data_19815 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19815 _Entry.Title ; NMR Assignment of Coiled Coil Domain of Myosin Binding Subunit of Myosin Light Chain Phosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-24 _Entry.Accession_date 2014-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR Assignment' _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.Entry_ID 1 ALOK SHARMA . K. . 19815 2 ALAN RIGBY . C. . 19815 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19815 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 346 19815 '13C chemical shifts' 206 19815 '15N chemical shifts' 50 19815 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 4 . . 2015-02-11 2014-02-24 update author 'update chemical shifts' 19815 3 . . 2015-01-29 2014-02-24 update author 'update chemical shifts, entry assembly, etc.' 19815 2 . . 2014-05-28 2014-02-24 update BMRB 'update entry citation' 19815 1 . . 2014-03-24 2014-02-24 original author 'original release' 19815 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19815 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24693955 _Citation.Full_citation . _Citation.Title 'NMR Assignment and Secondary Structure of Coiled Coil Domain of C-terminal Myosin Binding Subunit of Myosin Phosphatase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Pept. Lett.' _Citation.Journal_name_full 'Protein and peptide letters' _Citation.Journal_volume 21 _Citation.Journal_issue 7 _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 639 _Citation.Page_last 645 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Alok Sharma . K. . 19815 1 2 Alan Rigby . C. . 19815 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19815 _Assembly.ID 1 _Assembly.Name 'COILED COIL DOMAIN OF Protein phosphatase 1 regulatory subunit 12A' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'SUBUNIT 12A, 1' 1 $COILED_COIL_DOMAIN_OF_MLCP A . yes native no no . . . 19815 1 2 'SUBUNIT 12A, 2' 1 $COILED_COIL_DOMAIN_OF_MLCP B . no native no no . . . 19815 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_COILED_COIL_DOMAIN_OF_MLCP _Entity.Sf_category entity _Entity.Sf_framecode COILED_COIL_DOMAIN_OF_MLCP _Entity.Entry_ID 19815 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name COILED_COIL_DOMAIN_OF_MLCP _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 ; DFKKLYEQILAENEKLKAQL HDTNMELTDLKLQLEKATQR QERFADRSLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MXR . "Solution Structure Of Coiled Coil Domain Of Myosin Binding Subunit Of Myosin Light Chain Phosphatase" . . . . . 100.00 56 100.00 100.00 7.74e-25 . . . . 19815 1 2 no DBJ BAA07201 . "133kDa myosin-binding subunit of smooth muscle myosin phosphatase (M133) [Gallus gallus]" . . . . . 100.00 1004 98.00 98.00 1.53e-22 . . . . 19815 1 3 no DBJ BAA07202 . "130 kDa myosin-binding subunit of smooth muscle myosin phophatase (M130) [Gallus gallus]" . . . . . 100.00 963 98.00 98.00 1.81e-22 . . . . 19815 1 4 no DBJ BAA22378 . "myosin phosphatase target subunit 1 [Homo sapiens]" . . . . . 100.00 1030 100.00 100.00 4.55e-23 . . . . 19815 1 5 no DBJ BAB23563 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1004 98.00 98.00 3.25e-22 . . . . 19815 1 6 no DBJ BAC28990 . "unnamed protein product [Mus musculus]" . . . . . 100.00 599 98.00 98.00 3.11e-23 . . . . 19815 1 7 no EMBL CAH91185 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 604 98.00 98.00 3.20e-23 . . . . 19815 1 8 no GB AAB32730 . "PP1M M110 subunit, partial [Gallus gallus]" . . . . . 100.00 324 98.00 98.00 7.92e-24 . . . . 19815 1 9 no GB AAB32731 . "PP1M M110 [Rattus sp.]" . . . . . 100.00 976 100.00 100.00 6.73e-23 . . . . 19815 1 10 no GB AAI11753 . "PPP1R12A protein [Homo sapiens]" . . . . . 100.00 1030 100.00 100.00 4.55e-23 . . . . 19815 1 11 no GB AAI25382 . "Ppp1r12a protein [Mus musculus]" . . . . . 100.00 1029 98.00 98.00 3.76e-22 . . . . 19815 1 12 no GB AAI37631 . "Ppp1r12a protein [Mus musculus]" . . . . . 100.00 1029 98.00 98.00 3.76e-22 . . . . 19815 1 13 no REF NP_001137357 . "protein phosphatase 1 regulatory subunit 12A isoform a [Homo sapiens]" . . . . . 100.00 1030 100.00 100.00 4.55e-23 . . . . 19815 1 14 no REF NP_001137358 . "protein phosphatase 1 regulatory subunit 12A isoform b [Homo sapiens]" . . . . . 100.00 943 100.00 100.00 3.57e-23 . . . . 19815 1 15 no REF NP_001231921 . "protein phosphatase 1 regulatory subunit 12A isoform d [Homo sapiens]" . . . . . 100.00 974 100.00 100.00 6.46e-23 . . . . 19815 1 16 no REF NP_001253022 . "protein phosphatase 1 regulatory subunit 12A [Macaca mulatta]" . . . . . 100.00 1029 100.00 100.00 5.01e-23 . . . . 19815 1 17 no REF NP_002471 . "protein phosphatase 1 regulatory subunit 12A isoform a [Homo sapiens]" . . . . . 100.00 1030 100.00 100.00 4.55e-23 . . . . 19815 1 18 no SP O14974 . "RecName: Full=Protein phosphatase 1 regulatory subunit 12A; AltName: Full=Myosin phosphatase-targeting subunit 1; Short=Myosin " . . . . . 100.00 1030 100.00 100.00 4.55e-23 . . . . 19815 1 19 no SP Q10728 . "RecName: Full=Protein phosphatase 1 regulatory subunit 12A; AltName: Full=MBSP; AltName: Full=Myosin phosphatase-targeting subu" . . . . . 100.00 1032 100.00 100.00 5.59e-23 . . . . 19815 1 20 no SP Q90623 . "RecName: Full=Protein phosphatase 1 regulatory subunit 12A; AltName: Full=130 kDa myosin-binding subunit of smooth muscle myosi" . . . . . 100.00 1004 98.00 98.00 1.53e-22 . . . . 19815 1 21 no SP Q9DBR7 . "RecName: Full=Protein phosphatase 1 regulatory subunit 12A; AltName: Full=Myosin phosphatase-targeting subunit 1; Short=Myosin " . . . . . 100.00 1029 98.00 98.00 3.76e-22 . . . . 19815 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 1 931 ASP . 19815 1 2 932 PHE . 19815 1 3 933 LYS . 19815 1 4 934 LYS . 19815 1 5 935 LEU . 19815 1 6 936 TYR . 19815 1 7 937 GLU . 19815 1 8 938 GLN . 19815 1 9 939 ILE . 19815 1 10 940 LEU . 19815 1 11 941 ALA . 19815 1 12 942 GLU . 19815 1 13 943 ASN . 19815 1 14 944 GLU . 19815 1 15 945 LYS . 19815 1 16 946 LEU . 19815 1 17 947 LYS . 19815 1 18 948 ALA . 19815 1 19 949 GLN . 19815 1 20 950 LEU . 19815 1 21 951 HIS . 19815 1 22 952 ASP . 19815 1 23 953 THR . 19815 1 24 954 ASN . 19815 1 25 955 MET . 19815 1 26 956 GLU . 19815 1 27 957 LEU . 19815 1 28 958 THR . 19815 1 29 959 ASP . 19815 1 30 960 LEU . 19815 1 31 961 LYS . 19815 1 32 962 LEU . 19815 1 33 963 GLN . 19815 1 34 964 LEU . 19815 1 35 965 GLU . 19815 1 36 966 LYS . 19815 1 37 967 ALA . 19815 1 38 968 THR . 19815 1 39 969 GLN . 19815 1 40 970 ARG . 19815 1 41 971 GLN . 19815 1 42 972 GLU . 19815 1 43 973 ARG . 19815 1 44 974 PHE . 19815 1 45 975 ALA . 19815 1 46 976 ASP . 19815 1 47 977 ARG . 19815 1 48 978 SER . 19815 1 49 979 LEU . 19815 1 50 980 LEU . 19815 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 . ASP 1 1 19815 1 . PHE 2 2 19815 1 . LYS 3 3 19815 1 . LYS 4 4 19815 1 . LEU 5 5 19815 1 . TYR 6 6 19815 1 . GLU 7 7 19815 1 . GLN 8 8 19815 1 . ILE 9 9 19815 1 . LEU 10 10 19815 1 . ALA 11 11 19815 1 . GLU 12 12 19815 1 . ASN 13 13 19815 1 . GLU 14 14 19815 1 . LYS 15 15 19815 1 . LEU 16 16 19815 1 . LYS 17 17 19815 1 . ALA 18 18 19815 1 . GLN 19 19 19815 1 . LEU 20 20 19815 1 . HIS 21 21 19815 1 . ASP 22 22 19815 1 . THR 23 23 19815 1 . ASN 24 24 19815 1 . MET 25 25 19815 1 . GLU 26 26 19815 1 . LEU 27 27 19815 1 . THR 28 28 19815 1 . ASP 29 29 19815 1 . LEU 30 30 19815 1 . LYS 31 31 19815 1 . LEU 32 32 19815 1 . GLN 33 33 19815 1 . LEU 34 34 19815 1 . GLU 35 35 19815 1 . LYS 36 36 19815 1 . ALA 37 37 19815 1 . THR 38 38 19815 1 . GLN 39 39 19815 1 . ARG 40 40 19815 1 . GLN 41 41 19815 1 . GLU 42 42 19815 1 . ARG 43 43 19815 1 . PHE 44 44 19815 1 . ALA 45 45 19815 1 . ASP 46 46 19815 1 . ARG 47 47 19815 1 . SER 48 48 19815 1 . LEU 49 49 19815 1 . LEU 50 50 19815 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 19815 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $COILED_COIL_DOMAIN_OF_MLCP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19815 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 19815 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $COILED_COIL_DOMAIN_OF_MLCP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . Plasmid . . PET28A(+) . . . . . . 19815 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19815 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% 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 'COILED COIL DOMAIN OF MLCP' '[U-13C; U-15N]' . . 1 $COILED_COIL_DOMAIN_OF_MLCP . . 1.0 . . mM . . . . 19815 1 2 H2O 'natural abundance' . . . . . . 92 . . % . . . . 19815 1 3 D2O 'natural abundance' . . . . . . 8 . . % . . . . 19815 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 19815 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 19815 1 pH 7.0 . pH 19815 1 pressure 1 . atm 19815 1 temperature 303 . K 19815 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19815 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19815 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19815 1 processing 19815 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 19815 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19815 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19815 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 19815 _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 . . . . . . . . . . . . . . . . 19815 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19815 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 19815 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19815 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19815 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19815 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 19815 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19815 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19815 1 3 '3D HNCACB' 1 $sample_1 . 19815 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19815 1 5 '3D C(CO)NH' 1 $sample_1 . 19815 1 7 '3D HBHA(CO)NH' 1 $sample_1 . 19815 1 8 '3D HNCA' 1 $sample_1 . 19815 1 9 '3D HN(CO)CA' 1 $sample_1 . 19815 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP H H 1 8.070 0.000 . . . . . . 931 D H . 19815 1 2 . 1 1 1 1 ASP HA H 1 4.570 0.000 . . . . . . 931 D HA . 19815 1 3 . 1 1 1 1 ASP HB2 H 1 2.476 0.000 . . . . . . 931 D HB2 . 19815 1 4 . 1 1 1 1 ASP HB3 H 1 2.719 0.000 . . . . . . 931 D HB3 . 19815 1 5 . 1 1 1 1 ASP C C 13 176.310 0.000 . . . . . . 931 D C . 19815 1 6 . 1 1 1 1 ASP CA C 13 53.790 0.000 . . . . . . 931 D CA . 19815 1 7 . 1 1 1 1 ASP CB C 13 40.810 0.000 . . . . . . 931 D CB . 19815 1 8 . 1 1 1 1 ASP N N 15 122.650 0.000 . . . . . . 931 D N . 19815 1 9 . 1 1 2 2 PHE H H 1 8.143 0.029 . . . . . . 932 F H . 19815 1 10 . 1 1 2 2 PHE HA H 1 3.976 0.008 . . . . . . 932 F HA . 19815 1 11 . 1 1 2 2 PHE HB2 H 1 2.855 0.015 . . . . . . 932 F HB2 . 19815 1 12 . 1 1 2 2 PHE HB3 H 1 3.021 0.006 . . . . . . 932 F HB3 . 19815 1 13 . 1 1 2 2 PHE HD1 H 1 7.077 0.000 . . . . . . 932 F QD . 19815 1 14 . 1 1 2 2 PHE HD2 H 1 7.077 0.000 . . . . . . 932 F QD . 19815 1 15 . 1 1 2 2 PHE HE1 H 1 7.302 0.000 . . . . . . 932 F QE . 19815 1 16 . 1 1 2 2 PHE HE2 H 1 7.302 0.000 . . . . . . 932 F QE . 19815 1 17 . 1 1 2 2 PHE C C 13 176.250 0.000 . . . . . . 932 F C . 19815 1 18 . 1 1 2 2 PHE CA C 13 62.630 0.000 . . . . . . 932 F CA . 19815 1 19 . 1 1 2 2 PHE CB C 13 38.660 0.000 . . . . . . 932 F CB . 19815 1 20 . 1 1 2 2 PHE CD1 C 13 131.860 0.000 . . . . . . 932 F CD1 . 19815 1 21 . 1 1 2 2 PHE CE1 C 13 131.720 0.000 . . . . . . 932 F CE1 . 19815 1 22 . 1 1 2 2 PHE N N 15 119.946 0.185 . . . . . . 932 F N . 19815 1 23 . 1 1 3 3 LYS H H 1 8.081 0.025 . . . . . . 933 K H . 19815 1 24 . 1 1 3 3 LYS HA H 1 3.469 0.010 . . . . . . 933 K HA . 19815 1 25 . 1 1 3 3 LYS HB2 H 1 1.071 0.011 . . . . . . 933 K HB2 . 19815 1 26 . 1 1 3 3 LYS HB3 H 1 1.674 0.006 . . . . . . 933 K HB3 . 19815 1 27 . 1 1 3 3 LYS HG2 H 1 0.348 0.000 . . . . . . 933 K QG . 19815 1 28 . 1 1 3 3 LYS HG3 H 1 0.348 0.000 . . . . . . 933 K QG . 19815 1 29 . 1 1 3 3 LYS HD2 H 1 0.898 0.010 . . . . . . 933 K HD2 . 19815 1 30 . 1 1 3 3 LYS HD3 H 1 1.323 0.011 . . . . . . 933 K HD3 . 19815 1 31 . 1 1 3 3 LYS HE2 H 1 2.869 0.022 . . . . . . 933 K HE2 . 19815 1 32 . 1 1 3 3 LYS HE3 H 1 2.756 0.017 . . . . . . 933 K HE3 . 19815 1 33 . 1 1 3 3 LYS C C 13 177.260 0.000 . . . . . . 933 K C . 19815 1 34 . 1 1 3 3 LYS CA C 13 61.050 0.000 . . . . . . 933 K CA . 19815 1 35 . 1 1 3 3 LYS CB C 13 32.520 0.000 . . . . . . 933 K CB . 19815 1 36 . 1 1 3 3 LYS CG C 13 24.390 0.000 . . . . . . 933 K CG . 19815 1 37 . 1 1 3 3 LYS CD C 13 29.420 0.000 . . . . . . 933 K CD . 19815 1 38 . 1 1 3 3 LYS CE C 13 41.520 0.000 . . . . . . 933 K CE . 19815 1 39 . 1 1 3 3 LYS N N 15 121.572 0.271 . . . . . . 933 K N . 19815 1 40 . 1 1 4 4 LYS H H 1 7.331 0.050 . . . . . . 934 K H . 19815 1 41 . 1 1 4 4 LYS HA H 1 4.015 0.012 . . . . . . 934 K HA . 19815 1 42 . 1 1 4 4 LYS HB2 H 1 1.723 0.013 . . . . . . 934 K QB . 19815 1 43 . 1 1 4 4 LYS HB3 H 1 1.723 0.013 . . . . . . 934 K QB . 19815 1 44 . 1 1 4 4 LYS HG2 H 1 1.440 0.000 . . . . . . 934 K HG2 . 19815 1 45 . 1 1 4 4 LYS HG3 H 1 1.318 0.010 . . . . . . 934 K HG3 . 19815 1 46 . 1 1 4 4 LYS HD2 H 1 1.661 0.002 . . . . . . 934 K QD . 19815 1 47 . 1 1 4 4 LYS HD3 H 1 1.661 0.002 . . . . . . 934 K QD . 19815 1 48 . 1 1 4 4 LYS HE2 H 1 2.899 0.021 . . . . . . 934 K QE . 19815 1 49 . 1 1 4 4 LYS HE3 H 1 2.899 0.021 . . . . . . 934 K QE . 19815 1 50 . 1 1 4 4 LYS C C 13 179.800 0.000 . . . . . . 934 K C . 19815 1 51 . 1 1 4 4 LYS CA C 13 59.390 0.000 . . . . . . 934 K CA . 19815 1 52 . 1 1 4 4 LYS CB C 13 32.300 0.000 . . . . . . 934 K CB . 19815 1 53 . 1 1 4 4 LYS CG C 13 24.660 0.000 . . . . . . 934 K CG . 19815 1 54 . 1 1 4 4 LYS CD C 13 28.950 0.000 . . . . . . 934 K CD . 19815 1 55 . 1 1 4 4 LYS CE C 13 41.860 0.000 . . . . . . 934 K CE . 19815 1 56 . 1 1 4 4 LYS N N 15 118.264 0.106 . . . . . . 934 K N . 19815 1 57 . 1 1 5 5 LEU H H 1 7.696 0.022 . . . . . . 935 L H . 19815 1 58 . 1 1 5 5 LEU HA H 1 4.004 0.000 . . . . . . 935 L HA . 19815 1 59 . 1 1 5 5 LEU HB2 H 1 1.303 0.000 . . . . . . 935 L QB . 19815 1 60 . 1 1 5 5 LEU HB3 H 1 1.303 0.000 . . . . . . 935 L QB . 19815 1 61 . 1 1 5 5 LEU HG H 1 1.447 0.000 . . . . . . 935 L HG . 19815 1 62 . 1 1 5 5 LEU HD11 H 1 0.324 0.000 . . . . . . 935 L QD1 . 19815 1 63 . 1 1 5 5 LEU HD12 H 1 0.324 0.000 . . . . . . 935 L QD1 . 19815 1 64 . 1 1 5 5 LEU HD13 H 1 0.324 0.000 . . . . . . 935 L QD1 . 19815 1 65 . 1 1 5 5 LEU HD21 H 1 0.689 0.000 . . . . . . 935 L QD2 . 19815 1 66 . 1 1 5 5 LEU HD22 H 1 0.689 0.000 . . . . . . 935 L QD2 . 19815 1 67 . 1 1 5 5 LEU HD23 H 1 0.689 0.000 . . . . . . 935 L QD2 . 19815 1 68 . 1 1 5 5 LEU C C 13 179.280 0.000 . . . . . . 935 L C . 19815 1 69 . 1 1 5 5 LEU CA C 13 57.900 0.000 . . . . . . 935 L CA . 19815 1 70 . 1 1 5 5 LEU CB C 13 41.720 0.000 . . . . . . 935 L CB . 19815 1 71 . 1 1 5 5 LEU CG C 13 26.380 0.000 . . . . . . 935 L CG . 19815 1 72 . 1 1 5 5 LEU CD1 C 13 22.360 0.000 . . . . . . 935 L CD1 . 19815 1 73 . 1 1 5 5 LEU CD2 C 13 24.780 0.000 . . . . . . 935 L CD2 . 19815 1 74 . 1 1 5 5 LEU N N 15 119.092 0.204 . . . . . . 935 L N . 19815 1 75 . 1 1 6 6 TYR H H 1 8.627 0.037 . . . . . . 936 Y H . 19815 1 76 . 1 1 6 6 TYR HA H 1 4.476 0.010 . . . . . . 936 Y HA . 19815 1 77 . 1 1 6 6 TYR HB2 H 1 3.479 0.013 . . . . . . 936 Y QB . 19815 1 78 . 1 1 6 6 TYR HB3 H 1 3.479 0.013 . . . . . . 936 Y QB . 19815 1 79 . 1 1 6 6 TYR HD1 H 1 7.082 0.000 . . . . . . 936 Y QD . 19815 1 80 . 1 1 6 6 TYR HD2 H 1 7.082 0.000 . . . . . . 936 Y QD . 19815 1 81 . 1 1 6 6 TYR HE1 H 1 6.890 0.000 . . . . . . 936 Y QE . 19815 1 82 . 1 1 6 6 TYR HE2 H 1 6.890 0.000 . . . . . . 936 Y QE . 19815 1 83 . 1 1 6 6 TYR C C 13 175.360 0.000 . . . . . . 936 Y C . 19815 1 84 . 1 1 6 6 TYR CA C 13 61.560 0.000 . . . . . . 936 Y CA . 19815 1 85 . 1 1 6 6 TYR CB C 13 38.710 0.000 . . . . . . 936 Y CB . 19815 1 86 . 1 1 6 6 TYR CD1 C 13 133.380 0.000 . . . . . . 936 Y CD1 . 19815 1 87 . 1 1 6 6 TYR CD2 C 13 131.860 0.000 . . . . . . 936 Y CD2 . 19815 1 88 . 1 1 6 6 TYR CE1 C 13 118.560 0.000 . . . . . . 936 Y CE1 . 19815 1 89 . 1 1 6 6 TYR N N 15 119.920 0.193 . . . . . . 936 Y N . 19815 1 90 . 1 1 7 7 GLU H H 1 8.238 0.033 . . . . . . 937 E H . 19815 1 91 . 1 1 7 7 GLU HA H 1 3.546 0.018 . . . . . . 937 E HA . 19815 1 92 . 1 1 7 7 GLU HB2 H 1 1.948 0.010 . . . . . . 937 E HB2 . 19815 1 93 . 1 1 7 7 GLU HB3 H 1 2.677 0.011 . . . . . . 937 E HB3 . 19815 1 94 . 1 1 7 7 GLU HG2 H 1 2.213 0.024 . . . . . . 937 E QG . 19815 1 95 . 1 1 7 7 GLU HG3 H 1 2.213 0.024 . . . . . . 937 E QG . 19815 1 96 . 1 1 7 7 GLU C C 13 180.400 0.000 . . . . . . 937 E C . 19815 1 97 . 1 1 7 7 GLU CA C 13 60.010 0.000 . . . . . . 937 E CA . 19815 1 98 . 1 1 7 7 GLU CB C 13 29.300 0.000 . . . . . . 937 E CB . 19815 1 99 . 1 1 7 7 GLU CG C 13 36.850 0.000 . . . . . . 937 E CG . 19815 1 100 . 1 1 7 7 GLU N N 15 117.746 0.228 . . . . . . 937 E N . 19815 1 101 . 1 1 8 8 GLN H H 1 8.120 0.037 . . . . . . 938 Q H . 19815 1 102 . 1 1 8 8 GLN HA H 1 4.120 0.011 . . . . . . 938 Q HA . 19815 1 103 . 1 1 8 8 GLN HB2 H 1 2.222 0.008 . . . . . . 938 Q QB . 19815 1 104 . 1 1 8 8 GLN HB3 H 1 2.222 0.008 . . . . . . 938 Q QB . 19815 1 105 . 1 1 8 8 GLN HG2 H 1 2.303 0.000 . . . . . . 938 Q HG2 . 19815 1 106 . 1 1 8 8 GLN HG3 H 1 2.572 0.000 . . . . . . 938 Q HG3 . 19815 1 107 . 1 1 8 8 GLN HE21 H 1 6.700 0.058 . . . . . . 938 Q HE21 . 19815 1 108 . 1 1 8 8 GLN HE22 H 1 7.454 0.058 . . . . . . 938 Q HE22 . 19815 1 109 . 1 1 8 8 GLN C C 13 179.180 0.000 . . . . . . 938 Q C . 19815 1 110 . 1 1 8 8 GLN CA C 13 59.700 0.000 . . . . . . 938 Q CA . 19815 1 111 . 1 1 8 8 GLN CB C 13 28.990 0.000 . . . . . . 938 Q CB . 19815 1 112 . 1 1 8 8 GLN CG C 13 33.870 0.000 . . . . . . 938 Q CG . 19815 1 113 . 1 1 8 8 GLN N N 15 119.098 0.087 . . . . . . 938 Q N . 19815 1 114 . 1 1 8 8 GLN NE2 N 15 110.664 0.016 . . . . . . 938 Q NE2 . 19815 1 115 . 1 1 9 9 ILE H H 1 8.437 0.030 . . . . . . 939 I H . 19815 1 116 . 1 1 9 9 ILE HA H 1 4.090 0.000 . . . . . . 939 I HA . 19815 1 117 . 1 1 9 9 ILE HB H 1 2.093 0.005 . . . . . . 939 I HB . 19815 1 118 . 1 1 9 9 ILE HG12 H 1 1.544 0.011 . . . . . . 939 I HG12 . 19815 1 119 . 1 1 9 9 ILE HG13 H 1 1.623 0.022 . . . . . . 939 I HG13 . 19815 1 120 . 1 1 9 9 ILE HG21 H 1 1.119 0.000 . . . . . . 939 I QG2 . 19815 1 121 . 1 1 9 9 ILE HG22 H 1 1.119 0.000 . . . . . . 939 I QG2 . 19815 1 122 . 1 1 9 9 ILE HG23 H 1 1.119 0.000 . . . . . . 939 I QG2 . 19815 1 123 . 1 1 9 9 ILE HD11 H 1 0.872 0.000 . . . . . . 939 I QD1 . 19815 1 124 . 1 1 9 9 ILE HD12 H 1 0.872 0.000 . . . . . . 939 I QD1 . 19815 1 125 . 1 1 9 9 ILE HD13 H 1 0.872 0.000 . . . . . . 939 I QD1 . 19815 1 126 . 1 1 9 9 ILE C C 13 177.940 0.000 . . . . . . 939 I C . 19815 1 127 . 1 1 9 9 ILE CA C 13 63.360 0.000 . . . . . . 939 I CA . 19815 1 128 . 1 1 9 9 ILE CB C 13 37.030 0.000 . . . . . . 939 I CB . 19815 1 129 . 1 1 9 9 ILE CG1 C 13 28.780 0.000 . . . . . . 939 I CG1 . 19815 1 130 . 1 1 9 9 ILE CG2 C 13 19.170 0.000 . . . . . . 939 I CG2 . 19815 1 131 . 1 1 9 9 ILE CD1 C 13 12.860 0.000 . . . . . . 939 I CD1 . 19815 1 132 . 1 1 9 9 ILE N N 15 121.204 0.152 . . . . . . 939 I N . 19815 1 133 . 1 1 10 10 LEU H H 1 8.619 0.031 . . . . . . 940 L H . 19815 1 134 . 1 1 10 10 LEU HA H 1 3.918 0.010 . . . . . . 940 L HA . 19815 1 135 . 1 1 10 10 LEU HB2 H 1 1.522 0.011 . . . . . . 940 L HB2 . 19815 1 136 . 1 1 10 10 LEU HB3 H 1 1.250 0.013 . . . . . . 940 L HB3 . 19815 1 137 . 1 1 10 10 LEU HG H 1 1.420 0.011 . . . . . . 940 L HG . 19815 1 138 . 1 1 10 10 LEU HD11 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 139 . 1 1 10 10 LEU HD12 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 140 . 1 1 10 10 LEU HD13 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 141 . 1 1 10 10 LEU HD21 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 142 . 1 1 10 10 LEU HD22 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 143 . 1 1 10 10 LEU HD23 H 1 0.796 0.008 . . . . . . 940 L QQD . 19815 1 144 . 1 1 10 10 LEU C C 13 179.370 0.000 . . . . . . 940 L C . 19815 1 145 . 1 1 10 10 LEU CA C 13 58.580 0.000 . . . . . . 940 L CA . 19815 1 146 . 1 1 10 10 LEU CB C 13 42.310 0.000 . . . . . . 940 L CB . 19815 1 147 . 1 1 10 10 LEU CG C 13 26.110 0.000 . . . . . . 940 L CG . 19815 1 148 . 1 1 10 10 LEU CD1 C 13 24.190 0.000 . . . . . . 940 L CD1 . 19815 1 149 . 1 1 10 10 LEU CD2 C 13 24.190 0.000 . . . . . . 940 L CD2 . 19815 1 150 . 1 1 10 10 LEU N N 15 125.303 0.116 . . . . . . 940 L N . 19815 1 151 . 1 1 11 11 ALA H H 1 7.314 0.039 . . . . . . 941 A H . 19815 1 152 . 1 1 11 11 ALA HA H 1 4.174 0.015 . . . . . . 941 A HA . 19815 1 153 . 1 1 11 11 ALA HB1 H 1 1.507 0.010 . . . . . . 941 A QB . 19815 1 154 . 1 1 11 11 ALA HB2 H 1 1.507 0.010 . . . . . . 941 A QB . 19815 1 155 . 1 1 11 11 ALA HB3 H 1 1.507 0.010 . . . . . . 941 A QB . 19815 1 156 . 1 1 11 11 ALA C C 13 181.900 0.000 . . . . . . 941 A C . 19815 1 157 . 1 1 11 11 ALA CA C 13 55.370 0.000 . . . . . . 941 A CA . 19815 1 158 . 1 1 11 11 ALA CB C 13 17.830 0.000 . . . . . . 941 A CB . 19815 1 159 . 1 1 11 11 ALA N N 15 120.124 0.161 . . . . . . 941 A N . 19815 1 160 . 1 1 12 12 GLU H H 1 7.704 0.024 . . . . . . 942 E H . 19815 1 161 . 1 1 12 12 GLU HA H 1 4.069 0.005 . . . . . . 942 E HA . 19815 1 162 . 1 1 12 12 GLU HB2 H 1 2.192 0.000 . . . . . . 942 E QB . 19815 1 163 . 1 1 12 12 GLU HB3 H 1 2.192 0.000 . . . . . . 942 E QB . 19815 1 164 . 1 1 12 12 GLU HG2 H 1 2.368 0.000 . . . . . . 942 E QG . 19815 1 165 . 1 1 12 12 GLU HG3 H 1 2.368 0.000 . . . . . . 942 E QG . 19815 1 166 . 1 1 12 12 GLU C C 13 178.230 0.000 . . . . . . 942 E C . 19815 1 167 . 1 1 12 12 GLU CA C 13 59.580 0.000 . . . . . . 942 E CA . 19815 1 168 . 1 1 12 12 GLU CB C 13 29.740 0.000 . . . . . . 942 E CB . 19815 1 169 . 1 1 12 12 GLU CG C 13 36.200 0.000 . . . . . . 942 E CG . 19815 1 170 . 1 1 12 12 GLU N N 15 119.987 0.278 . . . . . . 942 E N . 19815 1 171 . 1 1 13 13 ASN H H 1 8.822 0.050 . . . . . . 943 N H . 19815 1 172 . 1 1 13 13 ASN HA H 1 4.320 0.009 . . . . . . 943 N HA . 19815 1 173 . 1 1 13 13 ASN HB2 H 1 2.865 0.010 . . . . . . 943 N HB2 . 19815 1 174 . 1 1 13 13 ASN HB3 H 1 3.196 0.012 . . . . . . 943 N HB3 . 19815 1 175 . 1 1 13 13 ASN HD21 H 1 6.878 0.055 . . . . . . 943 N HD21 . 19815 1 176 . 1 1 13 13 ASN HD22 H 1 7.575 0.057 . . . . . . 943 N HD22 . 19815 1 177 . 1 1 13 13 ASN C C 13 177.010 0.000 . . . . . . 943 N C . 19815 1 178 . 1 1 13 13 ASN CA C 13 57.610 0.000 . . . . . . 943 N CA . 19815 1 179 . 1 1 13 13 ASN CB C 13 39.220 0.000 . . . . . . 943 N CB . 19815 1 180 . 1 1 13 13 ASN N N 15 120.781 0.256 . . . . . . 943 N N . 19815 1 181 . 1 1 14 14 GLU H H 1 8.017 0.033 . . . . . . 944 E H . 19815 1 182 . 1 1 14 14 GLU HA H 1 3.958 0.013 . . . . . . 944 E HA . 19815 1 183 . 1 1 14 14 GLU HB2 H 1 2.145 0.018 . . . . . . 944 E QB . 19815 1 184 . 1 1 14 14 GLU HB3 H 1 2.145 0.018 . . . . . . 944 E QB . 19815 1 185 . 1 1 14 14 GLU HG2 H 1 2.320 0.010 . . . . . . 944 E HG2 . 19815 1 186 . 1 1 14 14 GLU HG3 H 1 2.433 0.012 . . . . . . 944 E HG3 . 19815 1 187 . 1 1 14 14 GLU C C 13 179.920 0.000 . . . . . . 944 E C . 19815 1 188 . 1 1 14 14 GLU CA C 13 59.930 0.000 . . . . . . 944 E CA . 19815 1 189 . 1 1 14 14 GLU CB C 13 29.650 0.000 . . . . . . 944 E CB . 19815 1 190 . 1 1 14 14 GLU CG C 13 36.230 0.000 . . . . . . 944 E CG . 19815 1 191 . 1 1 14 14 GLU N N 15 118.400 0.191 . . . . . . 944 E N . 19815 1 192 . 1 1 15 15 LYS H H 1 7.576 0.042 . . . . . . 945 K H . 19815 1 193 . 1 1 15 15 LYS HA H 1 4.150 0.010 . . . . . . 945 K HA . 19815 1 194 . 1 1 15 15 LYS HB2 H 1 2.006 0.011 . . . . . . 945 K QB . 19815 1 195 . 1 1 15 15 LYS HB3 H 1 2.006 0.011 . . . . . . 945 K QB . 19815 1 196 . 1 1 15 15 LYS HG2 H 1 1.429 0.009 . . . . . . 945 K QG . 19815 1 197 . 1 1 15 15 LYS HG3 H 1 1.429 0.009 . . . . . . 945 K QG . 19815 1 198 . 1 1 15 15 LYS HD2 H 1 1.689 0.000 . . . . . . 945 K QD . 19815 1 199 . 1 1 15 15 LYS HD3 H 1 1.689 0.000 . . . . . . 945 K QD . 19815 1 200 . 1 1 15 15 LYS HE2 H 1 2.929 0.018 . . . . . . 945 K QE . 19815 1 201 . 1 1 15 15 LYS HE3 H 1 2.929 0.018 . . . . . . 945 K QE . 19815 1 202 . 1 1 15 15 LYS C C 13 179.840 0.000 . . . . . . 945 K C . 19815 1 203 . 1 1 15 15 LYS CA C 13 59.830 0.000 . . . . . . 945 K CA . 19815 1 204 . 1 1 15 15 LYS CB C 13 32.260 0.000 . . . . . . 945 K CB . 19815 1 205 . 1 1 15 15 LYS CG C 13 24.950 0.000 . . . . . . 945 K CG . 19815 1 206 . 1 1 15 15 LYS CD C 13 29.080 0.000 . . . . . . 945 K CD . 19815 1 207 . 1 1 15 15 LYS CE C 13 42.030 0.000 . . . . . . 945 K CE . 19815 1 208 . 1 1 15 15 LYS N N 15 120.946 0.237 . . . . . . 945 K N . 19815 1 209 . 1 1 16 16 LEU H H 1 8.629 0.029 . . . . . . 946 L H . 19815 1 210 . 1 1 16 16 LEU HA H 1 4.118 0.008 . . . . . . 946 L HA . 19815 1 211 . 1 1 16 16 LEU HB2 H 1 1.234 0.011 . . . . . . 946 L QB . 19815 1 212 . 1 1 16 16 LEU HB3 H 1 1.234 0.011 . . . . . . 946 L QB . 19815 1 213 . 1 1 16 16 LEU HG H 1 1.876 0.010 . . . . . . 946 L HG . 19815 1 214 . 1 1 16 16 LEU HD11 H 1 0.853 0.004 . . . . . . 946 L QD1 . 19815 1 215 . 1 1 16 16 LEU HD12 H 1 0.853 0.004 . . . . . . 946 L QD1 . 19815 1 216 . 1 1 16 16 LEU HD13 H 1 0.853 0.004 . . . . . . 946 L QD1 . 19815 1 217 . 1 1 16 16 LEU HD21 H 1 0.942 0.003 . . . . . . 946 L QD2 . 19815 1 218 . 1 1 16 16 LEU HD22 H 1 0.942 0.003 . . . . . . 946 L QD2 . 19815 1 219 . 1 1 16 16 LEU HD23 H 1 0.942 0.003 . . . . . . 946 L QD2 . 19815 1 220 . 1 1 16 16 LEU C C 13 179.510 0.000 . . . . . . 946 L C . 19815 1 221 . 1 1 16 16 LEU CA C 13 57.980 0.000 . . . . . . 946 L CA . 19815 1 222 . 1 1 16 16 LEU CB C 13 43.280 0.000 . . . . . . 946 L CB . 19815 1 223 . 1 1 16 16 LEU CG C 13 27.020 0.000 . . . . . . 946 L CG . 19815 1 224 . 1 1 16 16 LEU CD1 C 13 23.260 0.000 . . . . . . 946 L CD1 . 19815 1 225 . 1 1 16 16 LEU CD2 C 13 23.260 0.000 . . . . . . 946 L CD2 . 19815 1 226 . 1 1 16 16 LEU N N 15 121.256 0.172 . . . . . . 946 L N . 19815 1 227 . 1 1 17 17 LYS H H 1 8.428 0.024 . . . . . . 947 K H . 19815 1 228 . 1 1 17 17 LYS HA H 1 3.861 0.010 . . . . . . 947 K HA . 19815 1 229 . 1 1 17 17 LYS HB2 H 1 1.718 0.012 . . . . . . 947 K HB2 . 19815 1 230 . 1 1 17 17 LYS HB3 H 1 1.858 0.010 . . . . . . 947 K HB3 . 19815 1 231 . 1 1 17 17 LYS HG2 H 1 1.369 0.012 . . . . . . 947 K QG . 19815 1 232 . 1 1 17 17 LYS HG3 H 1 1.369 0.012 . . . . . . 947 K QG . 19815 1 233 . 1 1 17 17 LYS HD2 H 1 1.604 0.018 . . . . . . 947 K QD . 19815 1 234 . 1 1 17 17 LYS HD3 H 1 1.604 0.018 . . . . . . 947 K QD . 19815 1 235 . 1 1 17 17 LYS HE2 H 1 2.888 0.010 . . . . . . 947 K HE2 . 19815 1 236 . 1 1 17 17 LYS HE3 H 1 3.213 0.002 . . . . . . 947 K HE3 . 19815 1 237 . 1 1 17 17 LYS C C 13 180.010 0.000 . . . . . . 947 K C . 19815 1 238 . 1 1 17 17 LYS CA C 13 61.400 0.000 . . . . . . 947 K CA . 19815 1 239 . 1 1 17 17 LYS CB C 13 32.600 0.000 . . . . . . 947 K CB . 19815 1 240 . 1 1 17 17 LYS CG C 13 26.950 0.000 . . . . . . 947 K CG . 19815 1 241 . 1 1 17 17 LYS CD C 13 29.580 0.000 . . . . . . 947 K CD . 19815 1 242 . 1 1 17 17 LYS CE C 13 42.296 0.000 . . . . . . 947 K CE . 19815 1 243 . 1 1 17 17 LYS N N 15 118.260 0.113 . . . . . . 947 K N . 19815 1 244 . 1 1 18 18 ALA H H 1 7.722 0.028 . . . . . . 948 A H . 19815 1 245 . 1 1 18 18 ALA HA H 1 4.253 0.011 . . . . . . 948 A HA . 19815 1 246 . 1 1 18 18 ALA HB1 H 1 1.586 0.010 . . . . . . 948 A QB . 19815 1 247 . 1 1 18 18 ALA HB2 H 1 1.586 0.010 . . . . . . 948 A QB . 19815 1 248 . 1 1 18 18 ALA HB3 H 1 1.586 0.010 . . . . . . 948 A QB . 19815 1 249 . 1 1 18 18 ALA C C 13 179.910 0.000 . . . . . . 948 A C . 19815 1 250 . 1 1 18 18 ALA CA C 13 55.500 0.000 . . . . . . 948 A CA . 19815 1 251 . 1 1 18 18 ALA CB C 13 18.100 0.000 . . . . . . 948 A CB . 19815 1 252 . 1 1 18 18 ALA N N 15 123.373 0.251 . . . . . . 948 A N . 19815 1 253 . 1 1 19 19 GLN H H 1 8.336 0.027 . . . . . . 949 Q H . 19815 1 254 . 1 1 19 19 GLN HA H 1 4.210 0.009 . . . . . . 949 Q HA . 19815 1 255 . 1 1 19 19 GLN HB2 H 1 2.127 0.009 . . . . . . 949 Q QB . 19815 1 256 . 1 1 19 19 GLN HB3 H 1 2.127 0.009 . . . . . . 949 Q QB . 19815 1 257 . 1 1 19 19 GLN HG2 H 1 2.326 0.019 . . . . . . 949 Q HG2 . 19815 1 258 . 1 1 19 19 GLN HG3 H 1 2.612 0.010 . . . . . . 949 Q HG3 . 19815 1 259 . 1 1 19 19 GLN HE21 H 1 7.318 0.080 . . . . . . 949 Q HE21 . 19815 1 260 . 1 1 19 19 GLN HE22 H 1 6.660 0.058 . . . . . . 949 Q HE22 . 19815 1 261 . 1 1 19 19 GLN C C 13 180.480 0.000 . . . . . . 949 Q C . 19815 1 262 . 1 1 19 19 GLN CA C 13 59.580 0.000 . . . . . . 949 Q CA . 19815 1 263 . 1 1 19 19 GLN CB C 13 28.970 0.000 . . . . . . 949 Q CB . 19815 1 264 . 1 1 19 19 GLN CG C 13 34.310 0.000 . . . . . . 949 Q CG . 19815 1 265 . 1 1 19 19 GLN N N 15 119.041 1.225 . . . . . . 949 Q N . 19815 1 266 . 1 1 20 20 LEU H H 1 8.949 0.022 . . . . . . 950 L H . 19815 1 267 . 1 1 20 20 LEU HA H 1 3.999 0.012 . . . . . . 950 L HA . 19815 1 268 . 1 1 20 20 LEU HB2 H 1 1.849 0.008 . . . . . . 950 L QB . 19815 1 269 . 1 1 20 20 LEU HB3 H 1 1.849 0.008 . . . . . . 950 L QB . 19815 1 270 . 1 1 20 20 LEU HG H 1 1.635 0.014 . . . . . . 950 L HG . 19815 1 271 . 1 1 20 20 LEU HD11 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 272 . 1 1 20 20 LEU HD12 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 273 . 1 1 20 20 LEU HD13 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 274 . 1 1 20 20 LEU HD21 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 275 . 1 1 20 20 LEU HD22 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 276 . 1 1 20 20 LEU HD23 H 1 0.876 0.014 . . . . . . 950 L QQD . 19815 1 277 . 1 1 20 20 LEU C C 13 178.110 0.000 . . . . . . 950 L C . 19815 1 278 . 1 1 20 20 LEU CA C 13 58.850 0.000 . . . . . . 950 L CA . 19815 1 279 . 1 1 20 20 LEU CB C 13 42.160 0.000 . . . . . . 950 L CB . 19815 1 280 . 1 1 20 20 LEU CG C 13 27.120 0.000 . . . . . . 950 L CG . 19815 1 281 . 1 1 20 20 LEU CD1 C 13 23.890 0.000 . . . . . . 950 L CD1 . 19815 1 282 . 1 1 20 20 LEU CD2 C 13 25.430 0.000 . . . . . . 950 L CD2 . 19815 1 283 . 1 1 20 20 LEU N N 15 123.277 0.084 . . . . . . 950 L N . 19815 1 284 . 1 1 21 21 HIS H H 1 8.142 0.022 . . . . . . 951 H H . 19815 1 285 . 1 1 21 21 HIS HA H 1 4.319 0.013 . . . . . . 951 H HA . 19815 1 286 . 1 1 21 21 HIS HB2 H 1 3.309 0.007 . . . . . . 951 H HB2 . 19815 1 287 . 1 1 21 21 HIS HB3 H 1 3.502 0.007 . . . . . . 951 H HB3 . 19815 1 288 . 1 1 21 21 HIS HE1 H 1 7.849 0.015 . . . . . . 951 H HE1 . 19815 1 289 . 1 1 21 21 HIS CA C 13 60.300 0.000 . . . . . . 951 H CA . 19815 1 290 . 1 1 21 21 HIS CB C 13 29.200 0.017 . . . . . . 951 H CB . 19815 1 291 . 1 1 21 21 HIS CE1 C 13 138.397 0.000 . . . . . . 951 H CE1 . 19815 1 292 . 1 1 21 21 HIS N N 15 119.509 0.326 . . . . . . 951 H N . 19815 1 293 . 1 1 22 22 ASP H H 1 8.413 0.036 . . . . . . 952 D H . 19815 1 294 . 1 1 22 22 ASP HA H 1 4.317 0.012 . . . . . . 952 D HA . 19815 1 295 . 1 1 22 22 ASP HB2 H 1 2.814 0.008 . . . . . . 952 D QB . 19815 1 296 . 1 1 22 22 ASP HB3 H 1 2.814 0.008 . . . . . . 952 D QB . 19815 1 297 . 1 1 22 22 ASP C C 13 179.880 0.000 . . . . . . 952 D C . 19815 1 298 . 1 1 22 22 ASP CA C 13 58.090 0.000 . . . . . . 952 D CA . 19815 1 299 . 1 1 22 22 ASP CB C 13 40.190 0.000 . . . . . . 952 D CB . 19815 1 300 . 1 1 22 22 ASP N N 15 120.311 0.277 . . . . . . 952 D N . 19815 1 301 . 1 1 23 23 THR H H 1 8.642 0.014 . . . . . . 953 T H . 19815 1 302 . 1 1 23 23 THR HA H 1 4.091 0.008 . . . . . . 953 T HA . 19815 1 303 . 1 1 23 23 THR HG21 H 1 1.224 0.011 . . . . . . 953 T QG2 . 19815 1 304 . 1 1 23 23 THR HG22 H 1 1.224 0.011 . . . . . . 953 T QG2 . 19815 1 305 . 1 1 23 23 THR HG23 H 1 1.224 0.011 . . . . . . 953 T QG2 . 19815 1 306 . 1 1 23 23 THR C C 13 175.500 0.000 . . . . . . 953 T C . 19815 1 307 . 1 1 23 23 THR CA C 13 67.220 0.000 . . . . . . 953 T CA . 19815 1 308 . 1 1 23 23 THR CB C 13 68.990 0.000 . . . . . . 953 T CB . 19815 1 309 . 1 1 23 23 THR CG2 C 13 21.730 0.000 . . . . . . 953 T CG2 . 19815 1 310 . 1 1 23 23 THR N N 15 118.205 0.102 . . . . . . 953 T N . 19815 1 311 . 1 1 24 24 ASN H H 1 8.536 0.034 . . . . . . 954 N H . 19815 1 312 . 1 1 24 24 ASN HA H 1 4.465 0.009 . . . . . . 954 N HA . 19815 1 313 . 1 1 24 24 ASN HB2 H 1 2.662 0.010 . . . . . . 954 N HB2 . 19815 1 314 . 1 1 24 24 ASN HB3 H 1 2.923 0.010 . . . . . . 954 N HB3 . 19815 1 315 . 1 1 24 24 ASN HD21 H 1 7.345 0.060 . . . . . . 954 N HD21 . 19815 1 316 . 1 1 24 24 ASN HD22 H 1 6.745 0.052 . . . . . . 954 N HD22 . 19815 1 317 . 1 1 24 24 ASN C C 13 178.620 0.000 . . . . . . 954 N C . 19815 1 318 . 1 1 24 24 ASN CA C 13 57.300 0.000 . . . . . . 954 N CA . 19815 1 319 . 1 1 24 24 ASN CB C 13 38.790 0.034 . . . . . . 954 N CB . 19815 1 320 . 1 1 24 24 ASN N N 15 120.653 0.166 . . . . . . 954 N N . 19815 1 321 . 1 1 24 24 ASN ND2 N 15 120.654 0.002 . . . . . . 954 N ND2 . 19815 1 322 . 1 1 25 25 MET H H 1 8.021 0.034 . . . . . . 955 M H . 19815 1 323 . 1 1 25 25 MET HA H 1 4.197 0.011 . . . . . . 955 M HA . 19815 1 324 . 1 1 25 25 MET HB2 H 1 2.148 0.017 . . . . . . 955 M QB . 19815 1 325 . 1 1 25 25 MET HB3 H 1 2.148 0.017 . . . . . . 955 M QB . 19815 1 326 . 1 1 25 25 MET HG2 H 1 2.298 0.011 . . . . . . 955 M HG2 . 19815 1 327 . 1 1 25 25 MET HG3 H 1 2.514 0.011 . . . . . . 955 M HG3 . 19815 1 328 . 1 1 25 25 MET C C 13 178.620 0.000 . . . . . . 955 M C . 19815 1 329 . 1 1 25 25 MET CA C 13 59.150 0.000 . . . . . . 955 M CA . 19815 1 330 . 1 1 25 25 MET CB C 13 32.530 0.000 . . . . . . 955 M CB . 19815 1 331 . 1 1 25 25 MET CG C 13 31.780 0.000 . . . . . . 955 M CG . 19815 1 332 . 1 1 25 25 MET N N 15 120.620 0.272 . . . . . . 955 M N . 19815 1 333 . 1 1 26 26 GLU H H 1 7.707 0.025 . . . . . . 956 E H . 19815 1 334 . 1 1 26 26 GLU HA H 1 4.091 0.013 . . . . . . 956 E HA . 19815 1 335 . 1 1 26 26 GLU HB2 H 1 2.151 0.011 . . . . . . 956 E QB . 19815 1 336 . 1 1 26 26 GLU HB3 H 1 2.151 0.011 . . . . . . 956 E QB . 19815 1 337 . 1 1 26 26 GLU HG2 H 1 2.431 0.000 . . . . . . 956 E QG . 19815 1 338 . 1 1 26 26 GLU HG3 H 1 2.431 0.000 . . . . . . 956 E QG . 19815 1 339 . 1 1 26 26 GLU C C 13 178.830 0.000 . . . . . . 956 E C . 19815 1 340 . 1 1 26 26 GLU CA C 13 59.720 0.000 . . . . . . 956 E CA . 19815 1 341 . 1 1 26 26 GLU CB C 13 29.540 0.000 . . . . . . 956 E CB . 19815 1 342 . 1 1 26 26 GLU CG C 13 36.140 0.000 . . . . . . 956 E CG . 19815 1 343 . 1 1 26 26 GLU N N 15 121.890 0.228 . . . . . . 956 E N . 19815 1 344 . 1 1 27 27 LEU H H 1 8.453 0.032 . . . . . . 957 L H . 19815 1 345 . 1 1 27 27 LEU HA H 1 3.937 0.010 . . . . . . 957 L HA . 19815 1 346 . 1 1 27 27 LEU HB2 H 1 1.631 0.001 . . . . . . 957 L HB2 . 19815 1 347 . 1 1 27 27 LEU HB3 H 1 1.945 0.010 . . . . . . 957 L HB3 . 19815 1 348 . 1 1 27 27 LEU HG H 1 1.446 0.000 . . . . . . 957 L HG . 19815 1 349 . 1 1 27 27 LEU HD11 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 350 . 1 1 27 27 LEU HD12 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 351 . 1 1 27 27 LEU HD13 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 352 . 1 1 27 27 LEU HD21 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 353 . 1 1 27 27 LEU HD22 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 354 . 1 1 27 27 LEU HD23 H 1 0.924 0.014 . . . . . . 957 L QQD . 19815 1 355 . 1 1 27 27 LEU C C 13 178.060 0.000 . . . . . . 957 L C . 19815 1 356 . 1 1 27 27 LEU CA C 13 59.190 0.000 . . . . . . 957 L CA . 19815 1 357 . 1 1 27 27 LEU CB C 13 42.720 0.000 . . . . . . 957 L CB . 19815 1 358 . 1 1 27 27 LEU CG C 13 26.870 0.000 . . . . . . 957 L CG . 19815 1 359 . 1 1 27 27 LEU CD1 C 13 25.190 0.000 . . . . . . 957 L CD1 . 19815 1 360 . 1 1 27 27 LEU CD2 C 13 25.190 0.000 . . . . . . 957 L CD2 . 19815 1 361 . 1 1 27 27 LEU N N 15 120.393 0.232 . . . . . . 957 L N . 19815 1 362 . 1 1 28 28 THR H H 1 8.172 0.018 . . . . . . 958 T H . 19815 1 363 . 1 1 28 28 THR HA H 1 3.752 0.009 . . . . . . 958 T HA . 19815 1 364 . 1 1 28 28 THR HB H 1 4.304 0.000 . . . . . . 958 T HB . 19815 1 365 . 1 1 28 28 THR HG21 H 1 1.248 0.013 . . . . . . 958 T QG2 . 19815 1 366 . 1 1 28 28 THR HG22 H 1 1.248 0.013 . . . . . . 958 T QG2 . 19815 1 367 . 1 1 28 28 THR HG23 H 1 1.248 0.013 . . . . . . 958 T QG2 . 19815 1 368 . 1 1 28 28 THR C C 13 175.710 0.000 . . . . . . 958 T C . 19815 1 369 . 1 1 28 28 THR CA C 13 67.460 0.000 . . . . . . 958 T CA . 19815 1 370 . 1 1 28 28 THR CB C 13 69.390 0.000 . . . . . . 958 T CB . 19815 1 371 . 1 1 28 28 THR CG2 C 13 21.320 0.000 . . . . . . 958 T CG2 . 19815 1 372 . 1 1 28 28 THR N N 15 115.401 0.182 . . . . . . 958 T N . 19815 1 373 . 1 1 29 29 ASP H H 1 7.691 0.000 . . . . . . 959 D H . 19815 1 374 . 1 1 29 29 ASP HA H 1 4.455 0.000 . . . . . . 959 D HA . 19815 1 375 . 1 1 29 29 ASP HB2 H 1 2.753 0.000 . . . . . . 959 D QB . 19815 1 376 . 1 1 29 29 ASP HB3 H 1 2.753 0.000 . . . . . . 959 D QB . 19815 1 377 . 1 1 29 29 ASP C C 13 178.850 0.000 . . . . . . 959 D C . 19815 1 378 . 1 1 29 29 ASP CA C 13 58.140 0.000 . . . . . . 959 D CA . 19815 1 379 . 1 1 29 29 ASP CB C 13 41.660 0.000 . . . . . . 959 D CB . 19815 1 380 . 1 1 29 29 ASP N N 15 121.541 0.000 . . . . . . 959 D N . 19815 1 381 . 1 1 30 30 LEU H H 1 8.470 0.009 . . . . . . 960 L H . 19815 1 382 . 1 1 30 30 LEU HA H 1 4.032 0.000 . . . . . . 960 L HA . 19815 1 383 . 1 1 30 30 LEU HB2 H 1 1.945 0.000 . . . . . . 960 L HB2 . 19815 1 384 . 1 1 30 30 LEU HB3 H 1 1.490 0.000 . . . . . . 960 L HB3 . 19815 1 385 . 1 1 30 30 LEU HG H 1 1.825 0.000 . . . . . . 960 L HG . 19815 1 386 . 1 1 30 30 LEU HD11 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 387 . 1 1 30 30 LEU HD12 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 388 . 1 1 30 30 LEU HD13 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 389 . 1 1 30 30 LEU HD21 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 390 . 1 1 30 30 LEU HD22 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 391 . 1 1 30 30 LEU HD23 H 1 0.884 0.000 . . . . . . 960 L QQD . 19815 1 392 . 1 1 30 30 LEU C C 13 179.510 0.000 . . . . . . 960 L C . 19815 1 393 . 1 1 30 30 LEU CA C 13 57.870 0.000 . . . . . . 960 L CA . 19815 1 394 . 1 1 30 30 LEU CB C 13 42.020 0.000 . . . . . . 960 L CB . 19815 1 395 . 1 1 30 30 LEU CG C 13 26.550 0.000 . . . . . . 960 L CG . 19815 1 396 . 1 1 30 30 LEU CD1 C 13 24.450 0.000 . . . . . . 960 L CD1 . 19815 1 397 . 1 1 30 30 LEU CD2 C 13 24.450 0.000 . . . . . . 960 L CD2 . 19815 1 398 . 1 1 30 30 LEU N N 15 121.160 0.016 . . . . . . 960 L N . 19815 1 399 . 1 1 31 31 LYS H H 1 8.450 0.019 . . . . . . 961 K H . 19815 1 400 . 1 1 31 31 LYS HA H 1 3.875 0.009 . . . . . . 961 K HA . 19815 1 401 . 1 1 31 31 LYS HB2 H 1 1.929 0.003 . . . . . . 961 K QB . 19815 1 402 . 1 1 31 31 LYS HB3 H 1 1.929 0.003 . . . . . . 961 K QB . 19815 1 403 . 1 1 31 31 LYS HG2 H 1 1.374 0.009 . . . . . . 961 K QG . 19815 1 404 . 1 1 31 31 LYS HG3 H 1 1.374 0.009 . . . . . . 961 K QG . 19815 1 405 . 1 1 31 31 LYS HD2 H 1 1.670 0.005 . . . . . . 961 K QD . 19815 1 406 . 1 1 31 31 LYS HD3 H 1 1.670 0.005 . . . . . . 961 K QD . 19815 1 407 . 1 1 31 31 LYS C C 13 180.220 0.000 . . . . . . 961 K C . 19815 1 408 . 1 1 31 31 LYS CA C 13 61.410 0.000 . . . . . . 961 K CA . 19815 1 409 . 1 1 31 31 LYS CB C 13 32.570 0.000 . . . . . . 961 K CB . 19815 1 410 . 1 1 31 31 LYS CG C 13 27.180 0.000 . . . . . . 961 K CG . 19815 1 411 . 1 1 31 31 LYS CD C 13 29.700 0.000 . . . . . . 961 K CD . 19815 1 412 . 1 1 31 31 LYS N N 15 118.962 0.244 . . . . . . 961 K N . 19815 1 413 . 1 1 32 32 LEU H H 1 7.685 0.027 . . . . . . 962 L H . 19815 1 414 . 1 1 32 32 LEU HA H 1 4.180 0.014 . . . . . . 962 L HA . 19815 1 415 . 1 1 32 32 LEU HB2 H 1 1.935 0.013 . . . . . . 962 L QB . 19815 1 416 . 1 1 32 32 LEU HB3 H 1 1.935 0.013 . . . . . . 962 L QB . 19815 1 417 . 1 1 32 32 LEU HG H 1 1.728 0.019 . . . . . . 962 L HG . 19815 1 418 . 1 1 32 32 LEU HD11 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 419 . 1 1 32 32 LEU HD12 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 420 . 1 1 32 32 LEU HD13 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 421 . 1 1 32 32 LEU HD21 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 422 . 1 1 32 32 LEU HD22 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 423 . 1 1 32 32 LEU HD23 H 1 0.909 0.014 . . . . . . 962 L QQD . 19815 1 424 . 1 1 32 32 LEU C C 13 180.240 0.000 . . . . . . 962 L C . 19815 1 425 . 1 1 32 32 LEU CA C 13 58.170 0.000 . . . . . . 962 L CA . 19815 1 426 . 1 1 32 32 LEU CB C 13 41.690 0.000 . . . . . . 962 L CB . 19815 1 427 . 1 1 32 32 LEU CG C 13 26.670 0.000 . . . . . . 962 L CG . 19815 1 428 . 1 1 32 32 LEU CD1 C 13 24.380 0.000 . . . . . . 962 L CD1 . 19815 1 429 . 1 1 32 32 LEU CD2 C 13 24.380 0.000 . . . . . . 962 L CD2 . 19815 1 430 . 1 1 32 32 LEU N N 15 120.508 0.211 . . . . . . 962 L N . 19815 1 431 . 1 1 33 33 GLN H H 1 8.181 0.036 . . . . . . 963 Q H . 19815 1 432 . 1 1 33 33 GLN HA H 1 3.987 0.004 . . . . . . 963 Q HA . 19815 1 433 . 1 1 33 33 GLN HB2 H 1 2.192 0.021 . . . . . . 963 Q QB . 19815 1 434 . 1 1 33 33 GLN HB3 H 1 2.192 0.021 . . . . . . 963 Q QB . 19815 1 435 . 1 1 33 33 GLN HG2 H 1 2.598 0.011 . . . . . . 963 Q HG2 . 19815 1 436 . 1 1 33 33 GLN HG3 H 1 2.351 0.013 . . . . . . 963 Q HG3 . 19815 1 437 . 1 1 33 33 GLN HE21 H 1 7.376 0.035 . . . . . . 963 Q HE21 . 19815 1 438 . 1 1 33 33 GLN HE22 H 1 6.717 0.039 . . . . . . 963 Q HE22 . 19815 1 439 . 1 1 33 33 GLN C C 13 179.840 0.000 . . . . . . 963 Q C . 19815 1 440 . 1 1 33 33 GLN CA C 13 59.480 0.000 . . . . . . 963 Q CA . 19815 1 441 . 1 1 33 33 GLN CB C 13 29.180 0.000 . . . . . . 963 Q CB . 19815 1 442 . 1 1 33 33 GLN CG C 13 34.130 0.000 . . . . . . 963 Q CG . 19815 1 443 . 1 1 33 33 GLN N N 15 119.401 0.262 . . . . . . 963 Q N . 19815 1 444 . 1 1 33 33 GLN NE2 N 15 112.166 0.105 . . . . . . 963 Q NE2 . 19815 1 445 . 1 1 34 34 LEU H H 1 8.603 0.040 . . . . . . 964 L H . 19815 1 446 . 1 1 34 34 LEU HA H 1 4.009 0.013 . . . . . . 964 L HA . 19815 1 447 . 1 1 34 34 LEU HB2 H 1 1.883 0.008 . . . . . . 964 L QB . 19815 1 448 . 1 1 34 34 LEU HB3 H 1 1.883 0.008 . . . . . . 964 L QB . 19815 1 449 . 1 1 34 34 LEU HG H 1 1.535 0.021 . . . . . . 964 L HG . 19815 1 450 . 1 1 34 34 LEU HD11 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 451 . 1 1 34 34 LEU HD12 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 452 . 1 1 34 34 LEU HD13 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 453 . 1 1 34 34 LEU HD21 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 454 . 1 1 34 34 LEU HD22 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 455 . 1 1 34 34 LEU HD23 H 1 0.849 0.006 . . . . . . 964 L QQD . 19815 1 456 . 1 1 34 34 LEU C C 13 179.130 0.000 . . . . . . 964 L C . 19815 1 457 . 1 1 34 34 LEU CA C 13 57.980 0.000 . . . . . . 964 L CA . 19815 1 458 . 1 1 34 34 LEU CB C 13 42.250 0.000 . . . . . . 964 L CB . 19815 1 459 . 1 1 34 34 LEU CG C 13 27.090 0.000 . . . . . . 964 L CG . 19815 1 460 . 1 1 34 34 LEU CD1 C 13 24.120 0.000 . . . . . . 964 L CD1 . 19815 1 461 . 1 1 34 34 LEU CD2 C 13 25.580 0.000 . . . . . . 964 L CD2 . 19815 1 462 . 1 1 34 34 LEU N N 15 121.581 0.160 . . . . . . 964 L N . 19815 1 463 . 1 1 35 35 GLU H H 1 7.989 0.049 . . . . . . 965 E H . 19815 1 464 . 1 1 35 35 GLU HA H 1 3.981 0.008 . . . . . . 965 E HA . 19815 1 465 . 1 1 35 35 GLU HB2 H 1 2.371 0.000 . . . . . . 965 E QB . 19815 1 466 . 1 1 35 35 GLU HB3 H 1 2.371 0.000 . . . . . . 965 E QB . 19815 1 467 . 1 1 35 35 GLU HG2 H 1 2.166 0.000 . . . . . . 965 E QG . 19815 1 468 . 1 1 35 35 GLU HG3 H 1 2.166 0.000 . . . . . . 965 E QG . 19815 1 469 . 1 1 35 35 GLU C C 13 178.880 0.000 . . . . . . 965 E C . 19815 1 470 . 1 1 35 35 GLU CA C 13 59.680 0.000 . . . . . . 965 E CA . 19815 1 471 . 1 1 35 35 GLU CB C 13 29.390 0.000 . . . . . . 965 E CB . 19815 1 472 . 1 1 35 35 GLU CG C 13 36.140 0.000 . . . . . . 965 E CG . 19815 1 473 . 1 1 35 35 GLU N N 15 120.951 0.265 . . . . . . 965 E N . 19815 1 474 . 1 1 36 36 LYS H H 1 7.772 0.022 . . . . . . 966 K H . 19815 1 475 . 1 1 36 36 LYS HA H 1 4.087 0.012 . . . . . . 966 K HA . 19815 1 476 . 1 1 36 36 LYS HB2 H 1 1.881 0.012 . . . . . . 966 K QB . 19815 1 477 . 1 1 36 36 LYS HB3 H 1 1.881 0.012 . . . . . . 966 K QB . 19815 1 478 . 1 1 36 36 LYS HG2 H 1 1.458 0.016 . . . . . . 966 K QG . 19815 1 479 . 1 1 36 36 LYS HG3 H 1 1.458 0.016 . . . . . . 966 K QG . 19815 1 480 . 1 1 36 36 LYS HD2 H 1 1.594 0.000 . . . . . . 966 K QD . 19815 1 481 . 1 1 36 36 LYS HD3 H 1 1.594 0.000 . . . . . . 966 K QD . 19815 1 482 . 1 1 36 36 LYS HE2 H 1 2.943 0.012 . . . . . . 966 K QE . 19815 1 483 . 1 1 36 36 LYS HE3 H 1 2.943 0.012 . . . . . . 966 K QE . 19815 1 484 . 1 1 36 36 LYS C C 13 178.540 0.000 . . . . . . 966 K C . 19815 1 485 . 1 1 36 36 LYS CA C 13 59.130 0.000 . . . . . . 966 K CA . 19815 1 486 . 1 1 36 36 LYS CB C 13 32.450 0.000 . . . . . . 966 K CB . 19815 1 487 . 1 1 36 36 LYS CG C 13 24.940 0.000 . . . . . . 966 K CG . 19815 1 488 . 1 1 36 36 LYS CD C 13 29.050 0.000 . . . . . . 966 K CD . 19815 1 489 . 1 1 36 36 LYS CE C 13 40.820 0.000 . . . . . . 966 K CE . 19815 1 490 . 1 1 36 36 LYS N N 15 117.639 0.224 . . . . . . 966 K N . 19815 1 491 . 1 1 37 37 ALA H H 1 7.898 0.023 . . . . . . 967 A H . 19815 1 492 . 1 1 37 37 ALA HA H 1 4.254 0.011 . . . . . . 967 A HA . 19815 1 493 . 1 1 37 37 ALA HB1 H 1 1.441 0.011 . . . . . . 967 A QB . 19815 1 494 . 1 1 37 37 ALA HB2 H 1 1.441 0.011 . . . . . . 967 A QB . 19815 1 495 . 1 1 37 37 ALA HB3 H 1 1.441 0.011 . . . . . . 967 A QB . 19815 1 496 . 1 1 37 37 ALA C C 13 179.170 0.000 . . . . . . 967 A C . 19815 1 497 . 1 1 37 37 ALA CA C 13 54.260 0.000 . . . . . . 967 A CA . 19815 1 498 . 1 1 37 37 ALA CB C 13 18.950 0.000 . . . . . . 967 A CB . 19815 1 499 . 1 1 37 37 ALA N N 15 120.364 0.249 . . . . . . 967 A N . 19815 1 500 . 1 1 38 38 THR H H 1 7.740 0.022 . . . . . . 968 T H . 19815 1 501 . 1 1 38 38 THR HA H 1 4.320 0.005 . . . . . . 968 T HA . 19815 1 502 . 1 1 38 38 THR HG21 H 1 1.237 0.011 . . . . . . 968 T QG2 . 19815 1 503 . 1 1 38 38 THR HG22 H 1 1.237 0.011 . . . . . . 968 T QG2 . 19815 1 504 . 1 1 38 38 THR HG23 H 1 1.237 0.011 . . . . . . 968 T QG2 . 19815 1 505 . 1 1 38 38 THR C C 13 174.400 0.000 . . . . . . 968 T C . 19815 1 506 . 1 1 38 38 THR CA C 13 63.350 0.000 . . . . . . 968 T CA . 19815 1 507 . 1 1 38 38 THR CB C 13 70.330 0.000 . . . . . . 968 T CB . 19815 1 508 . 1 1 38 38 THR CG2 C 13 21.380 0.000 . . . . . . 968 T CG2 . 19815 1 509 . 1 1 38 38 THR N N 15 108.642 0.135 . . . . . . 968 T N . 19815 1 510 . 1 1 39 39 GLN H H 1 7.768 0.031 . . . . . . 969 Q H . 19815 1 511 . 1 1 39 39 GLN HA H 1 4.319 0.012 . . . . . . 969 Q HA . 19815 1 512 . 1 1 39 39 GLN HB2 H 1 2.093 0.008 . . . . . . 969 Q QB . 19815 1 513 . 1 1 39 39 GLN HB3 H 1 2.093 0.008 . . . . . . 969 Q QB . 19815 1 514 . 1 1 39 39 GLN HG2 H 1 2.441 0.008 . . . . . . 969 Q QG . 19815 1 515 . 1 1 39 39 GLN HG3 H 1 2.441 0.008 . . . . . . 969 Q QG . 19815 1 516 . 1 1 39 39 GLN HE21 H 1 6.751 0.048 . . . . . . 969 Q HE21 . 19815 1 517 . 1 1 39 39 GLN HE22 H 1 7.467 0.021 . . . . . . 969 Q HE22 . 19815 1 518 . 1 1 39 39 GLN CA C 13 56.610 0.000 . . . . . . 969 Q CA . 19815 1 519 . 1 1 39 39 GLN CB C 13 29.120 0.000 . . . . . . 969 Q CB . 19815 1 520 . 1 1 39 39 GLN CG C 13 33.510 0.000 . . . . . . 969 Q CG . 19815 1 521 . 1 1 39 39 GLN N N 15 121.650 0.000 . . . . . . 969 Q N . 19815 1 522 . 1 1 39 39 GLN NE2 N 15 112.050 0.000 . . . . . . 969 Q NE2 . 19815 1 523 . 1 1 40 40 ARG H H 1 8.199 0.038 . . . . . . 970 R H . 19815 1 524 . 1 1 40 40 ARG HA H 1 4.324 0.019 . . . . . . 970 R HA . 19815 1 525 . 1 1 40 40 ARG HB2 H 1 1.802 0.019 . . . . . . 970 R QB . 19815 1 526 . 1 1 40 40 ARG HB3 H 1 1.802 0.019 . . . . . . 970 R QB . 19815 1 527 . 1 1 40 40 ARG HG2 H 1 1.628 0.011 . . . . . . 970 R QG . 19815 1 528 . 1 1 40 40 ARG HG3 H 1 1.628 0.011 . . . . . . 970 R QG . 19815 1 529 . 1 1 40 40 ARG HD2 H 1 3.181 0.019 . . . . . . 970 R QD . 19815 1 530 . 1 1 40 40 ARG HD3 H 1 3.181 0.019 . . . . . . 970 R QD . 19815 1 531 . 1 1 40 40 ARG C C 13 175.200 0.000 . . . . . . 970 R C . 19815 1 532 . 1 1 40 40 ARG CA C 13 56.390 0.000 . . . . . . 970 R CA . 19815 1 533 . 1 1 40 40 ARG CB C 13 30.990 0.000 . . . . . . 970 R CB . 19815 1 534 . 1 1 40 40 ARG CG C 13 26.900 0.000 . . . . . . 970 R CG . 19815 1 535 . 1 1 40 40 ARG CD C 13 43.010 0.000 . . . . . . 970 R CD . 19815 1 536 . 1 1 40 40 ARG N N 15 122.055 0.272 . . . . . . 970 R N . 19815 1 537 . 1 1 41 41 GLN H H 1 8.426 0.018 . . . . . . 971 Q H . 19815 1 538 . 1 1 41 41 GLN HA H 1 4.336 0.008 . . . . . . 971 Q HA . 19815 1 539 . 1 1 41 41 GLN HB2 H 1 1.941 0.000 . . . . . . 971 Q HB2 . 19815 1 540 . 1 1 41 41 GLN HB3 H 1 2.102 0.006 . . . . . . 971 Q HB3 . 19815 1 541 . 1 1 41 41 GLN HG2 H 1 2.366 0.005 . . . . . . 971 Q QG . 19815 1 542 . 1 1 41 41 GLN HG3 H 1 2.366 0.005 . . . . . . 971 Q QG . 19815 1 543 . 1 1 41 41 GLN HE21 H 1 7.496 0.026 . . . . . . 971 Q HE21 . 19815 1 544 . 1 1 41 41 GLN HE22 H 1 6.773 0.063 . . . . . . 971 Q HE22 . 19815 1 545 . 1 1 41 41 GLN C C 13 175.180 0.000 . . . . . . 971 Q C . 19815 1 546 . 1 1 41 41 GLN CA C 13 56.440 0.000 . . . . . . 971 Q CA . 19815 1 547 . 1 1 41 41 GLN CB C 13 30.160 0.000 . . . . . . 971 Q CB . 19815 1 548 . 1 1 41 41 GLN CG C 13 33.700 0.000 . . . . . . 971 Q CG . 19815 1 549 . 1 1 41 41 GLN N N 15 122.672 0.215 . . . . . . 971 Q N . 19815 1 550 . 1 1 42 42 GLU H H 1 8.366 0.031 . . . . . . 972 E H . 19815 1 551 . 1 1 42 42 GLU HA H 1 4.294 0.000 . . . . . . 972 E HA . 19815 1 552 . 1 1 42 42 GLU HB2 H 1 1.880 0.023 . . . . . . 972 E QB . 19815 1 553 . 1 1 42 42 GLU HB3 H 1 1.880 0.023 . . . . . . 972 E QB . 19815 1 554 . 1 1 42 42 GLU HG2 H 1 2.202 0.007 . . . . . . 972 E QG . 19815 1 555 . 1 1 42 42 GLU HG3 H 1 2.202 0.007 . . . . . . 972 E QG . 19815 1 556 . 1 1 42 42 GLU C C 13 175.320 0.000 . . . . . . 972 E C . 19815 1 557 . 1 1 42 42 GLU CA C 13 56.750 0.000 . . . . . . 972 E CA . 19815 1 558 . 1 1 42 42 GLU CB C 13 30.270 0.000 . . . . . . 972 E CB . 19815 1 559 . 1 1 42 42 GLU CG C 13 36.050 0.000 . . . . . . 972 E CG . 19815 1 560 . 1 1 42 42 GLU N N 15 122.010 0.265 . . . . . . 972 E N . 19815 1 561 . 1 1 43 43 ARG H H 1 8.141 0.025 . . . . . . 973 R H . 19815 1 562 . 1 1 43 43 ARG HA H 1 4.240 0.021 . . . . . . 973 R HA . 19815 1 563 . 1 1 43 43 ARG HB2 H 1 1.519 0.014 . . . . . . 973 R QB . 19815 1 564 . 1 1 43 43 ARG HB3 H 1 1.519 0.014 . . . . . . 973 R QB . 19815 1 565 . 1 1 43 43 ARG HG2 H 1 1.649 0.021 . . . . . . 973 R QG . 19815 1 566 . 1 1 43 43 ARG HG3 H 1 1.649 0.021 . . . . . . 973 R QG . 19815 1 567 . 1 1 43 43 ARG HD2 H 1 3.120 0.010 . . . . . . 973 R QD . 19815 1 568 . 1 1 43 43 ARG HD3 H 1 3.120 0.010 . . . . . . 973 R QD . 19815 1 569 . 1 1 43 43 ARG C C 13 175.040 0.000 . . . . . . 973 R C . 19815 1 570 . 1 1 43 43 ARG CA C 13 56.390 0.000 . . . . . . 973 R CA . 19815 1 571 . 1 1 43 43 ARG CB C 13 30.990 0.000 . . . . . . 973 R CB . 19815 1 572 . 1 1 43 43 ARG CG C 13 26.970 0.000 . . . . . . 973 R CG . 19815 1 573 . 1 1 43 43 ARG CD C 13 43.070 0.000 . . . . . . 973 R CD . 19815 1 574 . 1 1 43 43 ARG N N 15 121.681 0.277 . . . . . . 973 R N . 19815 1 575 . 1 1 44 44 PHE H H 1 8.230 0.023 . . . . . . 974 F H . 19815 1 576 . 1 1 44 44 PHE HA H 1 4.659 0.001 . . . . . . 974 F HA . 19815 1 577 . 1 1 44 44 PHE HB2 H 1 2.959 0.007 . . . . . . 974 F HB2 . 19815 1 578 . 1 1 44 44 PHE HB3 H 1 3.189 0.020 . . . . . . 974 F HB3 . 19815 1 579 . 1 1 44 44 PHE HE1 H 1 7.321 0.000 . . . . . . 974 F QE . 19815 1 580 . 1 1 44 44 PHE HE2 H 1 7.321 0.000 . . . . . . 974 F QE . 19815 1 581 . 1 1 44 44 PHE C C 13 173.380 0.000 . . . . . . 974 F C . 19815 1 582 . 1 1 44 44 PHE CA C 13 57.780 0.000 . . . . . . 974 F CA . 19815 1 583 . 1 1 44 44 PHE CB C 13 39.570 0.000 . . . . . . 974 F CB . 19815 1 584 . 1 1 44 44 PHE N N 15 121.563 0.246 . . . . . . 974 F N . 19815 1 585 . 1 1 45 45 ALA H H 1 7.792 0.023 . . . . . . 975 A H . 19815 1 586 . 1 1 45 45 ALA CA C 13 54.180 0.000 . . . . . . 975 A CA . 19815 1 587 . 1 1 45 45 ALA CB C 13 20.450 0.000 . . . . . . 975 A CB . 19815 1 588 . 1 1 45 45 ALA N N 15 130.312 0.210 . . . . . . 975 A N . 19815 1 589 . 1 1 47 47 ARG HA H 1 4.416 0.000 . . . . . . 977 R HA . 19815 1 590 . 1 1 47 47 ARG HB2 H 1 1.651 0.000 . . . . . . 977 R HB2 . 19815 1 591 . 1 1 47 47 ARG HB3 H 1 1.929 0.000 . . . . . . 977 R HB3 . 19815 1 592 . 1 1 47 47 ARG HG2 H 1 1.785 0.000 . . . . . . 977 R QG . 19815 1 593 . 1 1 47 47 ARG HG3 H 1 1.785 0.000 . . . . . . 977 R QG . 19815 1 594 . 1 1 47 47 ARG HD2 H 1 3.210 0.000 . . . . . . 977 R QD . 19815 1 595 . 1 1 47 47 ARG HD3 H 1 3.210 0.000 . . . . . . 977 R QD . 19815 1 596 . 1 1 47 47 ARG C C 13 174.570 0.000 . . . . . . 977 R C . 19815 1 597 . 1 1 47 47 ARG CA C 13 55.910 0.000 . . . . . . 977 R CA . 19815 1 598 . 1 1 47 47 ARG CB C 13 31.020 0.000 . . . . . . 977 R CB . 19815 1 599 . 1 1 48 48 SER H H 1 7.992 0.028 . . . . . . 978 S H . 19815 1 600 . 1 1 48 48 SER N N 15 122.830 0.227 . . . . . . 978 S N . 19815 1 601 . 1 1 48 48 SER CA C 13 60.290 0.000 . . . . . . 978 S CA . 19815 1 602 . 1 1 48 48 SER CB C 13 65.210 0.000 . . . . . . 978 S CB . 19815 1 stop_ save_