1 . 1 44 44 TYR H H 1 7.924 0.009 . 1 . . . . . 43 TYR H . 27911 1 244 . 1 . 1 44 44 TYR HA H 1 4.351 0.001 . 1 . . . . . 43 TYR HA . 27911 1 245 . 1 . 1 44 44 TYR C C 13 175.157 0.015 . 1 . . . . . 43 TYR C . 27911 1 246 . 1 . 1 44 44 TYR CA C 13 57.819 0.032 . 1 . . . . . 43 TYR CA . 27911 1 247 . 1 . 1 44 44 TYR CB C 13 38.913 0.009 . 1 . . . . . 43 TYR CB . 27911 1 248 . 1 . 1 44 44 TYR N N 15 120.298 0.050 . 1 . . . . . 43 TYR N . 27911 1 249 . 1 . 1 45 45 PHE H H 1 7.913 0.002 . 1 . . . . . 44 PHE H . 27911 1 250 . 1 . 1 45 45 PHE HA H 1 4.386 0.001 . 1 . . . . . 44 PHE HA . 27911 1 251 . 1 . 1 45 45 PHE C C 13 174.744 0.017 . 1 . . . . . 44 PHE C . 27911 1 252 . 1 . 1 45 45 PHE CA C 13 57.551 0.049 . 1 . . . . . 44 PHE CA . 27911 1 253 . 1 . 1 45 45 PHE CB C 13 39.775 0.034 . 1 . . . . . 44 PHE CB . 27911 1 254 . 1 . 1 45 45 PHE N N 15 121.553 0.093 . 1 . . . . . 44 PHE N . 27911 1 255 . 1 . 1 46 46 ASP H H 1 8.111 0.001 . 1 . . . . . 45 ASP H . 27911 1 256 . 1 . 1 46 46 ASP HA H 1 4.444 0.000 . 1 . . . . . 45 ASP HA . 27911 1 257 . 1 . 1 46 46 ASP C C 13 175.979 0.000 . 1 . . . . . 45 ASP C . 27911 1 258 . 1 . 1 46 46 ASP CA C 13 53.892 0.050 . 1 . . . . . 45 ASP CA . 27911 1 259 . 1 . 1 46 46 ASP CB C 13 41.533 0.007 . 1 . . . . . 45 ASP CB . 27911 1 260 . 1 . 1 46 46 ASP N N 15 122.340 0.021 . 1 . . . . . 45 ASP N . 27911 1 261 . 1 . 1 47 47 SER H H 1 8.117 0.002 . 1 . . . . . 46 SER H . 27911 1 262 . 1 . 1 47 47 SER HA H 1 4.200 0.001 . 1 . . . . . 46 SER HA . 27911 1 263 . 1 . 1 47 47 SER C C 13 175.173 0.007 . 1 . . . . . 46 SER C . 27911 1 264 . 1 . 1 47 47 SER CA C 13 58.836 0.053 . 1 . . . . . 46 SER CA . 27911 1 265 . 1 . 1 47 47 SER CB C 13 63.695 0.032 . 1 . . . . . 46 SER CB . 27911 1 266 . 1 . 1 47 47 SER N N 15 116.865 0.018 . 1 . . . . . 46 SER N . 27911 1 267 . 1 . 1 48 48 GLY H H 1 8.332 0.002 . 1 . . . . . 47 GLY H . 27911 1 268 . 1 . 1 48 48 GLY HA2 H 1 3.767 0.001 . 1 . . . . . 47 GLY HA . 27911 1 269 . 1 . 1 48 48 GLY HA3 H 1 3.767 0.001 . 1 . . . . . 47 GLY HA . 27911 1 270 . 1 . 1 48 48 GLY C C 13 173.971 0.002 . 1 . . . . . 47 GLY C . 27911 1 271 . 1 . 1 48 48 GLY CA C 13 45.602 0.013 . 1 . . . . . 47 GLY CA . 27911 1 272 . 1 . 1 48 48 GLY N N 15 110.536 0.006 . 1 . . . . . 47 GLY N . 27911 1 273 . 1 . 1 49 49 ASP H H 1 7.939 0.001 . 1 . . . . . 48 ASP H . 27911 1 274 . 1 . 1 49 49 ASP HA H 1 4.402 0.000 . 1 . . . . . 48 ASP HA . 27911 1 275 . 1 . 1 49 49 ASP C C 13 176.410 0.012 . 1 . . . . . 48 ASP C . 27911 1 276 . 1 . 1 49 49 ASP CA C 13 54.332 0.033 . 1 . . . . . 48 ASP CA . 27911 1 277 . 1 . 1 49 49 ASP CB C 13 40.960 0.005 . 1 . . . . . 48 ASP CB . 27911 1 278 . 1 . 1 49 49 ASP N N 15 120.261 0.029 . 1 . . . . . 48 ASP N . 27911 1 279 . 1 . 1 50 50 TYR H H 1 7.953 0.004 . 1 . . . . . 49 TYR H . 27911 1 280 . 1 . 1 50 50 TYR HA H 1 4.250 0.001 . 1 . . . . . 49 TYR HA . 27911 1 281 . 1 . 1 50 50 TYR C C 13 175.938 0.015 . 1 . . . . . 49 TYR C . 27911 1 282 . 1 . 1 50 50 TYR CA C 13 58.658 0.018 . 1 . . . . . 49 TYR CA . 27911 1 283 . 1 . 1 50 50 TYR CB C 13 38.273 0.012 . 1 . . . . . 49 TYR CB . 27911 1 284 . 1 . 1 50 50 TYR N N 15 120.996 0.045 . 1 . . . . . 49 TYR N . 27911 1 285 . 1 . 1 51 51 ASN H H 1 8.090 0.002 . 1 . . . . . 50 ASN H . 27911 1 286 . 1 . 1 51 51 ASN HA H 1 4.394 0.000 . 1 . . . . . 50 ASN HA . 27911 1 287 . 1 . 1 51 51 ASN C C 13 175.797 0.010 . 1 . . . . . 50 ASN C . 27911 1 288 . 1 . 1 51 51 ASN CA C 13 53.841 0.036 . 1 . . . . . 50 ASN CA . 27911 1 289 . 1 . 1 51 51 ASN CB C 13 38.456 0.032 . 1 . . . . . 50 ASN CB . 27911 1 290 . 1 . 1 51 51 ASN N N 15 119.405 0.012 . 1 . . . . . 50 ASN N . 27911 1 291 . 1 . 1 52 52 MET H H 1 8.023 0.003 . 1 . . . . . 51 MET H . 27911 1 292 . 1 . 1 52 52 MET HA H 1 4.170 0.001 . 1 . . . . . 51 MET HA . 27911 1 293 . 1 . 1 52 52 MET C C 13 176.529 0.010 . 1 . . . . . 51 MET C . 27911 1 294 . 1 . 1 52 52 MET CA C 13 56.394 0.018 . 1 . . . . . 51 MET CA . 27911 1 295 . 1 . 1 52 52 MET CB C 13 32.341 0.026 . 1 . . . . . 51 MET CB . 27911 1 296 . 1 . 1 52 52 MET N N 15 120.588 0.019 . 1 . . . . . 51 MET N . 27911 1 297 . 1 . 1 53 53 ALA H H 1 7.962 0.001 . 1 . . . . . 52 ALA H . 27911 1 298 . 1 . 1 53 53 ALA HA H 1 4.050 0.001 . 1 . . . . . 52 ALA HA . 27911 1 299 . 1 . 1 53 53 ALA C C 13 178.560 0.018 . 1 . . . . . 52 ALA C . 27911 1 300 . 1 . 1 53 53 ALA CA C 13 53.387 0.008 . 1 . . . . . 52 ALA CA . 27911 1 301 . 1 . 1 53 53 ALA CB C 13 18.563 0.008 . 1 . . . . . 52 ALA CB . 27911 1 302 . 1 . 1 53 53 ALA N N 15 123.488 0.015 . 1 . . . . . 52 ALA N . 27911 1 303 . 1 . 1 54 54 LYS H H 1 7.890 0.001 . 1 . . . . . 53 LYS H . 27911 1 304 . 1 . 1 54 54 LYS HA H 1 4.011 0.000 . 1 . . . . . 53 LYS HA . 27911 1 305 . 1 . 1 54 54 LYS C C 13 177.070 0.010 . 1 . . . . . 53 LYS C . 27911 1 306 . 1 . 1 54 54 LYS CA C 13 56.944 0.004 . 1 . . . . . 53 LYS CA . 27911 1 307 . 1 . 1 54 54 LYS CB C 13 32.520 0.011 . 1 . . . . . 53 LYS CB . 27911 1 308 . 1 . 1 54 54 LYS N N 15 119.097 0.019 . 1 . . . . . 53 LYS N . 27911 1 309 . 1 . 1 55 55 ALA H H 1 7.867 0.001 . 1 . . . . . 54 ALA H . 27911 1 310 . 1 . 1 55 55 ALA HA H 1 4.066 0.002 . 1 . . . . . 54 ALA HA . 27911 1 311 . 1 . 1 55 55 ALA C C 13 178.124 0.008 . 1 . . . . . 54 ALA C . 27911 1 312 . 1 . 1 55 55 ALA CA C 13 53.045 0.013 . 1 . . . . . 54 ALA CA . 27911 1 313 . 1 . 1 55 55 ALA CB C 13 18.822 0.031 . 1 . . . . . 54 ALA CB . 27911 1 314 . 1 . 1 55 55 ALA N N 15 123.353 0.018 . 1 . . . . . 54 ALA N . 27911 1 315 . 1 . 1 56 56 LYS H H 1 7.923 0.001 . 1 . . . . . 55 LYS H . 27911 1 316 . 1 . 1 56 56 LYS HA H 1 4.091 0.003 . 1 . . . . . 55 LYS HA . 27911 1 317 . 1 . 1 56 56 LYS C C 13 176.874 0.003 . 1 . . . . . 55 LYS C . 27911 1 318 . 1 . 1 56 56 LYS CA C 13 56.659 0.122 . 1 . . . . . 55 LYS CA . 27911 1 319 . 1 . 1 56 56 LYS CB C 13 32.701 0.005 . 1 . . . . . 55 LYS CB . 27911 1 320 . 1 . 1 56 56 LYS N N 15 119.039 0.024 . 1 . . . . . 55 LYS N . 27911 1 321 . 1 . 1 57 57 MET H H 1 7.940 0.002 . 1 . . . . . 56 MET H . 27911 1 322 . 1 . 1 57 57 MET HA H 1 4.263 0.001 . 1 . . . . . 56 MET HA . 27911 1 323 . 1 . 1 57 57 MET C C 13 176.271 0.005 . 1 . . . . . 56 MET C . 27911 1 324 . 1 . 1 57 57 MET CA C 13 55.633 0.015 . 1 . . . . . 56 MET CA . 27911 1 325 . 1 . 1 57 57 MET CB C 13 32.775 0.023 . 1 . . . . . 56 MET CB . 27911 1 326 . 1 . 1 57 57 MET N N 15 120.244 0.026 . 1 . . . . . 56 MET N . 27911 1 327 . 1 . 1 58 58 LYS H H 1 8.066 0.001 . 1 . . . . . 57 LYS H . 27911 1 328 . 1 . 1 58 58 LYS HA H 1 4.107 0.000 . 1 . . . . . 57 LYS HA . 27911 1 329 . 1 . 1 58 58 LYS C C 13 176.267 0.007 . 1 . . . . . 57 LYS C . 27911 1 330 . 1 . 1 58 58 LYS CA C 13 56.688 0.000 . 1 . . . . . 57 LYS CA . 27911 1 331 . 1 . 1 58 58 LYS CB C 13 32.754 0.000 . 1 . . . . . 57 LYS CB . 27911 1 332 . 1 . 1 58 58 LYS N N 15 121.924 0.012 . 1 . . . . . 57 LYS N . 27911 1 333 . 1 . 1 59 59 ASN H H 1 8.216 0.004 . 1 . . . . . 58 ASN H . 27911 1 334 . 1 . 1 59 59 ASN HA H 1 4.505 0.002 . 1 . . . . . 58 ASN HA . 27911 1 335 . 1 . 1 59 59 ASN C C 13 175.021 0.002 . 1 . . . . . 58 ASN C . 27911 1 336 . 1 . 1 59 59 ASN CA C 13 54.337 0.008 . 1 . . . . . 58 ASN CA . 27911 1 337 . 1 . 1 59 59 ASN CB C 13 38.687 0.006 . 1 . . . . . 58 ASN CB . 27911 1 338 . 1 . 1 59 59 ASN N N 15 119.258 0.008 . 1 . . . . . 58 ASN N . 27911 1 339 . 1 . 1 60 60 LYS H H 1 8.092 0.002 . 1 . . . . . 59 LYS H . 27911 1 340 . 1 . 1 60 60 LYS HA H 1 4.123 0.003 . 1 . . . . . 59 LYS HA . 27911 1 341 . 1 . 1 60 60 LYS C C 13 176.089 0.012 . 1 . . . . . 59 LYS C . 27911 1 342 . 1 . 1 60 60 LYS CA C 13 56.380 0.026 . 1 . . . . . 59 LYS CA . 27911 1 343 . 1 . 1 60 60 LYS CB C 13 32.822 0.023 . 1 . . . . . 59 LYS CB . 27911 1 344 . 1 . 1 60 60 LYS N N 15 121.476 0.034 . 1 . . . . . 59 LYS N . 27911 1 345 . 1 . 1 61 61 GLN H H 1 8.179 0.001 . 1 . . . . . 60 GLN H . 27911 1 346 . 1 . 1 61 61 GLN HA H 1 4.171 0.002 . 1 . . . . . 60 GLN HA . 27911 1 347 . 1 . 1 61 61 GLN C C 13 175.498 0.001 . 1 . . . . . 60 GLN C . 27911 1 348 . 1 . 1 61 61 GLN CA C 13 55.467 0.015 . 1 . . . . . 60 GLN CA . 27911 1 349 . 1 . 1 61 61 GLN CB C 13 29.364 0.005 . 1 . . . . . 60 GLN CB . 27911 1 350 . 1 . 1 61 61 GLN N N 15 121.134 0.009 . 1 . . . . . 60 GLN N . 27911 1 351 . 1 . 1 62 62 LEU H H 1 8.139 0.001 . 1 . . . . . 61 LEU H . 27911 1 352 . 1 . 1 62 62 LEU HA H 1 4.452 0.001 . 1 . . . . . 61 LEU HA . 27911 1 353 . 1 . 1 62 62 LEU C C 13 175.261 0.002 . 1 . . . . . 61 LEU C . 27911 1 354 . 1 . 1 62 62 LEU CA C 13 52.995 0.000 . 1 . . . . . 61 LEU CA . 27911 1 355 . 1 . 1 62 62 LEU CB C 13 41.538 0.000 . 1 . . . . . 61 LEU CB . 27911 1 356 . 1 . 1 62 62 LEU N N 15 125.009 0.008 . 1 . . . . . 61 LEU N . 27911 1 357 . 1 . 1 63 63 PRO HA H 1 4.343 0.001 . 1 . . . . . 62 PRO HA . 27911 1 358 . 1 . 1 63 63 PRO C C 13 176.864 0.004 . 1 . . . . . 62 PRO C . 27911 1 359 . 1 . 1 63 63 PRO CA C 13 63.062 0.026 . 1 . . . . . 62 PRO CA . 27911 1 360 . 1 . 1 63 63 PRO CB C 13 31.896 0.006 . 1 . . . . . 62 PRO CB . 27911 1 361 . 1 . 1 63 63 PRO N N 15 135.835 0.003 . 1 . . . . . 62 PRO N . 27911 1 362 . 1 . 1 64 64 THR H H 1 7.968 0.001 . 1 . . . . . 63 THR H . 27911 1 363 . 1 . 1 64 64 THR HA H 1 4.110 0.002 . 1 . . . . . 63 THR HA . 27911 1 364 . 1 . 1 64 64 THR C C 13 173.995 0.003 . 1 . . . . . 63 THR C . 27911 1 365 . 1 . 1 64 64 THR CA C 13 61.595 0.029 . 1 . . . . . 63 THR CA . 27911 1 366 . 1 . 1 64 64 THR CB C 13 69.715 0.016 . 1 . . . . . 63 THR CB . 27911 1 367 . 1 . 1 64 64 THR N N 15 114.104 0.009 . 1 . . . . . 63 THR N . 27911 1 368 . 1 . 1 65 65 ALA H H 1 8.091 0.001 . 1 . . . . . 64 ALA H . 27911 1 369 . 1 . 1 65 65 ALA HA H 1 4.181 0.002 . 1 . . . . . 64 ALA HA . 27911 1 370 . 1 . 1 65 65 ALA C C 13 176.740 0.007 . 1 . . . . . 64 ALA C . 27911 1 371 . 1 . 1 65 65 ALA CA C 13 51.971 0.020 . 1 . . . . . 64 ALA CA . 27911 1 372 . 1 . 1 65 65 ALA CB C 13 19.412 0.010 . 1 . . . . . 64 ALA CB . 27911 1 373 . 1 . 1 65 65 ALA N N 15 126.593 0.008 . 1 . . . . . 64 ALA N . 27911 1 374 . 1 . 1 66 66 ALA H H 1 8.165 0.001 . 1 . . . . . 65 ALA H . 27911 1 375 . 1 . 1 66 66 ALA HA H 1 4.427 0.000 . 1 . . . . . 65 ALA HA . 27911 1 376 . 1 . 1 66 66 ALA C C 13 175.507 0.005 . 1 . . . . . 65 ALA C . 27911 1 377 . 1 . 1 66 66 ALA CA C 13 50.270 0.000 . 1 . . . . . 65 ALA CA . 27911 1 378 . 1 . 1 66 66 ALA CB C 13 18.157 0.000 . 1 . . . . . 65 ALA CB . 27911 1 379 . 1 . 1 66 66 ALA N N 15 124.996 0.007 . 1 . . . . . 65 ALA N . 27911 1 380 . 1 . 1 67 67 PRO HA H 1 4.256 0.001 . 1 . . . . . 66 PRO HA . 27911 1 381 . 1 . 1 67 67 PRO C C 13 176.516 0.004 . 1 . . . . . 66 PRO C . 27911 1 382 . 1 . 1 67 67 PRO CA C 13 63.031 0.030 . 1 . . . . . 66 PRO CA . 27911 1 383 . 1 . 1 67 67 PRO CB C 13 31.852 0.041 . 1 . . . . . 66 PRO CB . 27911 1 384 . 1 . 1 67 67 PRO N N 15 135.309 0.004 . 1 . . . . . 66 PRO N . 27911 1 385 . 1 . 1 68 68 ASP H H 1 8.248 0.001 . 1 . . . . . 67 ASP H . 27911 1 386 . 1 . 1 68 68 ASP HA H 1 4.395 0.001 . 1 . . . . . 67 ASP HA . 27911 1 387 . 1 . 1 68 68 ASP C C 13 176.184 0.004 . 1 . . . . . 67 ASP C . 27911 1 388 . 1 . 1 68 68 ASP CA C 13 54.186 0.012 . 1 . . . . . 67 ASP CA . 27911 1 389 . 1 . 1 68 68 ASP CB C 13 41.059 0.017 . 1 . . . . . 67 ASP CB . 27911 1 390 . 1 . 1 68 68 ASP N N 15 120.017 0.007 . 1 . . . . . 67 ASP N . 27911 1 391 . 1 . 1 69 69 LYS H H 1 8.107 0.002 . 1 . . . . . 68 LYS H . 27911 1 392 . 1 . 1 69 69 LYS HA H 1 4.235 0.000 . 1 . . . . . 68 LYS HA . 27911 1 393 . 1 . 1 69 69 LYS C C 13 176.508 0.014 . 1 . . . . . 68 LYS C . 27911 1 394 . 1 . 1 69 69 LYS CA C 13 56.180 0.030 . 1 . . . . . 68 LYS CA . 27911 1 395 . 1 . 1 69 69 LYS CB C 13 32.737 0.056 . 1 . . . . . 68 LYS CB . 27911 1 396 . 1 . 1 69 69 LYS N N 15 121.515 0.008 . 1 . . . . . 68 LYS N . 27911 1 397 . 1 . 1 70 70 THR H H 1 8.090 0.001 . 1 . . . . . 69 THR H . 27911 1 398 . 1 . 1 70 70 THR HA H 1 4.133 0.002 . 1 . . . . . 69 THR HA . 27911 1 399 . 1 . 1 70 70 THR C C 13 174.402 0.004 . 1 . . . . . 69 THR C . 27911 1 400 . 1 . 1 70 70 THR CA C 13 62.298 0.021 . 1 . . . . . 69 THR CA . 27911 1 401 . 1 . 1 70 70 THR CB C 13 69.648 0.013 . 1 . . . . . 69 THR CB . 27911 1 402 . 1 . 1 70 70 THR N N 15 115.560 0.008 . 1 . . . . . 69 THR N . 27911 1 403 . 1 . 1 71 71 GLU H H 1 8.267 0.001 . 1 . . . . . 70 GLU H . 27911 1 404 . 1 . 1 71 71 GLU HA H 1 4.196 0.001 . 1 . . . . . 70 GLU HA . 27911 1 405 . 1 . 1 71 71 GLU C C 13 176.168 0.005 . 1 . . . . . 70 GLU C . 27911 1 406 . 1 . 1 71 71 GLU CA C 13 56.409 0.026 . 1 . . . . . 70 GLU CA . 27911 1 407 . 1 . 1 71 71 GLU CB C 13 30.323 0.005 . 1 . . . . . 70 GLU CB . 27911 1 408 . 1 . 1 71 71 GLU N N 15 123.542 0.005 . 1 . . . . . 70 GLU N . 27911 1 409 . 1 . 1 72 72 VAL H H 1 8.115 0.003 . 1 . . . . . 71 VAL H . 27911 1 410 . 1 . 1 72 72 VAL HA H 1 4.046 0.001 . 1 . . . . . 71 VAL HA . 27911 1 411 . 1 . 1 72 72 VAL C C 13 176.242 0.008 . 1 . . . . . 71 VAL C . 27911 1 412 . 1 . 1 72 72 VAL CA C 13 62.290 0.040 . 1 . . . . . 71 VAL CA . 27911 1 413 . 1 . 1 72 72 VAL CB C 13 32.479 0.041 . 1 . . . . . 71 VAL CB . 27911 1 414 . 1 . 1 72 72 VAL N N 15 121.515 0.009 . 1 . . . . . 71 VAL N . 27911 1 415 . 1 . 1 73 73 THR H H 1 8.091 0.001 . 1 . . . . . 72 THR H . 27911 1 416 . 1 . 1 73 73 THR HA H 1 4.241 0.001 . 1 . . . . . 72 THR HA . 27911 1 417 . 1 . 1 73 73 THR C C 13 174.870 0.004 . 1 . . . . . 72 THR C . 27911 1 418 . 1 . 1 73 73 THR CA C 13 61.678 0.050 . 1 . . . . . 72 THR CA . 27911 1 419 . 1 . 1 73 73 THR CB C 13 69.824 0.015 . 1 . . . . . 72 THR CB . 27911 1 420 . 1 . 1 73 73 THR N N 15 117.534 0.005 . 1 . . . . . 72 THR N . 27911 1 421 . 1 . 1 74 74 GLY H H 1 8.221 0.001 . 1 . . . . . 73 GLY H . 27911 1 422 . 1 . 1 74 74 GLY HA2 H 1 3.832 0.000 . 1 . . . . . 73 GLY HA . 27911 1 423 . 1 . 1 74 74 GLY HA3 H 1 3.832 0.000 . 1 . . . . . 73 GLY HA . 27911 1 424 . 1 . 1 74 74 GLY C C 13 173.626 0.005 . 1 . . . . . 73 GLY C . 27911 1 425 . 1 . 1 74 74 GLY CA C 13 45.177 0.010 . 1 . . . . . 73 GLY CA . 27911 1 426 . 1 . 1 74 74 GLY N N 15 110.697 0.007 . 1 . . . . . 73 GLY N . 27911 1 427 . 1 . 1 75 75 ASP H H 1 8.095 0.001 . 1 . . . . . 74 ASP H . 27911 1 428 . 1 . 1 75 75 ASP HA H 1 4.411 0.001 . 1 . . . . . 74 ASP HA . 27911 1 429 . 1 . 1 75 75 ASP C C 13 175.761 0.003 . 1 . . . . . 74 ASP C . 27911 1 430 . 1 . 1 75 75 ASP CA C 13 54.249 0.020 . 1 . . . . . 74 ASP CA . 27911 1 431 . 1 . 1 75 75 ASP CB C 13 41.004 0.012 . 1 . . . . . 74 ASP CB . 27911 1 432 . 1 . 1 75 75 ASP N N 15 120.042 0.005 . 1 . . . . . 74 ASP N . 27911 1 433 . 1 . 1 76 76 HIS H H 1 8.142 0.001 . 1 . . . . . 75 HIS H . 27911 1 434 . 1 . 1 76 76 HIS HA H 1 4.443 0.001 . 1 . . . . . 75 HIS HA . 27911 1 435 . 1 . 1 76 76 HIS C C 13 174.543 0.002 . 1 . . . . . 75 HIS C . 27911 1 436 . 1 . 1 76 76 HIS CA C 13 55.857 0.018 . 1 . . . . . 75 HIS CA . 27911 1 437 . 1 . 1 76 76 HIS CB C 13 30.213 0.017 . 1 . . . . . 75 HIS CB . 27911 1 438 . 1 . 1 76 76 HIS N N 15 119.148 0.006 . 1 . . . . . 75 HIS N . 27911 1 439 . 1 . 1 77 77 ILE H H 1 7.920 0.001 . 1 . . . . . 76 ILE H . 27911 1 440 . 1 . 1 77 77 ILE HA H 1 4.247 0.001 . 1 . . . . . 76 ILE HA . 27911 1 441 . 1 . 1 77 77 ILE C C 13 174.161 0.003 . 1 . . . . . 76 ILE C . 27911 1 442 . 1 . 1 77 77 ILE CA C 13 58.361 0.000 . 1 . . . . . 76 ILE CA . 27911 1 443 . 1 . 1 77 77 ILE CB C 13 38.324 0.000 . 1 . . . . . 76 ILE CB . 27911 1 444 . 1 . 1 77 77 ILE N N 15 124.917 0.006 . 1 . . . . . 76 ILE N . 27911 1 445 . 1 . 1 78 78 PRO HA H 1 4.310 0.003 . 1 . . . . . 77 PRO HA . 27911 1 446 . 1 . 1 78 78 PRO C C 13 176.578 0.005 . 1 . . . . . 77 PRO C . 27911 1 447 . 1 . 1 78 78 PRO CA C 13 62.855 0.012 . 1 . . . . . 77 PRO CA . 27911 1 448 . 1 . 1 78 78 PRO CB C 13 32.062 0.030 . 1 . . . . . 77 PRO CB . 27911 1 449 . 1 . 1 78 78 PRO N N 15 139.446 0.002 . 1 . . . . . 77 PRO N . 27911 1 450 . 1 . 1 79 79 THR H H 1 8.225 0.006 . 1 . . . . . 78 THR H . 27911 1 451 . 1 . 1 79 79 THR HA H 1 4.446 0.001 . 1 . . . . . 78 THR HA . 27911 1 452 . 1 . 1 79 79 THR C C 13 173.261 0.073 . 1 . . . . . 78 THR C . 27911 1 453 . 1 . 1 79 79 THR CA C 13 59.807 0.000 . 1 . . . . . 78 THR CA . 27911 1 454 . 1 . 1 79 79 THR CB C 13 69.614 0.000 . 1 . . . . . 78 THR CB . 27911 1 455 . 1 . 1 79 79 THR N N 15 116.928 0.079 . 1 . . . . . 78 THR N . 27911 1 456 . 1 . 1 80 80 PRO HA H 1 4.238 0.000 . 1 . . . . . 79 PRO HA . 27911 1 457 . 1 . 1 80 80 PRO C C 13 176.927 0.004 . 1 . . . . . 79 PRO C . 27911 1 458 . 1 . 1 80 80 PRO CA C 13 63.562 0.004 . 1 . . . . . 79 PRO CA . 27911 1 459 . 1 . 1 80 80 PRO CB C 13 31.946 0.006 . 1 . . . . . 79 PRO CB . 27911 1 460 . 1 . 1 80 80 PRO N N 15 138.566 0.001 . 1 . . . . . 79 PRO N . 27911 1 461 . 1 . 1 81 81 GLN H H 1 8.241 0.001 . 1 . . . . . 80 GLN H . 27911 1 462 . 1 . 1 81 81 GLN HA H 1 4.131 0.001 . 1 . . . . . 80 GLN HA . 27911 1 463 . 1 . 1 81 81 GLN C C 13 175.507 0.003 . 1 . . . . . 80 GLN C . 27911 1 464 . 1 . 1 81 81 GLN CA C 13 55.839 0.026 . 1 . . . . . 80 GLN CA . 27911 1 465 . 1 . 1 81 81 GLN CB C 13 29.489 0.044 . 1 . . . . . 80 GLN CB . 27911 1 466 . 1 . 1 81 81 GLN N N 15 119.574 0.008 . 1 . . . . . 80 GLN N . 27911 1 467 . 1 . 1 82 82 ASP H H 1 8.114 0.002 . 1 . . . . . 81 ASP H . 27911 1 468 . 1 . 1 82 82 ASP HA H 1 4.439 0.001 . 1 . . . . . 81 ASP HA . 27911 1 469 . 1 . 1 82 82 ASP C C 13 175.589 0.002 . 1 . . . . . 81 ASP C . 27911 1 470 . 1 . 1 82 82 ASP CA C 13 54.145 0.005 . 1 . . . . . 81 ASP CA . 27911 1 471 . 1 . 1 82 82 ASP CB C 13 40.955 0.064 . 1 . . . . . 81 ASP CB . 27911 1 472 . 1 . 1 82 82 ASP N N 15 120.983 0.033 . 1 . . . . . 81 ASP N . 27911 1 473 . 1 . 1 83 83 LEU H H 1 7.901 0.001 . 1 . . . . . 82 LEU H . 27911 1 474 . 1 . 1 83 83 LEU HA H 1 4.434 0.001 . 1 . . . . . 82 LEU HA . 27911 1 475 . 1 . 1 83 83 LEU C C 13 175.131 0.004 . 1 . . . . . 82 LEU C . 27911 1 476 . 1 . 1 83 83 LEU CA C 13 55.355 0.000 . 1 . . . . . 82 LEU CA . 27911 1 477 . 1 . 1 83 83 LEU CB C 13 41.708 0.000 . 1 . . . . . 82 LEU CB . 27911 1 478 . 1 . 1 83 83 LEU N N 15 123.176 0.009 . 1 . . . . . 82 LEU N . 27911 1 479 . 1 . 1 84 84 PRO HA H 1 4.244 0.001 . 1 . . . . . 83 PRO HA . 27911 1 480 . 1 . 1 84 84 PRO C C 13 176.829 0.007 . 1 . . . . . 83 PRO C . 27911 1 481 . 1 . 1 84 84 PRO CA C 13 63.123 0.011 . 1 . . . . . 83 PRO CA . 27911 1 482 . 1 . 1 84 84 PRO CB C 13 31.843 0.005 . 1 . . . . . 83 PRO CB . 27911 1 483 . 1 . 1 84 84 PRO N N 15 136.097 0.002 . 1 . . . . . 83 PRO N . 27911 1 484 . 1 . 1 85 85 GLN H H 1 8.280 0.001 . 1 . . . . . 84 GLN H . 27911 1 485 . 1 . 1 85 85 GLN HA H 1 4.130 0.000 . 1 . . . . . 84 GLN HA . 27911 1 486 . 1 . 1 85 85 GLN C C 13 175.836 0.002 . 1 . . . . . 84 GLN C . 27911 1 487 . 1 . 1 85 85 GLN CA C 13 55.635 0.072 . 1 . . . . . 84 GLN CA . 27911 1 488 . 1 . 1 85 85 GLN CB C 13 29.395 0.025 . 1 . . . . . 84 GLN CB . 27911 1 489 . 1 . 1 85 85 GLN N N 15 120.113 0.011 . 1 . . . . . 84 GLN N . 27911 1 490 . 1 . 1 86 86 ARG H H 1 8.196 0.001 . 1 . . . . . 85 ARG H . 27911 1 491 . 1 . 1 86 86 ARG HA H 1 4.165 0.001 . 1 . . . . . 85 ARG HA . 27911 1 492 . 1 . 1 86 86 ARG C C 13 175.834 0.006 . 1 . . . . . 85 ARG C . 27911 1 493 . 1 . 1 86 86 ARG CA C 13 55.745 0.032 . 1 . . . . . 85 ARG CA . 27911 1 494 . 1 . 1 86 86 ARG CB C 13 30.742 0.024 . 1 . . . . . 85 ARG CB . 27911 1 495 . 1 . 1 86 86 ARG N N 15 122.583 0.008 . 1 . . . . . 85 ARG N . 27911 1 496 . 1 . 1 87 87 LYS H H 1 8.280 0.001 . 1 . . . . . 86 LYS H . 27911 1 497 . 1 . 1 87 87 LYS HA H 1 4.441 0.002 . 1 . . . . . 86 LYS HA . 27911 1 498 . 1 . 1 87 87 LYS C C 13 174.383 0.008 . 1 . . . . . 86 LYS C . 27911 1 499 . 1 . 1 87 87 LYS CA C 13 54.177 0.000 . 1 . . . . . 86 LYS CA . 27911 1 500 . 1 . 1 87 87 LYS CB C 13 32.383 0.000 . 1 . . . . . 86 LYS CB . 27911 1 501 . 1 . 1 87 87 LYS N N 15 124.493 0.016 . 1 . . . . . 86 LYS N . 27911 1 502 . 1 . 1 88 88 PRO HA H 1 4.277 0.005 . 1 . . . . . 87 PRO HA . 27911 1 503 . 1 . 1 88 88 PRO C C 13 176.747 0.005 . 1 . . . . . 87 PRO C . 27911 1 504 . 1 . 1 88 88 PRO CA C 13 63.085 0.000 . 1 . . . . . 87 PRO CA . 27911 1 505 . 1 . 1 88 88 PRO CB C 13 31.966 0.031 . 1 . . . . . 87 PRO CB . 27911 1 506 . 1 . 1 88 88 PRO N N 15 136.882 0.013 . 1 . . . . . 87 PRO N . 27911 1 507 . 1 . 1 89 89 SER H H 1 8.256 0.002 . 1 . . . . . 88 SER H . 27911 1 508 . 1 . 1 89 89 SER HA H 1 4.263 0.002 . 1 . . . . . 88 SER HA . 27911 1 509 . 1 . 1 89 89 SER C C 13 174.445 0.003 . 1 . . . . . 88 SER C . 27911 1 510 . 1 . 1 89 89 SER CA C 13 58.184 0.020 . 1 . . . . . 88 SER CA . 27911 1 511 . 1 . 1 89 89 SER CB C 13 63.635 0.054 . 1 . . . . . 88 SER CB . 27911 1 512 . 1 . 1 89 89 SER N N 15 116.027 0.014 . 1 . . . . . 88 SER N . 27911 1 513 . 1 . 1 90 90 LEU H H 1 8.170 0.001 . 1 . . . . . 89 LEU H . 27911 1 514 . 1 . 1 90 90 LEU HA H 1 4.235 0.002 . 1 . . . . . 89 LEU HA . 27911 1 515 . 1 . 1 90 90 LEU C C 13 177.163 0.007 . 1 . . . . . 89 LEU C . 27911 1 516 . 1 . 1 90 90 LEU CA C 13 55.291 0.018 . 1 . . . . . 89 LEU CA . 27911 1 517 . 1 . 1 90 90 LEU CB C 13 42.220 0.014 . 1 . . . . . 89 LEU CB . 27911 1 518 . 1 . 1 90 90 LEU N N 15 124.495 0.008 . 1 . . . . . 89 LEU N . 27911 1 519 . 1 . 1 91 91 VAL H H 1 7.905 0.001 . 1 . . . . . 90 VAL H . 27911 1 520 . 1 . 1 91 91 VAL HA H 1 3.916 0.001 . 1 . . . . . 90 VAL HA . 27911 1 521 . 1 . 1 91 91 VAL C C 13 175.768 0.002 . 1 . . . . . 90 VAL C . 27911 1 522 . 1 . 1 91 91 VAL CA C 13 62.237 0.004 . 1 . . . . . 90 VAL CA . 27911 1 523 . 1 . 1 91 91 VAL CB C 13 32.537 0.016 . 1 . . . . . 90 VAL CB . 27911 1 524 . 1 . 1 91 91 VAL N N 15 120.902 0.008 . 1 . . . . . 90 VAL N . 27911 1 525 . 1 . 1 92 92 ALA H H 1 8.208 0.001 . 1 . . . . . 91 ALA H . 27911 1 526 . 1 . 1 92 92 ALA HA H 1 4.162 0.002 . 1 . . . . . 91 ALA HA . 27911 1 527 . 1 . 1 92 92 ALA C C 13 177.633 0.004 . 1 . . . . . 91 ALA C . 27911 1 528 . 1 . 1 92 92 ALA CA C 13 52.596 0.017 . 1 . . . . . 91 ALA CA . 27911 1 529 . 1 . 1 92 92 ALA CB C 13 19.069 0.003 . 1 . . . . . 91 ALA CB . 27911 1 530 . 1 . 1 92 92 ALA N N 15 127.840 0.010 . 1 . . . . . 91 ALA N . 27911 1 531 . 1 . 1 93 93 SER H H 1 8.092 0.001 . 1 . . . . . 92 SER H . 27911 1 532 . 1 . 1 93 93 SER HA H 1 4.239 0.002 . 1 . . . . . 92 SER HA . 27911 1 533 . 1 . 1 93 93 SER C C 13 174.433 0.005 . 1 . . . . . 92 SER C . 27911 1 534 . 1 . 1 93 93 SER CA C 13 58.365 0.034 . 1 . . . . . 92 SER CA . 27911 1 535 . 1 . 1 93 93 SER CB C 13 63.687 0.017 . 1 . . . . . 92 SER CB . 27911 1 536 . 1 . 1 93 93 SER N N 15 115.165 0.015 . 1 . . . . . 92 SER N . 27911 1 537 . 1 . 1 94 94 LYS H H 1 8.160 0.003 . 1 . . . . . 93 LYS H . 27911 1 538 . 1 . 1 94 94 LYS HA H 1 4.187 0.002 . 1 . . . . . 93 LYS HA . 27911 1 539 . 1 . 1 94 94 LYS C C 13 176.316 0.004 . 1 . . . . . 93 LYS C . 27911 1 540 . 1 . 1 94 94 LYS CA C 13 56.231 0.053 . 1 . . . . . 93 LYS CA . 27911 1 541 . 1 . 1 94 94 LYS CB C 13 32.811 0.039 . 1 . . . . . 93 LYS CB . 27911 1 542 . 1 . 1 94 94 LYS N N 15 123.070 0.012 . 1 . . . . . 93 LYS N . 27911 1 543 . 1 . 1 95 95 LEU H H 1 8.054 0.001 . 1 . . . . . 94 LEU H . 27911 1 544 . 1 . 1 95 95 LEU HA H 1 4.174 0.001 . 1 . . . . . 94 LEU HA . 27911 1 545 . 1 . 1 95 95 LEU C C 13 176.847 0.003 . 1 . . . . . 94 LEU C . 27911 1 546 . 1 . 1 95 95 LEU CA C 13 55.162 0.027 . 1 . . . . . 94 LEU CA . 27911 1 547 . 1 . 1 95 95 LEU CB C 13 42.177 0.023 . 1 . . . . . 94 LEU CB . 27911 1 548 . 1 . 1 95 95 LEU N N 15 123.191 0.007 . 1 . . . . . 94 LEU N . 27911 1 549 . 1 . 1 96 96 ALA H H 1 8.062 0.001 . 1 . . . . . 95 ALA H . 27911 1 550 . 1 . 1 96 96 ALA HA H 1 4.192 0.001 . 1 . . . . . 95 ALA HA . 27911 1 551 . 1 . 1 96 96 ALA C C 13 176.791 0.002 . 1 . . . . . 95 ALA C . 27911 1 552 . 1 . 1 96 96 ALA CA C 13 52.317 0.013 . 1 . . . . . 95 ALA CA . 27911 1 553 . 1 . 1 96 96 ALA CB C 13 19.399 0.013 . 1 . . . . . 95 ALA CB . 27911 1 554 . 1 . 1 96 96 ALA N N 15 124.835 0.008 . 1 . . . . . 95 ALA N . 27911 1 555 . 1 . 1 97 97 GLY H H 1 7.717 0.001 . 1 . . . . . 96 GLY H . 27911 1 556 . 1 . 1 97 97 GLY HA2 H 1 3.595 0.001 . 1 . . . . . 96 GLY HA . 27911 1 557 . 1 . 1 97 97 GLY HA3 H 1 3.595 0.001 . 1 . . . . . 96 GLY HA . 27911 1 558 . 1 . 1 97 97 GLY C C 13 178.964 0.014 . 1 . . . . . 96 GLY C . 27911 1 559 . 1 . 1 97 97 GLY CA C 13 45.963 0.000 . 1 . . . . . 96 GLY CA . 27911 1 560 . 1 . 1 97 97 GLY N N 15 114.312 0.009 . 1 . . . . . 96 GLY N . 27911 1 stop_ save_