data_25282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25282 _Entry.Title ; Backbone assignment of native and 8M urea-denatured MJ0366 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-12 _Entry.Accession_date 2014-10-12 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Iren Wang . . . 25282 2 Szu-Yu Chen . . . 25282 3 Shang-Te Hsu . . . 25282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 533 25282 '15N chemical shifts' 179 25282 '1H chemical shifts' 270 25282 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 . . 2015-09-04 . original BMRB . 25282 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25741995 _Citation.Full_citation . _Citation.Title ; Unraveling the folding mechanism of the smallest knotted protein, MJ0366 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B.' _Citation.Journal_name_full . _Citation.Journal_volume 119 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4359 _Citation.Page_last 4370 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Iren Wang . . . 25282 1 2 Szu-Yu Chen . . . 25282 1 3 Shang-Te Hsu . . . 25282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25282 _Assembly.ID 1 _Assembly.Name MJ0366 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MJ0366 1 $MJ0366 A . yes native no no . . . 25282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MJ0366 _Entity.Sf_category entity _Entity.Sf_framecode MJ0366 _Entity.Entry_ID 25282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MJ0366 _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 ; MPLVGFMKEKKRATFYLYKN IDGRKLRYLLHKLENVENVD IDTLRRAIEAEKKYKRSITL TEEEEVIIQRLGKSANLLLN CELVKLDEGERA ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2EFV . "Crystal Structure Of A Hypothetical Protein(Mj0366) From Methanocaldococcus Jannaschii" . . . . . 100.00 92 100.00 100.00 6.33e-57 . . . . 25282 1 2 no GB AAB98357 . "hypothetical protein MJ_0366 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 92 100.00 100.00 6.33e-57 . . . . 25282 1 3 no SP Q57812 . "RecName: Full=Uncharacterized protein MJ0366" . . . . . 100.00 92 100.00 100.00 6.33e-57 . . . . 25282 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25282 1 2 2 PRO . 25282 1 3 3 LEU . 25282 1 4 4 VAL . 25282 1 5 5 GLY . 25282 1 6 6 PHE . 25282 1 7 7 MET . 25282 1 8 8 LYS . 25282 1 9 9 GLU . 25282 1 10 10 LYS . 25282 1 11 11 LYS . 25282 1 12 12 ARG . 25282 1 13 13 ALA . 25282 1 14 14 THR . 25282 1 15 15 PHE . 25282 1 16 16 TYR . 25282 1 17 17 LEU . 25282 1 18 18 TYR . 25282 1 19 19 LYS . 25282 1 20 20 ASN . 25282 1 21 21 ILE . 25282 1 22 22 ASP . 25282 1 23 23 GLY . 25282 1 24 24 ARG . 25282 1 25 25 LYS . 25282 1 26 26 LEU . 25282 1 27 27 ARG . 25282 1 28 28 TYR . 25282 1 29 29 LEU . 25282 1 30 30 LEU . 25282 1 31 31 HIS . 25282 1 32 32 LYS . 25282 1 33 33 LEU . 25282 1 34 34 GLU . 25282 1 35 35 ASN . 25282 1 36 36 VAL . 25282 1 37 37 GLU . 25282 1 38 38 ASN . 25282 1 39 39 VAL . 25282 1 40 40 ASP . 25282 1 41 41 ILE . 25282 1 42 42 ASP . 25282 1 43 43 THR . 25282 1 44 44 LEU . 25282 1 45 45 ARG . 25282 1 46 46 ARG . 25282 1 47 47 ALA . 25282 1 48 48 ILE . 25282 1 49 49 GLU . 25282 1 50 50 ALA . 25282 1 51 51 GLU . 25282 1 52 52 LYS . 25282 1 53 53 LYS . 25282 1 54 54 TYR . 25282 1 55 55 LYS . 25282 1 56 56 ARG . 25282 1 57 57 SER . 25282 1 58 58 ILE . 25282 1 59 59 THR . 25282 1 60 60 LEU . 25282 1 61 61 THR . 25282 1 62 62 GLU . 25282 1 63 63 GLU . 25282 1 64 64 GLU . 25282 1 65 65 GLU . 25282 1 66 66 VAL . 25282 1 67 67 ILE . 25282 1 68 68 ILE . 25282 1 69 69 GLN . 25282 1 70 70 ARG . 25282 1 71 71 LEU . 25282 1 72 72 GLY . 25282 1 73 73 LYS . 25282 1 74 74 SER . 25282 1 75 75 ALA . 25282 1 76 76 ASN . 25282 1 77 77 LEU . 25282 1 78 78 LEU . 25282 1 79 79 LEU . 25282 1 80 80 ASN . 25282 1 81 81 CYS . 25282 1 82 82 GLU . 25282 1 83 83 LEU . 25282 1 84 84 VAL . 25282 1 85 85 LYS . 25282 1 86 86 LEU . 25282 1 87 87 ASP . 25282 1 88 88 GLU . 25282 1 89 89 GLY . 25282 1 90 90 GLU . 25282 1 91 91 ARG . 25282 1 92 92 ALA . 25282 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25282 1 . PRO 2 2 25282 1 . LEU 3 3 25282 1 . VAL 4 4 25282 1 . GLY 5 5 25282 1 . PHE 6 6 25282 1 . MET 7 7 25282 1 . LYS 8 8 25282 1 . GLU 9 9 25282 1 . LYS 10 10 25282 1 . LYS 11 11 25282 1 . ARG 12 12 25282 1 . ALA 13 13 25282 1 . THR 14 14 25282 1 . PHE 15 15 25282 1 . TYR 16 16 25282 1 . LEU 17 17 25282 1 . TYR 18 18 25282 1 . LYS 19 19 25282 1 . ASN 20 20 25282 1 . ILE 21 21 25282 1 . ASP 22 22 25282 1 . GLY 23 23 25282 1 . ARG 24 24 25282 1 . LYS 25 25 25282 1 . LEU 26 26 25282 1 . ARG 27 27 25282 1 . TYR 28 28 25282 1 . LEU 29 29 25282 1 . LEU 30 30 25282 1 . HIS 31 31 25282 1 . LYS 32 32 25282 1 . LEU 33 33 25282 1 . GLU 34 34 25282 1 . ASN 35 35 25282 1 . VAL 36 36 25282 1 . GLU 37 37 25282 1 . ASN 38 38 25282 1 . VAL 39 39 25282 1 . ASP 40 40 25282 1 . ILE 41 41 25282 1 . ASP 42 42 25282 1 . THR 43 43 25282 1 . LEU 44 44 25282 1 . ARG 45 45 25282 1 . ARG 46 46 25282 1 . ALA 47 47 25282 1 . ILE 48 48 25282 1 . GLU 49 49 25282 1 . ALA 50 50 25282 1 . GLU 51 51 25282 1 . LYS 52 52 25282 1 . LYS 53 53 25282 1 . TYR 54 54 25282 1 . LYS 55 55 25282 1 . ARG 56 56 25282 1 . SER 57 57 25282 1 . ILE 58 58 25282 1 . THR 59 59 25282 1 . LEU 60 60 25282 1 . THR 61 61 25282 1 . GLU 62 62 25282 1 . GLU 63 63 25282 1 . GLU 64 64 25282 1 . GLU 65 65 25282 1 . VAL 66 66 25282 1 . ILE 67 67 25282 1 . ILE 68 68 25282 1 . GLN 69 69 25282 1 . ARG 70 70 25282 1 . LEU 71 71 25282 1 . GLY 72 72 25282 1 . LYS 73 73 25282 1 . SER 74 74 25282 1 . ALA 75 75 25282 1 . ASN 76 76 25282 1 . LEU 77 77 25282 1 . LEU 78 78 25282 1 . LEU 79 79 25282 1 . ASN 80 80 25282 1 . CYS 81 81 25282 1 . GLU 82 82 25282 1 . LEU 83 83 25282 1 . VAL 84 84 25282 1 . LYS 85 85 25282 1 . LEU 86 86 25282 1 . ASP 87 87 25282 1 . GLU 88 88 25282 1 . GLY 89 89 25282 1 . GLU 90 90 25282 1 . ARG 91 91 25282 1 . ALA 92 92 25282 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 25282 _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 $MJ0366 . 2190 organism . 'Methanococcus jannaschii' Euryarchaeotes . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . 25282 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 25282 _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 $MJ0366 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pETz2 . . . 25282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25282 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MJ0366 '[U-99% 13C; U-99% 15N]' . . 1 $MJ0366 . . 0.55 . . mM . . . . 25282 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25282 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25282 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25282 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25282 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25282 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MJ0366 '[U-99% 13C; U-99% 15N]' . . 1 $MJ0366 . . 0.5 . . mM . . . . 25282 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25282 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25282 2 4 urea 'natural abundance' . . . . . . 8 . . M . . . . 25282 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25282 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25282 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 25282 _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' 0.1 . M 25282 1 pH 6 . pH 25282 1 pressure 1 . atm 25282 1 temperature 310 . K 25282 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25282 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 25282 2 temperature 298 . K 25282 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25282 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25282 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25282 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25282 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25282 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25282 2 'peak picking' 25282 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25282 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25282 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25282 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25282 _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 25282 _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 . . . 25282 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 25282 _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 . . . . . . . . . . . . . . . . 25282 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25282 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 25282 _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 . . . . . . . . . 25282 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25282 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25282 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 25282 _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' . . . 25282 1 2 '3D HNCO' . . . 25282 1 3 '3D HNCACB' . . . 25282 1 4 '3D HNCA' . . . 25282 1 5 '3D CBCA(CO)NH' . . . 25282 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 2 2 PRO C C 13 176.389 0.000 . . . . . . 2 PRO C . 25282 1 2 . 1 1 2 2 PRO CA C 13 63.106 0.060 . . . . . . 2 PRO CA . 25282 1 3 . 1 1 2 2 PRO CB C 13 31.985 0.000 . . . . . . 2 PRO CB . 25282 1 4 . 1 1 3 3 LEU H H 1 8.186 0.004 . . . . . . 3 LEU H . 25282 1 5 . 1 1 3 3 LEU C C 13 177.206 0.000 . . . . . . 3 LEU C . 25282 1 6 . 1 1 3 3 LEU CA C 13 55.101 0.038 . . . . . . 3 LEU CA . 25282 1 7 . 1 1 3 3 LEU CB C 13 42.413 0.011 . . . . . . 3 LEU CB . 25282 1 8 . 1 1 3 3 LEU N N 15 122.335 0.007 . . . . . . 3 LEU N . 25282 1 9 . 1 1 4 4 VAL H H 1 7.918 0.001 . . . . . . 4 VAL H . 25282 1 10 . 1 1 4 4 VAL C C 13 176.429 0.000 . . . . . . 4 VAL C . 25282 1 11 . 1 1 4 4 VAL CA C 13 62.291 0.051 . . . . . . 4 VAL CA . 25282 1 12 . 1 1 4 4 VAL CB C 13 32.861 0.016 . . . . . . 4 VAL CB . 25282 1 13 . 1 1 4 4 VAL N N 15 120.098 0.005 . . . . . . 4 VAL N . 25282 1 14 . 1 1 5 5 GLY H H 1 8.355 0.002 . . . . . . 5 GLY H . 25282 1 15 . 1 1 5 5 GLY C C 13 173.479 0.000 . . . . . . 5 GLY C . 25282 1 16 . 1 1 5 5 GLY CA C 13 45.218 0.025 . . . . . . 5 GLY CA . 25282 1 17 . 1 1 5 5 GLY N N 15 112.194 0.007 . . . . . . 5 GLY N . 25282 1 18 . 1 1 6 6 PHE H H 1 7.975 0.001 . . . . . . 6 PHE H . 25282 1 19 . 1 1 6 6 PHE C C 13 175.330 0.000 . . . . . . 6 PHE C . 25282 1 20 . 1 1 6 6 PHE CA C 13 57.563 0.068 . . . . . . 6 PHE CA . 25282 1 21 . 1 1 6 6 PHE CB C 13 39.941 0.043 . . . . . . 6 PHE CB . 25282 1 22 . 1 1 6 6 PHE N N 15 119.657 0.016 . . . . . . 6 PHE N . 25282 1 23 . 1 1 7 7 MET H H 1 8.161 0.002 . . . . . . 7 MET H . 25282 1 24 . 1 1 7 7 MET C C 13 175.394 0.000 . . . . . . 7 MET C . 25282 1 25 . 1 1 7 7 MET CA C 13 55.190 0.039 . . . . . . 7 MET CA . 25282 1 26 . 1 1 7 7 MET CB C 13 33.184 0.017 . . . . . . 7 MET CB . 25282 1 27 . 1 1 7 7 MET N N 15 122.332 0.018 . . . . . . 7 MET N . 25282 1 28 . 1 1 8 8 LYS H H 1 8.156 0.003 . . . . . . 8 LYS H . 25282 1 29 . 1 1 8 8 LYS C C 13 176.293 0.000 . . . . . . 8 LYS C . 25282 1 30 . 1 1 8 8 LYS CA C 13 56.660 0.048 . . . . . . 8 LYS CA . 25282 1 31 . 1 1 8 8 LYS CB C 13 33.233 0.002 . . . . . . 8 LYS CB . 25282 1 32 . 1 1 8 8 LYS N N 15 123.131 0.012 . . . . . . 8 LYS N . 25282 1 33 . 1 1 9 9 GLU H H 1 8.409 0.003 . . . . . . 9 GLU H . 25282 1 34 . 1 1 9 9 GLU C C 13 176.249 0.000 . . . . . . 9 GLU C . 25282 1 35 . 1 1 9 9 GLU CA C 13 56.562 0.056 . . . . . . 9 GLU CA . 25282 1 36 . 1 1 9 9 GLU CB C 13 30.448 0.008 . . . . . . 9 GLU CB . 25282 1 37 . 1 1 9 9 GLU N N 15 122.454 0.009 . . . . . . 9 GLU N . 25282 1 38 . 1 1 10 10 LYS H H 1 8.230 0.004 . . . . . . 10 LYS H . 25282 1 39 . 1 1 10 10 LYS C C 13 176.277 0.000 . . . . . . 10 LYS C . 25282 1 40 . 1 1 10 10 LYS CA C 13 56.370 0.047 . . . . . . 10 LYS CA . 25282 1 41 . 1 1 10 10 LYS CB C 13 32.922 0.012 . . . . . . 10 LYS CB . 25282 1 42 . 1 1 10 10 LYS N N 15 122.371 0.015 . . . . . . 10 LYS N . 25282 1 43 . 1 1 11 11 LYS H H 1 8.561 0.003 . . . . . . 11 LYS H . 25282 1 44 . 1 1 11 11 LYS C C 13 175.083 0.000 . . . . . . 11 LYS C . 25282 1 45 . 1 1 11 11 LYS CA C 13 56.211 0.056 . . . . . . 11 LYS CA . 25282 1 46 . 1 1 11 11 LYS CB C 13 32.889 0.081 . . . . . . 11 LYS CB . 25282 1 47 . 1 1 11 11 LYS N N 15 122.007 0.009 . . . . . . 11 LYS N . 25282 1 48 . 1 1 12 12 ARG H H 1 8.041 0.002 . . . . . . 12 ARG H . 25282 1 49 . 1 1 12 12 ARG C C 13 175.091 0.000 . . . . . . 12 ARG C . 25282 1 50 . 1 1 12 12 ARG CA C 13 54.957 0.036 . . . . . . 12 ARG CA . 25282 1 51 . 1 1 12 12 ARG CB C 13 32.639 0.004 . . . . . . 12 ARG CB . 25282 1 52 . 1 1 12 12 ARG N N 15 121.105 0.011 . . . . . . 12 ARG N . 25282 1 53 . 1 1 13 13 ALA H H 1 8.672 0.004 . . . . . . 13 ALA H . 25282 1 54 . 1 1 13 13 ALA C C 13 175.349 0.000 . . . . . . 13 ALA C . 25282 1 55 . 1 1 13 13 ALA CA C 13 50.808 0.017 . . . . . . 13 ALA CA . 25282 1 56 . 1 1 13 13 ALA CB C 13 22.870 0.034 . . . . . . 13 ALA CB . 25282 1 57 . 1 1 13 13 ALA N N 15 126.407 0.023 . . . . . . 13 ALA N . 25282 1 58 . 1 1 14 14 THR H H 1 8.004 0.002 . . . . . . 14 THR H . 25282 1 59 . 1 1 14 14 THR C C 13 171.958 0.000 . . . . . . 14 THR C . 25282 1 60 . 1 1 14 14 THR CA C 13 62.202 0.058 . . . . . . 14 THR CA . 25282 1 61 . 1 1 14 14 THR CB C 13 70.536 0.000 . . . . . . 14 THR CB . 25282 1 62 . 1 1 14 14 THR N N 15 116.971 0.019 . . . . . . 14 THR N . 25282 1 63 . 1 1 15 15 PHE H H 1 8.708 0.006 . . . . . . 15 PHE H . 25282 1 64 . 1 1 15 15 PHE C C 13 172.963 0.000 . . . . . . 15 PHE C . 25282 1 65 . 1 1 15 15 PHE CA C 13 56.409 0.010 . . . . . . 15 PHE CA . 25282 1 66 . 1 1 15 15 PHE CB C 13 42.597 0.105 . . . . . . 15 PHE CB . 25282 1 67 . 1 1 15 15 PHE N N 15 125.257 0.023 . . . . . . 15 PHE N . 25282 1 68 . 1 1 16 16 TYR H H 1 9.599 0.003 . . . . . . 16 TYR H . 25282 1 69 . 1 1 16 16 TYR C C 13 175.791 0.000 . . . . . . 16 TYR C . 25282 1 70 . 1 1 16 16 TYR CA C 13 57.213 0.058 . . . . . . 16 TYR CA . 25282 1 71 . 1 1 16 16 TYR CB C 13 40.116 0.000 . . . . . . 16 TYR CB . 25282 1 72 . 1 1 16 16 TYR N N 15 119.917 0.013 . . . . . . 16 TYR N . 25282 1 73 . 1 1 17 17 LEU H H 1 9.349 0.004 . . . . . . 17 LEU H . 25282 1 74 . 1 1 17 17 LEU C C 13 177.966 0.000 . . . . . . 17 LEU C . 25282 1 75 . 1 1 17 17 LEU CA C 13 53.008 0.042 . . . . . . 17 LEU CA . 25282 1 76 . 1 1 17 17 LEU CB C 13 45.829 0.068 . . . . . . 17 LEU CB . 25282 1 77 . 1 1 17 17 LEU N N 15 124.387 0.013 . . . . . . 17 LEU N . 25282 1 78 . 1 1 18 18 TYR H H 1 7.698 0.008 . . . . . . 18 TYR H . 25282 1 79 . 1 1 18 18 TYR C C 13 173.742 0.000 . . . . . . 18 TYR C . 25282 1 80 . 1 1 18 18 TYR CA C 13 57.678 0.076 . . . . . . 18 TYR CA . 25282 1 81 . 1 1 18 18 TYR CB C 13 39.526 0.000 . . . . . . 18 TYR CB . 25282 1 82 . 1 1 18 18 TYR N N 15 114.976 0.020 . . . . . . 18 TYR N . 25282 1 83 . 1 1 19 19 LYS H H 1 6.678 0.003 . . . . . . 19 LYS H . 25282 1 84 . 1 1 19 19 LYS C C 13 173.546 0.000 . . . . . . 19 LYS C . 25282 1 85 . 1 1 19 19 LYS CA C 13 54.188 0.027 . . . . . . 19 LYS CA . 25282 1 86 . 1 1 19 19 LYS CB C 13 36.091 0.059 . . . . . . 19 LYS CB . 25282 1 87 . 1 1 19 19 LYS N N 15 118.108 0.012 . . . . . . 19 LYS N . 25282 1 88 . 1 1 20 20 ASN H H 1 7.948 0.003 . . . . . . 20 ASN H . 25282 1 89 . 1 1 20 20 ASN C C 13 175.021 0.000 . . . . . . 20 ASN C . 25282 1 90 . 1 1 20 20 ASN CA C 13 52.227 0.030 . . . . . . 20 ASN CA . 25282 1 91 . 1 1 20 20 ASN CB C 13 36.770 0.032 . . . . . . 20 ASN CB . 25282 1 92 . 1 1 20 20 ASN N N 15 120.106 0.013 . . . . . . 20 ASN N . 25282 1 93 . 1 1 21 21 ILE H H 1 7.291 0.002 . . . . . . 21 ILE H . 25282 1 94 . 1 1 21 21 ILE C C 13 174.094 0.000 . . . . . . 21 ILE C . 25282 1 95 . 1 1 21 21 ILE CA C 13 59.339 0.071 . . . . . . 21 ILE CA . 25282 1 96 . 1 1 21 21 ILE CB C 13 40.678 0.047 . . . . . . 21 ILE CB . 25282 1 97 . 1 1 21 21 ILE N N 15 117.802 0.024 . . . . . . 21 ILE N . 25282 1 98 . 1 1 22 22 ASP H H 1 7.982 0.005 . . . . . . 22 ASP H . 25282 1 99 . 1 1 22 22 ASP C C 13 176.194 0.000 . . . . . . 22 ASP C . 25282 1 100 . 1 1 22 22 ASP CA C 13 52.482 0.040 . . . . . . 22 ASP CA . 25282 1 101 . 1 1 22 22 ASP CB C 13 42.099 0.013 . . . . . . 22 ASP CB . 25282 1 102 . 1 1 22 22 ASP N N 15 120.145 0.015 . . . . . . 22 ASP N . 25282 1 103 . 1 1 23 23 GLY H H 1 8.706 0.004 . . . . . . 23 GLY H . 25282 1 104 . 1 1 23 23 GLY C C 13 175.867 0.000 . . . . . . 23 GLY C . 25282 1 105 . 1 1 23 23 GLY CA C 13 47.366 0.030 . . . . . . 23 GLY CA . 25282 1 106 . 1 1 23 23 GLY N N 15 106.088 0.012 . . . . . . 23 GLY N . 25282 1 107 . 1 1 24 24 ARG H H 1 7.982 0.001 . . . . . . 24 ARG H . 25282 1 108 . 1 1 24 24 ARG C C 13 179.343 0.000 . . . . . . 24 ARG C . 25282 1 109 . 1 1 24 24 ARG CA C 13 59.436 0.066 . . . . . . 24 ARG CA . 25282 1 110 . 1 1 24 24 ARG CB C 13 29.522 0.017 . . . . . . 24 ARG CB . 25282 1 111 . 1 1 24 24 ARG N N 15 121.924 0.014 . . . . . . 24 ARG N . 25282 1 112 . 1 1 25 25 LYS H H 1 8.183 0.004 . . . . . . 25 LYS H . 25282 1 113 . 1 1 25 25 LYS C C 13 178.093 0.000 . . . . . . 25 LYS C . 25282 1 114 . 1 1 25 25 LYS CA C 13 58.495 0.040 . . . . . . 25 LYS CA . 25282 1 115 . 1 1 25 25 LYS CB C 13 31.653 0.089 . . . . . . 25 LYS CB . 25282 1 116 . 1 1 25 25 LYS N N 15 122.570 0.045 . . . . . . 25 LYS N . 25282 1 117 . 1 1 26 26 LEU H H 1 8.105 0.002 . . . . . . 26 LEU H . 25282 1 118 . 1 1 26 26 LEU C C 13 177.680 0.000 . . . . . . 26 LEU C . 25282 1 119 . 1 1 26 26 LEU CA C 13 58.897 0.057 . . . . . . 26 LEU CA . 25282 1 120 . 1 1 26 26 LEU CB C 13 41.674 0.028 . . . . . . 26 LEU CB . 25282 1 121 . 1 1 26 26 LEU N N 15 119.697 0.018 . . . . . . 26 LEU N . 25282 1 122 . 1 1 27 27 ARG H H 1 7.990 0.001 . . . . . . 27 ARG H . 25282 1 123 . 1 1 27 27 ARG C C 13 177.870 0.000 . . . . . . 27 ARG C . 25282 1 124 . 1 1 27 27 ARG CA C 13 60.502 0.036 . . . . . . 27 ARG CA . 25282 1 125 . 1 1 27 27 ARG CB C 13 29.835 0.023 . . . . . . 27 ARG CB . 25282 1 126 . 1 1 27 27 ARG N N 15 117.993 0.013 . . . . . . 27 ARG N . 25282 1 127 . 1 1 28 28 TYR H H 1 7.693 0.003 . . . . . . 28 TYR H . 25282 1 128 . 1 1 28 28 TYR C C 13 178.028 0.000 . . . . . . 28 TYR C . 25282 1 129 . 1 1 28 28 TYR CA C 13 61.130 0.074 . . . . . . 28 TYR CA . 25282 1 130 . 1 1 28 28 TYR CB C 13 37.852 0.030 . . . . . . 28 TYR CB . 25282 1 131 . 1 1 28 28 TYR N N 15 120.144 0.015 . . . . . . 28 TYR N . 25282 1 132 . 1 1 29 29 LEU H H 1 8.140 0.002 . . . . . . 29 LEU H . 25282 1 133 . 1 1 29 29 LEU C C 13 178.312 0.000 . . . . . . 29 LEU C . 25282 1 134 . 1 1 29 29 LEU CA C 13 57.582 0.064 . . . . . . 29 LEU CA . 25282 1 135 . 1 1 29 29 LEU CB C 13 42.017 0.000 . . . . . . 29 LEU CB . 25282 1 136 . 1 1 29 29 LEU N N 15 119.307 0.051 . . . . . . 29 LEU N . 25282 1 137 . 1 1 30 30 LEU H H 1 8.117 0.003 . . . . . . 30 LEU H . 25282 1 138 . 1 1 30 30 LEU C C 13 178.524 0.000 . . . . . . 30 LEU C . 25282 1 139 . 1 1 30 30 LEU CA C 13 58.108 0.026 . . . . . . 30 LEU CA . 25282 1 140 . 1 1 30 30 LEU CB C 13 41.959 0.015 . . . . . . 30 LEU CB . 25282 1 141 . 1 1 30 30 LEU N N 15 118.477 0.010 . . . . . . 30 LEU N . 25282 1 142 . 1 1 31 31 HIS H H 1 7.757 0.001 . . . . . . 31 HIS H . 25282 1 143 . 1 1 31 31 HIS C C 13 178.179 0.000 . . . . . . 31 HIS C . 25282 1 144 . 1 1 31 31 HIS CA C 13 58.609 0.032 . . . . . . 31 HIS CA . 25282 1 145 . 1 1 31 31 HIS CB C 13 27.833 0.052 . . . . . . 31 HIS CB . 25282 1 146 . 1 1 31 31 HIS N N 15 114.178 0.015 . . . . . . 31 HIS N . 25282 1 147 . 1 1 32 32 LYS H H 1 7.692 0.003 . . . . . . 32 LYS H . 25282 1 148 . 1 1 32 32 LYS C C 13 178.694 0.000 . . . . . . 32 LYS C . 25282 1 149 . 1 1 32 32 LYS CA C 13 58.226 0.047 . . . . . . 32 LYS CA . 25282 1 150 . 1 1 32 32 LYS CB C 13 31.425 0.010 . . . . . . 32 LYS CB . 25282 1 151 . 1 1 32 32 LYS N N 15 120.840 0.010 . . . . . . 32 LYS N . 25282 1 152 . 1 1 33 33 LEU H H 1 7.393 0.003 . . . . . . 33 LEU H . 25282 1 153 . 1 1 33 33 LEU C C 13 177.727 0.000 . . . . . . 33 LEU C . 25282 1 154 . 1 1 33 33 LEU CA C 13 56.163 0.013 . . . . . . 33 LEU CA . 25282 1 155 . 1 1 33 33 LEU CB C 13 41.534 0.049 . . . . . . 33 LEU CB . 25282 1 156 . 1 1 33 33 LEU N N 15 116.614 0.006 . . . . . . 33 LEU N . 25282 1 157 . 1 1 34 34 GLU H H 1 7.296 0.002 . . . . . . 34 GLU H . 25282 1 158 . 1 1 34 34 GLU C C 13 176.255 0.000 . . . . . . 34 GLU C . 25282 1 159 . 1 1 34 34 GLU CA C 13 59.385 0.067 . . . . . . 34 GLU CA . 25282 1 160 . 1 1 34 34 GLU CB C 13 29.884 0.000 . . . . . . 34 GLU CB . 25282 1 161 . 1 1 34 34 GLU N N 15 117.882 0.022 . . . . . . 34 GLU N . 25282 1 162 . 1 1 35 35 ASN H H 1 7.564 0.001 . . . . . . 35 ASN H . 25282 1 163 . 1 1 35 35 ASN C C 13 174.868 0.000 . . . . . . 35 ASN C . 25282 1 164 . 1 1 35 35 ASN CA C 13 52.320 0.028 . . . . . . 35 ASN CA . 25282 1 165 . 1 1 35 35 ASN CB C 13 39.704 0.000 . . . . . . 35 ASN CB . 25282 1 166 . 1 1 35 35 ASN N N 15 112.301 0.007 . . . . . . 35 ASN N . 25282 1 167 . 1 1 36 36 VAL H H 1 7.010 0.002 . . . . . . 36 VAL H . 25282 1 168 . 1 1 36 36 VAL C C 13 175.027 0.000 . . . . . . 36 VAL C . 25282 1 169 . 1 1 36 36 VAL CA C 13 63.557 0.048 . . . . . . 36 VAL CA . 25282 1 170 . 1 1 36 36 VAL CB C 13 32.462 0.000 . . . . . . 36 VAL CB . 25282 1 171 . 1 1 36 36 VAL N N 15 120.551 0.009 . . . . . . 36 VAL N . 25282 1 172 . 1 1 37 37 GLU H H 1 8.888 0.003 . . . . . . 37 GLU H . 25282 1 173 . 1 1 37 37 GLU C C 13 176.525 0.000 . . . . . . 37 GLU C . 25282 1 174 . 1 1 37 37 GLU CA C 13 56.867 0.032 . . . . . . 37 GLU CA . 25282 1 175 . 1 1 37 37 GLU CB C 13 32.582 0.000 . . . . . . 37 GLU CB . 25282 1 176 . 1 1 37 37 GLU N N 15 124.594 0.005 . . . . . . 37 GLU N . 25282 1 177 . 1 1 38 38 ASN H H 1 7.958 0.001 . . . . . . 38 ASN H . 25282 1 178 . 1 1 38 38 ASN HD21 H 1 7.399 0.000 . . . . . . 38 ASN HD21 . 25282 1 179 . 1 1 38 38 ASN HD22 H 1 6.748 0.000 . . . . . . 38 ASN HD22 . 25282 1 180 . 1 1 38 38 ASN C C 13 172.641 0.000 . . . . . . 38 ASN C . 25282 1 181 . 1 1 38 38 ASN CA C 13 52.407 0.009 . . . . . . 38 ASN CA . 25282 1 182 . 1 1 38 38 ASN CB C 13 41.806 0.000 . . . . . . 38 ASN CB . 25282 1 183 . 1 1 38 38 ASN CG C 13 175.686 0.001 . . . . . . 38 ASN CG . 25282 1 184 . 1 1 38 38 ASN N N 15 116.595 0.013 . . . . . . 38 ASN N . 25282 1 185 . 1 1 38 38 ASN ND2 N 15 114.202 0.007 . . . . . . 38 ASN ND2 . 25282 1 186 . 1 1 39 39 VAL H H 1 8.582 0.003 . . . . . . 39 VAL H . 25282 1 187 . 1 1 39 39 VAL C C 13 173.582 0.000 . . . . . . 39 VAL C . 25282 1 188 . 1 1 39 39 VAL CA C 13 60.515 0.035 . . . . . . 39 VAL CA . 25282 1 189 . 1 1 39 39 VAL CB C 13 35.032 0.000 . . . . . . 39 VAL CB . 25282 1 190 . 1 1 39 39 VAL N N 15 116.506 0.006 . . . . . . 39 VAL N . 25282 1 191 . 1 1 40 40 ASP H H 1 8.343 0.002 . . . . . . 40 ASP H . 25282 1 192 . 1 1 40 40 ASP C C 13 176.659 0.000 . . . . . . 40 ASP C . 25282 1 193 . 1 1 40 40 ASP CA C 13 53.761 0.022 . . . . . . 40 ASP CA . 25282 1 194 . 1 1 40 40 ASP CB C 13 42.075 0.023 . . . . . . 40 ASP CB . 25282 1 195 . 1 1 40 40 ASP N N 15 125.605 0.012 . . . . . . 40 ASP N . 25282 1 196 . 1 1 41 41 ILE H H 1 7.731 0.002 . . . . . . 41 ILE H . 25282 1 197 . 1 1 41 41 ILE C C 13 176.745 0.000 . . . . . . 41 ILE C . 25282 1 198 . 1 1 41 41 ILE CA C 13 63.743 0.057 . . . . . . 41 ILE CA . 25282 1 199 . 1 1 41 41 ILE CB C 13 36.933 0.057 . . . . . . 41 ILE CB . 25282 1 200 . 1 1 41 41 ILE N N 15 118.578 0.013 . . . . . . 41 ILE N . 25282 1 201 . 1 1 42 42 ASP H H 1 8.415 0.003 . . . . . . 42 ASP H . 25282 1 202 . 1 1 42 42 ASP C C 13 178.375 0.000 . . . . . . 42 ASP C . 25282 1 203 . 1 1 42 42 ASP CA C 13 58.296 0.020 . . . . . . 42 ASP CA . 25282 1 204 . 1 1 42 42 ASP CB C 13 41.391 0.076 . . . . . . 42 ASP CB . 25282 1 205 . 1 1 42 42 ASP N N 15 122.034 0.035 . . . . . . 42 ASP N . 25282 1 206 . 1 1 43 43 THR H H 1 8.046 0.002 . . . . . . 43 THR H . 25282 1 207 . 1 1 43 43 THR C C 13 175.442 0.000 . . . . . . 43 THR C . 25282 1 208 . 1 1 43 43 THR CA C 13 67.026 0.034 . . . . . . 43 THR CA . 25282 1 209 . 1 1 43 43 THR CB C 13 67.405 0.000 . . . . . . 43 THR CB . 25282 1 210 . 1 1 43 43 THR N N 15 118.548 0.004 . . . . . . 43 THR N . 25282 1 211 . 1 1 44 44 LEU H H 1 7.969 0.002 . . . . . . 44 LEU H . 25282 1 212 . 1 1 44 44 LEU C C 13 177.923 0.000 . . . . . . 44 LEU C . 25282 1 213 . 1 1 44 44 LEU CA C 13 58.310 0.006 . . . . . . 44 LEU CA . 25282 1 214 . 1 1 44 44 LEU CB C 13 42.487 0.019 . . . . . . 44 LEU CB . 25282 1 215 . 1 1 44 44 LEU N N 15 120.608 0.031 . . . . . . 44 LEU N . 25282 1 216 . 1 1 45 45 ARG H H 1 8.682 0.003 . . . . . . 45 ARG H . 25282 1 217 . 1 1 45 45 ARG C C 13 178.176 0.000 . . . . . . 45 ARG C . 25282 1 218 . 1 1 45 45 ARG CA C 13 60.784 0.053 . . . . . . 45 ARG CA . 25282 1 219 . 1 1 45 45 ARG CB C 13 29.711 0.079 . . . . . . 45 ARG CB . 25282 1 220 . 1 1 45 45 ARG N N 15 117.812 0.018 . . . . . . 45 ARG N . 25282 1 221 . 1 1 46 46 ARG H H 1 7.816 0.002 . . . . . . 46 ARG H . 25282 1 222 . 1 1 46 46 ARG C C 13 178.914 0.000 . . . . . . 46 ARG C . 25282 1 223 . 1 1 46 46 ARG CA C 13 59.442 0.065 . . . . . . 46 ARG CA . 25282 1 224 . 1 1 46 46 ARG CB C 13 30.415 0.007 . . . . . . 46 ARG CB . 25282 1 225 . 1 1 46 46 ARG N N 15 117.677 0.022 . . . . . . 46 ARG N . 25282 1 226 . 1 1 47 47 ALA H H 1 8.450 0.003 . . . . . . 47 ALA H . 25282 1 227 . 1 1 47 47 ALA C C 13 179.703 0.000 . . . . . . 47 ALA C . 25282 1 228 . 1 1 47 47 ALA CA C 13 55.081 0.033 . . . . . . 47 ALA CA . 25282 1 229 . 1 1 47 47 ALA CB C 13 20.861 0.044 . . . . . . 47 ALA CB . 25282 1 230 . 1 1 47 47 ALA N N 15 120.587 0.019 . . . . . . 47 ALA N . 25282 1 231 . 1 1 48 48 ILE H H 1 8.474 0.003 . . . . . . 48 ILE H . 25282 1 232 . 1 1 48 48 ILE C C 13 177.227 0.000 . . . . . . 48 ILE C . 25282 1 233 . 1 1 48 48 ILE CA C 13 65.422 0.048 . . . . . . 48 ILE CA . 25282 1 234 . 1 1 48 48 ILE CB C 13 38.195 0.140 . . . . . . 48 ILE CB . 25282 1 235 . 1 1 48 48 ILE N N 15 119.450 0.020 . . . . . . 48 ILE N . 25282 1 236 . 1 1 49 49 GLU H H 1 8.073 0.003 . . . . . . 49 GLU H . 25282 1 237 . 1 1 49 49 GLU C C 13 176.805 0.000 . . . . . . 49 GLU C . 25282 1 238 . 1 1 49 49 GLU CA C 13 58.285 0.021 . . . . . . 49 GLU CA . 25282 1 239 . 1 1 49 49 GLU CB C 13 29.912 0.022 . . . . . . 49 GLU CB . 25282 1 240 . 1 1 49 49 GLU N N 15 117.070 0.013 . . . . . . 49 GLU N . 25282 1 241 . 1 1 50 50 ALA H H 1 7.029 0.006 . . . . . . 50 ALA H . 25282 1 242 . 1 1 50 50 ALA C C 13 177.195 0.000 . . . . . . 50 ALA C . 25282 1 243 . 1 1 50 50 ALA CA C 13 52.212 0.021 . . . . . . 50 ALA CA . 25282 1 244 . 1 1 50 50 ALA CB C 13 18.767 0.033 . . . . . . 50 ALA CB . 25282 1 245 . 1 1 50 50 ALA N N 15 121.230 0.018 . . . . . . 50 ALA N . 25282 1 246 . 1 1 51 51 GLU H H 1 8.834 0.005 . . . . . . 51 GLU H . 25282 1 247 . 1 1 51 51 GLU CA C 13 56.522 0.029 . . . . . . 51 GLU CA . 25282 1 248 . 1 1 51 51 GLU CB C 13 29.526 0.006 . . . . . . 51 GLU CB . 25282 1 249 . 1 1 51 51 GLU N N 15 124.040 0.012 . . . . . . 51 GLU N . 25282 1 250 . 1 1 52 52 LYS H H 1 8.927 0.007 . . . . . . 52 LYS H . 25282 1 251 . 1 1 52 52 LYS C C 13 175.098 0.000 . . . . . . 52 LYS C . 25282 1 252 . 1 1 52 52 LYS CA C 13 55.373 0.059 . . . . . . 52 LYS CA . 25282 1 253 . 1 1 52 52 LYS CB C 13 28.084 0.000 . . . . . . 52 LYS CB . 25282 1 254 . 1 1 52 52 LYS N N 15 130.487 0.013 . . . . . . 52 LYS N . 25282 1 255 . 1 1 53 53 LYS H H 1 7.055 0.005 . . . . . . 53 LYS H . 25282 1 256 . 1 1 53 53 LYS C C 13 175.856 0.000 . . . . . . 53 LYS C . 25282 1 257 . 1 1 53 53 LYS CA C 13 56.295 0.032 . . . . . . 53 LYS CA . 25282 1 258 . 1 1 53 53 LYS CB C 13 33.867 0.030 . . . . . . 53 LYS CB . 25282 1 259 . 1 1 53 53 LYS N N 15 118.255 0.027 . . . . . . 53 LYS N . 25282 1 260 . 1 1 54 54 TYR H H 1 8.537 0.004 . . . . . . 54 TYR H . 25282 1 261 . 1 1 54 54 TYR C C 13 174.196 0.000 . . . . . . 54 TYR C . 25282 1 262 . 1 1 54 54 TYR CA C 13 58.141 0.040 . . . . . . 54 TYR CA . 25282 1 263 . 1 1 54 54 TYR CB C 13 37.953 0.029 . . . . . . 54 TYR CB . 25282 1 264 . 1 1 54 54 TYR N N 15 120.149 0.055 . . . . . . 54 TYR N . 25282 1 265 . 1 1 55 55 LYS H H 1 8.479 0.002 . . . . . . 55 LYS H . 25282 1 266 . 1 1 55 55 LYS C C 13 176.734 0.000 . . . . . . 55 LYS C . 25282 1 267 . 1 1 55 55 LYS CA C 13 55.322 0.068 . . . . . . 55 LYS CA . 25282 1 268 . 1 1 55 55 LYS CB C 13 34.044 0.023 . . . . . . 55 LYS CB . 25282 1 269 . 1 1 55 55 LYS N N 15 126.448 0.015 . . . . . . 55 LYS N . 25282 1 270 . 1 1 56 56 ARG H H 1 8.895 0.003 . . . . . . 56 ARG H . 25282 1 271 . 1 1 56 56 ARG C C 13 173.959 0.000 . . . . . . 56 ARG C . 25282 1 272 . 1 1 56 56 ARG CA C 13 54.188 0.035 . . . . . . 56 ARG CA . 25282 1 273 . 1 1 56 56 ARG CB C 13 32.922 0.000 . . . . . . 56 ARG CB . 25282 1 274 . 1 1 56 56 ARG N N 15 126.516 0.005 . . . . . . 56 ARG N . 25282 1 275 . 1 1 57 57 SER H H 1 8.631 0.003 . . . . . . 57 SER H . 25282 1 276 . 1 1 57 57 SER C C 13 173.622 0.000 . . . . . . 57 SER C . 25282 1 277 . 1 1 57 57 SER CA C 13 56.812 0.062 . . . . . . 57 SER CA . 25282 1 278 . 1 1 57 57 SER CB C 13 64.959 0.000 . . . . . . 57 SER CB . 25282 1 279 . 1 1 57 57 SER N N 15 120.476 0.015 . . . . . . 57 SER N . 25282 1 280 . 1 1 58 58 ILE H H 1 8.711 0.005 . . . . . . 58 ILE H . 25282 1 281 . 1 1 58 58 ILE C C 13 173.997 0.000 . . . . . . 58 ILE C . 25282 1 282 . 1 1 58 58 ILE CA C 13 59.555 0.054 . . . . . . 58 ILE CA . 25282 1 283 . 1 1 58 58 ILE CB C 13 42.545 0.000 . . . . . . 58 ILE CB . 25282 1 284 . 1 1 58 58 ILE N N 15 117.977 0.005 . . . . . . 58 ILE N . 25282 1 285 . 1 1 59 59 THR H H 1 8.458 0.002 . . . . . . 59 THR H . 25282 1 286 . 1 1 59 59 THR C C 13 174.639 0.000 . . . . . . 59 THR C . 25282 1 287 . 1 1 59 59 THR CA C 13 62.168 0.014 . . . . . . 59 THR CA . 25282 1 288 . 1 1 59 59 THR CB C 13 68.745 0.000 . . . . . . 59 THR CB . 25282 1 289 . 1 1 59 59 THR N N 15 119.345 0.022 . . . . . . 59 THR N . 25282 1 290 . 1 1 60 60 LEU H H 1 8.719 0.003 . . . . . . 60 LEU H . 25282 1 291 . 1 1 60 60 LEU C C 13 178.515 0.000 . . . . . . 60 LEU C . 25282 1 292 . 1 1 60 60 LEU CA C 13 54.297 0.008 . . . . . . 60 LEU CA . 25282 1 293 . 1 1 60 60 LEU CB C 13 43.491 0.000 . . . . . . 60 LEU CB . 25282 1 294 . 1 1 60 60 LEU N N 15 127.233 0.014 . . . . . . 60 LEU N . 25282 1 295 . 1 1 61 61 THR H H 1 8.985 0.003 . . . . . . 61 THR H . 25282 1 296 . 1 1 61 61 THR C C 13 175.728 0.000 . . . . . . 61 THR C . 25282 1 297 . 1 1 61 61 THR CA C 13 60.563 0.086 . . . . . . 61 THR CA . 25282 1 298 . 1 1 61 61 THR CB C 13 71.046 0.057 . . . . . . 61 THR CB . 25282 1 299 . 1 1 61 61 THR N N 15 113.863 0.012 . . . . . . 61 THR N . 25282 1 300 . 1 1 62 62 GLU H H 1 8.989 0.002 . . . . . . 62 GLU H . 25282 1 301 . 1 1 62 62 GLU C C 13 179.069 0.000 . . . . . . 62 GLU C . 25282 1 302 . 1 1 62 62 GLU CA C 13 60.493 0.050 . . . . . . 62 GLU CA . 25282 1 303 . 1 1 62 62 GLU CB C 13 29.153 0.000 . . . . . . 62 GLU CB . 25282 1 304 . 1 1 62 62 GLU N N 15 120.959 0.022 . . . . . . 62 GLU N . 25282 1 305 . 1 1 63 63 GLU H H 1 8.482 0.001 . . . . . . 63 GLU H . 25282 1 306 . 1 1 63 63 GLU C C 13 179.684 0.000 . . . . . . 63 GLU C . 25282 1 307 . 1 1 63 63 GLU CA C 13 59.685 0.046 . . . . . . 63 GLU CA . 25282 1 308 . 1 1 63 63 GLU CB C 13 29.267 0.000 . . . . . . 63 GLU CB . 25282 1 309 . 1 1 63 63 GLU N N 15 117.389 0.005 . . . . . . 63 GLU N . 25282 1 310 . 1 1 64 64 GLU H H 1 7.547 0.001 . . . . . . 64 GLU H . 25282 1 311 . 1 1 64 64 GLU C C 13 178.408 0.000 . . . . . . 64 GLU C . 25282 1 312 . 1 1 64 64 GLU CA C 13 58.561 0.047 . . . . . . 64 GLU CA . 25282 1 313 . 1 1 64 64 GLU CB C 13 30.172 0.000 . . . . . . 64 GLU CB . 25282 1 314 . 1 1 64 64 GLU N N 15 119.424 0.009 . . . . . . 64 GLU N . 25282 1 315 . 1 1 65 65 GLU H H 1 8.401 0.002 . . . . . . 65 GLU H . 25282 1 316 . 1 1 65 65 GLU C C 13 178.750 0.000 . . . . . . 65 GLU C . 25282 1 317 . 1 1 65 65 GLU CA C 13 60.252 0.038 . . . . . . 65 GLU CA . 25282 1 318 . 1 1 65 65 GLU CB C 13 29.539 0.000 . . . . . . 65 GLU CB . 25282 1 319 . 1 1 65 65 GLU N N 15 119.724 0.005 . . . . . . 65 GLU N . 25282 1 320 . 1 1 66 66 VAL H H 1 7.351 0.002 . . . . . . 66 VAL H . 25282 1 321 . 1 1 66 66 VAL C C 13 178.441 0.000 . . . . . . 66 VAL C . 25282 1 322 . 1 1 66 66 VAL CA C 13 66.427 0.075 . . . . . . 66 VAL CA . 25282 1 323 . 1 1 66 66 VAL CB C 13 31.628 0.000 . . . . . . 66 VAL CB . 25282 1 324 . 1 1 66 66 VAL N N 15 118.366 0.007 . . . . . . 66 VAL N . 25282 1 325 . 1 1 67 67 ILE H H 1 7.182 0.001 . . . . . . 67 ILE H . 25282 1 326 . 1 1 67 67 ILE C C 13 178.084 0.000 . . . . . . 67 ILE C . 25282 1 327 . 1 1 67 67 ILE CA C 13 65.278 0.062 . . . . . . 67 ILE CA . 25282 1 328 . 1 1 67 67 ILE CB C 13 38.456 0.000 . . . . . . 67 ILE CB . 25282 1 329 . 1 1 67 67 ILE N N 15 120.068 0.010 . . . . . . 67 ILE N . 25282 1 330 . 1 1 68 68 ILE H H 1 7.784 0.001 . . . . . . 68 ILE H . 25282 1 331 . 1 1 68 68 ILE C C 13 178.894 0.000 . . . . . . 68 ILE C . 25282 1 332 . 1 1 68 68 ILE CA C 13 63.589 0.043 . . . . . . 68 ILE CA . 25282 1 333 . 1 1 68 68 ILE CB C 13 36.666 0.000 . . . . . . 68 ILE CB . 25282 1 334 . 1 1 68 68 ILE N N 15 117.040 0.019 . . . . . . 68 ILE N . 25282 1 335 . 1 1 69 69 GLN H H 1 8.460 0.003 . . . . . . 69 GLN H . 25282 1 336 . 1 1 69 69 GLN C C 13 178.390 0.000 . . . . . . 69 GLN C . 25282 1 337 . 1 1 69 69 GLN CA C 13 58.939 0.063 . . . . . . 69 GLN CA . 25282 1 338 . 1 1 69 69 GLN CB C 13 28.208 0.000 . . . . . . 69 GLN CB . 25282 1 339 . 1 1 69 69 GLN N N 15 121.640 0.041 . . . . . . 69 GLN N . 25282 1 340 . 1 1 70 70 ARG H H 1 7.568 0.001 . . . . . . 70 ARG H . 25282 1 341 . 1 1 70 70 ARG C C 13 177.717 0.000 . . . . . . 70 ARG C . 25282 1 342 . 1 1 70 70 ARG CA C 13 58.844 0.080 . . . . . . 70 ARG CA . 25282 1 343 . 1 1 70 70 ARG CB C 13 30.237 0.000 . . . . . . 70 ARG CB . 25282 1 344 . 1 1 70 70 ARG N N 15 118.335 0.009 . . . . . . 70 ARG N . 25282 1 345 . 1 1 71 71 LEU H H 1 7.615 0.002 . . . . . . 71 LEU H . 25282 1 346 . 1 1 71 71 LEU C C 13 179.354 0.000 . . . . . . 71 LEU C . 25282 1 347 . 1 1 71 71 LEU CA C 13 55.398 0.053 . . . . . . 71 LEU CA . 25282 1 348 . 1 1 71 71 LEU CB C 13 41.681 0.000 . . . . . . 71 LEU CB . 25282 1 349 . 1 1 71 71 LEU N N 15 115.623 0.010 . . . . . . 71 LEU N . 25282 1 350 . 1 1 72 72 GLY H H 1 8.377 0.003 . . . . . . 72 GLY H . 25282 1 351 . 1 1 72 72 GLY C C 13 176.722 0.000 . . . . . . 72 GLY C . 25282 1 352 . 1 1 72 72 GLY CA C 13 46.494 0.032 . . . . . . 72 GLY CA . 25282 1 353 . 1 1 72 72 GLY N N 15 110.213 0.012 . . . . . . 72 GLY N . 25282 1 354 . 1 1 73 73 LYS H H 1 9.645 0.003 . . . . . . 73 LYS H . 25282 1 355 . 1 1 73 73 LYS C C 13 177.323 0.000 . . . . . . 73 LYS C . 25282 1 356 . 1 1 73 73 LYS CA C 13 58.232 0.018 . . . . . . 73 LYS CA . 25282 1 357 . 1 1 73 73 LYS CB C 13 32.667 0.000 . . . . . . 73 LYS CB . 25282 1 358 . 1 1 73 73 LYS N N 15 125.363 0.013 . . . . . . 73 LYS N . 25282 1 359 . 1 1 74 74 SER H H 1 8.199 0.001 . . . . . . 74 SER H . 25282 1 360 . 1 1 74 74 SER C C 13 174.033 0.000 . . . . . . 74 SER C . 25282 1 361 . 1 1 74 74 SER CA C 13 60.297 0.057 . . . . . . 74 SER CA . 25282 1 362 . 1 1 74 74 SER CB C 13 65.147 0.000 . . . . . . 74 SER CB . 25282 1 363 . 1 1 74 74 SER N N 15 113.323 0.007 . . . . . . 74 SER N . 25282 1 364 . 1 1 75 75 ALA H H 1 7.564 0.001 . . . . . . 75 ALA H . 25282 1 365 . 1 1 75 75 ALA C C 13 177.912 0.000 . . . . . . 75 ALA C . 25282 1 366 . 1 1 75 75 ALA CA C 13 56.742 0.036 . . . . . . 75 ALA CA . 25282 1 367 . 1 1 75 75 ALA CB C 13 18.567 0.000 . . . . . . 75 ALA CB . 25282 1 368 . 1 1 75 75 ALA N N 15 123.311 0.009 . . . . . . 75 ALA N . 25282 1 369 . 1 1 76 76 ASN H H 1 8.568 0.002 . . . . . . 76 ASN H . 25282 1 370 . 1 1 76 76 ASN C C 13 178.927 0.000 . . . . . . 76 ASN C . 25282 1 371 . 1 1 76 76 ASN CA C 13 59.113 0.045 . . . . . . 76 ASN CA . 25282 1 372 . 1 1 76 76 ASN CB C 13 40.615 0.040 . . . . . . 76 ASN CB . 25282 1 373 . 1 1 76 76 ASN N N 15 115.294 0.010 . . . . . . 76 ASN N . 25282 1 374 . 1 1 77 77 LEU H H 1 8.882 0.005 . . . . . . 77 LEU H . 25282 1 375 . 1 1 77 77 LEU C C 13 179.836 0.000 . . . . . . 77 LEU C . 25282 1 376 . 1 1 77 77 LEU CA C 13 58.431 0.045 . . . . . . 77 LEU CA . 25282 1 377 . 1 1 77 77 LEU CB C 13 41.444 0.041 . . . . . . 77 LEU CB . 25282 1 378 . 1 1 77 77 LEU N N 15 122.740 0.030 . . . . . . 77 LEU N . 25282 1 379 . 1 1 78 78 LEU H H 1 8.485 0.003 . . . . . . 78 LEU H . 25282 1 380 . 1 1 78 78 LEU C C 13 179.176 0.000 . . . . . . 78 LEU C . 25282 1 381 . 1 1 78 78 LEU CA C 13 58.225 0.043 . . . . . . 78 LEU CA . 25282 1 382 . 1 1 78 78 LEU CB C 13 41.649 0.132 . . . . . . 78 LEU CB . 25282 1 383 . 1 1 78 78 LEU N N 15 119.918 0.027 . . . . . . 78 LEU N . 25282 1 384 . 1 1 79 79 LEU H H 1 7.604 0.002 . . . . . . 79 LEU H . 25282 1 385 . 1 1 79 79 LEU C C 13 179.483 0.000 . . . . . . 79 LEU C . 25282 1 386 . 1 1 79 79 LEU CA C 13 58.081 0.010 . . . . . . 79 LEU CA . 25282 1 387 . 1 1 79 79 LEU CB C 13 41.370 0.000 . . . . . . 79 LEU CB . 25282 1 388 . 1 1 79 79 LEU N N 15 116.175 0.044 . . . . . . 79 LEU N . 25282 1 389 . 1 1 80 80 ASN H H 1 8.437 0.005 . . . . . . 80 ASN H . 25282 1 390 . 1 1 80 80 ASN HD21 H 1 7.438 0.000 . . . . . . 80 ASN HD21 . 25282 1 391 . 1 1 80 80 ASN HD22 H 1 6.835 0.000 . . . . . . 80 ASN HD22 . 25282 1 392 . 1 1 80 80 ASN C C 13 177.520 0.000 . . . . . . 80 ASN C . 25282 1 393 . 1 1 80 80 ASN CA C 13 58.493 0.044 . . . . . . 80 ASN CA . 25282 1 394 . 1 1 80 80 ASN CB C 13 40.591 0.000 . . . . . . 80 ASN CB . 25282 1 395 . 1 1 80 80 ASN CG C 13 177.375 0.000 . . . . . . 80 ASN CG . 25282 1 396 . 1 1 80 80 ASN N N 15 122.124 0.007 . . . . . . 80 ASN N . 25282 1 397 . 1 1 80 80 ASN ND2 N 15 112.469 0.006 . . . . . . 80 ASN ND2 . 25282 1 398 . 1 1 81 81 CYS H H 1 8.591 0.003 . . . . . . 81 CYS H . 25282 1 399 . 1 1 81 81 CYS C C 13 176.040 0.000 . . . . . . 81 CYS C . 25282 1 400 . 1 1 81 81 CYS CA C 13 64.595 0.085 . . . . . . 81 CYS CA . 25282 1 401 . 1 1 81 81 CYS CB C 13 26.796 0.009 . . . . . . 81 CYS CB . 25282 1 402 . 1 1 81 81 CYS N N 15 118.906 0.010 . . . . . . 81 CYS N . 25282 1 403 . 1 1 82 82 GLU H H 1 7.915 0.001 . . . . . . 82 GLU H . 25282 1 404 . 1 1 82 82 GLU C C 13 178.893 0.000 . . . . . . 82 GLU C . 25282 1 405 . 1 1 82 82 GLU CA C 13 58.713 0.032 . . . . . . 82 GLU CA . 25282 1 406 . 1 1 82 82 GLU CB C 13 29.362 0.000 . . . . . . 82 GLU CB . 25282 1 407 . 1 1 82 82 GLU N N 15 118.321 0.013 . . . . . . 82 GLU N . 25282 1 408 . 1 1 83 83 LEU H H 1 7.813 0.001 . . . . . . 83 LEU H . 25282 1 409 . 1 1 83 83 LEU C C 13 178.057 0.000 . . . . . . 83 LEU C . 25282 1 410 . 1 1 83 83 LEU CA C 13 58.063 0.043 . . . . . . 83 LEU CA . 25282 1 411 . 1 1 83 83 LEU CB C 13 41.735 0.000 . . . . . . 83 LEU CB . 25282 1 412 . 1 1 83 83 LEU N N 15 121.447 0.008 . . . . . . 83 LEU N . 25282 1 413 . 1 1 84 84 VAL H H 1 8.208 0.002 . . . . . . 84 VAL H . 25282 1 414 . 1 1 84 84 VAL C C 13 179.165 0.000 . . . . . . 84 VAL C . 25282 1 415 . 1 1 84 84 VAL CA C 13 66.143 0.062 . . . . . . 84 VAL CA . 25282 1 416 . 1 1 84 84 VAL CB C 13 31.458 0.000 . . . . . . 84 VAL CB . 25282 1 417 . 1 1 84 84 VAL N N 15 121.460 0.019 . . . . . . 84 VAL N . 25282 1 418 . 1 1 85 85 LYS H H 1 7.622 0.002 . . . . . . 85 LYS H . 25282 1 419 . 1 1 85 85 LYS C C 13 179.087 0.000 . . . . . . 85 LYS C . 25282 1 420 . 1 1 85 85 LYS CA C 13 59.142 0.051 . . . . . . 85 LYS CA . 25282 1 421 . 1 1 85 85 LYS CB C 13 32.505 0.000 . . . . . . 85 LYS CB . 25282 1 422 . 1 1 85 85 LYS N N 15 117.612 0.012 . . . . . . 85 LYS N . 25282 1 423 . 1 1 86 86 LEU H H 1 7.735 0.001 . . . . . . 86 LEU H . 25282 1 424 . 1 1 86 86 LEU C C 13 178.586 0.000 . . . . . . 86 LEU C . 25282 1 425 . 1 1 86 86 LEU CA C 13 56.936 0.025 . . . . . . 86 LEU CA . 25282 1 426 . 1 1 86 86 LEU CB C 13 42.171 0.000 . . . . . . 86 LEU CB . 25282 1 427 . 1 1 86 86 LEU N N 15 119.793 0.007 . . . . . . 86 LEU N . 25282 1 428 . 1 1 87 87 ASP H H 1 8.201 0.002 . . . . . . 87 ASP H . 25282 1 429 . 1 1 87 87 ASP C C 13 177.760 0.000 . . . . . . 87 ASP C . 25282 1 430 . 1 1 87 87 ASP CA C 13 55.844 0.059 . . . . . . 87 ASP CA . 25282 1 431 . 1 1 87 87 ASP CB C 13 41.125 0.000 . . . . . . 87 ASP CB . 25282 1 432 . 1 1 87 87 ASP N N 15 120.478 0.012 . . . . . . 87 ASP N . 25282 1 433 . 1 1 88 88 GLU H H 1 8.168 0.001 . . . . . . 88 GLU H . 25282 1 434 . 1 1 88 88 GLU C C 13 177.634 0.000 . . . . . . 88 GLU C . 25282 1 435 . 1 1 88 88 GLU CA C 13 57.234 0.061 . . . . . . 88 GLU CA . 25282 1 436 . 1 1 88 88 GLU CB C 13 29.850 0.000 . . . . . . 88 GLU CB . 25282 1 437 . 1 1 88 88 GLU N N 15 119.607 0.007 . . . . . . 88 GLU N . 25282 1 438 . 1 1 89 89 GLY H H 1 8.032 0.001 . . . . . . 89 GLY H . 25282 1 439 . 1 1 89 89 GLY C C 13 174.316 0.000 . . . . . . 89 GLY C . 25282 1 440 . 1 1 89 89 GLY CA C 13 45.563 0.029 . . . . . . 89 GLY CA . 25282 1 441 . 1 1 89 89 GLY N N 15 107.795 0.003 . . . . . . 89 GLY N . 25282 1 442 . 1 1 90 90 GLU H H 1 8.068 0.001 . . . . . . 90 GLU H . 25282 1 443 . 1 1 90 90 GLU C C 13 176.386 0.000 . . . . . . 90 GLU C . 25282 1 444 . 1 1 90 90 GLU CA C 13 56.628 0.033 . . . . . . 90 GLU CA . 25282 1 445 . 1 1 90 90 GLU CB C 13 30.250 0.000 . . . . . . 90 GLU CB . 25282 1 446 . 1 1 90 90 GLU N N 15 120.284 0.002 . . . . . . 90 GLU N . 25282 1 447 . 1 1 91 91 ARG H H 1 8.109 0.001 . . . . . . 91 ARG H . 25282 1 448 . 1 1 91 91 ARG C C 13 174.971 0.000 . . . . . . 91 ARG C . 25282 1 449 . 1 1 91 91 ARG CA C 13 56.031 0.042 . . . . . . 91 ARG CA . 25282 1 450 . 1 1 91 91 ARG CB C 13 30.791 0.018 . . . . . . 91 ARG CB . 25282 1 451 . 1 1 91 91 ARG N N 15 121.857 0.003 . . . . . . 91 ARG N . 25282 1 452 . 1 1 92 92 ALA H H 1 7.852 0.001 . . . . . . 92 ALA H . 25282 1 453 . 1 1 92 92 ALA CA C 13 53.833 0.009 . . . . . . 92 ALA CA . 25282 1 454 . 1 1 92 92 ALA CB C 13 20.169 0.000 . . . . . . 92 ALA CB . 25282 1 455 . 1 1 92 92 ALA N N 15 130.812 0.013 . . . . . . 92 ALA N . 25282 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25282 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 6 '2D 1H-15N HSQC' . . . 25282 2 7 '3D HNCO' . . . 25282 2 8 '3D HNCA' . . . 25282 2 9 '3D HN(CO)CA' . . . 25282 2 10 '3D CBCA(CO)NH' . . . 25282 2 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 MET H H 1 8.813 0.003 . . . . . . 1 MET H . 25282 2 2 . 1 1 1 1 MET HA H 1 4.891 0.000 . . . . . . 1 MET HA . 25282 2 3 . 1 1 1 1 MET CA C 13 53.847 0.000 . . . . . . 1 MET CA . 25282 2 4 . 1 1 1 1 MET CB C 13 32.715 0.000 . . . . . . 1 MET CB . 25282 2 5 . 1 1 1 1 MET N N 15 121.465 0.008 . . . . . . 1 MET N . 25282 2 6 . 1 1 2 2 PRO C C 13 176.514 0.000 . . . . . . 2 PRO C . 25282 2 7 . 1 1 2 2 PRO CA C 13 63.185 0.014 . . . . . . 2 PRO CA . 25282 2 8 . 1 1 2 2 PRO CB C 13 32.194 0.001 . . . . . . 2 PRO CB . 25282 2 9 . 1 1 3 3 LEU H H 1 8.475 0.002 . . . . . . 3 LEU H . 25282 2 10 . 1 1 3 3 LEU HA H 1 4.445 0.000 . . . . . . 3 LEU HA . 25282 2 11 . 1 1 3 3 LEU C C 13 177.387 0.001 . . . . . . 3 LEU C . 25282 2 12 . 1 1 3 3 LEU CA C 13 55.346 0.018 . . . . . . 3 LEU CA . 25282 2 13 . 1 1 3 3 LEU CB C 13 42.440 0.008 . . . . . . 3 LEU CB . 25282 2 14 . 1 1 3 3 LEU N N 15 123.095 0.021 . . . . . . 3 LEU N . 25282 2 15 . 1 1 4 4 VAL H H 1 8.279 0.001 . . . . . . 4 VAL H . 25282 2 16 . 1 1 4 4 VAL HA H 1 4.223 0.000 . . . . . . 4 VAL HA . 25282 2 17 . 1 1 4 4 VAL C C 13 176.493 0.001 . . . . . . 4 VAL C . 25282 2 18 . 1 1 4 4 VAL CA C 13 62.304 0.018 . . . . . . 4 VAL CA . 25282 2 19 . 1 1 4 4 VAL CB C 13 33.186 0.012 . . . . . . 4 VAL CB . 25282 2 20 . 1 1 4 4 VAL N N 15 120.979 0.006 . . . . . . 4 VAL N . 25282 2 21 . 1 1 5 5 GLY H H 1 8.502 0.001 . . . . . . 5 GLY H . 25282 2 22 . 1 1 5 5 GLY HA2 H 1 3.988 0.000 . . . . . . 5 GLY HA . 25282 2 23 . 1 1 5 5 GLY HA3 H 1 3.988 0.000 . . . . . . 5 GLY HA . 25282 2 24 . 1 1 5 5 GLY C C 13 173.653 0.000 . . . . . . 5 GLY C . 25282 2 25 . 1 1 5 5 GLY CA C 13 45.251 0.010 . . . . . . 5 GLY CA . 25282 2 26 . 1 1 5 5 GLY N N 15 112.269 0.006 . . . . . . 5 GLY N . 25282 2 27 . 1 1 6 6 PHE H H 1 8.213 0.001 . . . . . . 6 PHE H . 25282 2 28 . 1 1 6 6 PHE HA H 1 4.707 0.000 . . . . . . 6 PHE HA . 25282 2 29 . 1 1 6 6 PHE C C 13 175.717 0.006 . . . . . . 6 PHE C . 25282 2 30 . 1 1 6 6 PHE CA C 13 57.871 0.016 . . . . . . 6 PHE CA . 25282 2 31 . 1 1 6 6 PHE CB C 13 40.014 0.002 . . . . . . 6 PHE CB . 25282 2 32 . 1 1 6 6 PHE N N 15 120.037 0.005 . . . . . . 6 PHE N . 25282 2 33 . 1 1 7 7 MET H H 1 8.499 0.001 . . . . . . 7 MET H . 25282 2 34 . 1 1 7 7 MET C C 13 176.427 0.000 . . . . . . 7 MET C . 25282 2 35 . 1 1 7 7 MET CA C 13 56.628 0.000 . . . . . . 7 MET CA . 25282 2 36 . 1 1 7 7 MET N N 15 122.727 0.016 . . . . . . 7 MET N . 25282 2 37 . 1 1 8 8 LYS C C 13 176.500 0.003 . . . . . . 8 LYS C . 25282 2 38 . 1 1 8 8 LYS CA C 13 56.695 0.000 . . . . . . 8 LYS CA . 25282 2 39 . 1 1 8 8 LYS CB C 13 33.291 0.015 . . . . . . 8 LYS CB . 25282 2 40 . 1 1 9 9 GLU H H 1 8.612 0.004 . . . . . . 9 GLU H . 25282 2 41 . 1 1 9 9 GLU HA H 1 4.353 0.000 . . . . . . 9 GLU HA . 25282 2 42 . 1 1 9 9 GLU C C 13 176.396 0.001 . . . . . . 9 GLU C . 25282 2 43 . 1 1 9 9 GLU CA C 13 56.571 0.000 . . . . . . 9 GLU CA . 25282 2 44 . 1 1 9 9 GLU CB C 13 30.709 0.000 . . . . . . 9 GLU CB . 25282 2 45 . 1 1 9 9 GLU N N 15 122.678 0.015 . . . . . . 9 GLU N . 25282 2 46 . 1 1 10 10 LYS H H 1 8.578 0.003 . . . . . . 10 LYS H . 25282 2 47 . 1 1 10 10 LYS C C 13 176.610 0.001 . . . . . . 10 LYS C . 25282 2 48 . 1 1 10 10 LYS CA C 13 56.555 0.022 . . . . . . 10 LYS CA . 25282 2 49 . 1 1 10 10 LYS CB C 13 33.163 0.000 . . . . . . 10 LYS CB . 25282 2 50 . 1 1 10 10 LYS N N 15 123.821 0.021 . . . . . . 10 LYS N . 25282 2 51 . 1 1 11 11 LYS H H 1 8.570 0.007 . . . . . . 11 LYS H . 25282 2 52 . 1 1 11 11 LYS HA H 1 4.388 0.000 . . . . . . 11 LYS HA . 25282 2 53 . 1 1 11 11 LYS C C 13 176.687 0.002 . . . . . . 11 LYS C . 25282 2 54 . 1 1 11 11 LYS CA C 13 56.547 0.000 . . . . . . 11 LYS CA . 25282 2 55 . 1 1 11 11 LYS CB C 13 33.367 0.029 . . . . . . 11 LYS CB . 25282 2 56 . 1 1 11 11 LYS N N 15 123.707 0.019 . . . . . . 11 LYS N . 25282 2 57 . 1 1 12 12 ARG H H 1 8.677 0.002 . . . . . . 12 ARG H . 25282 2 58 . 1 1 12 12 ARG HA H 1 4.402 0.000 . . . . . . 12 ARG HA . 25282 2 59 . 1 1 12 12 ARG C C 13 176.067 0.001 . . . . . . 12 ARG C . 25282 2 60 . 1 1 12 12 ARG CA C 13 56.280 0.050 . . . . . . 12 ARG CA . 25282 2 61 . 1 1 12 12 ARG CB C 13 31.255 0.009 . . . . . . 12 ARG CB . 25282 2 62 . 1 1 12 12 ARG N N 15 123.736 0.028 . . . . . . 12 ARG N . 25282 2 63 . 1 1 13 13 ALA H H 1 8.586 0.001 . . . . . . 13 ALA H . 25282 2 64 . 1 1 13 13 ALA HA H 1 4.432 0.000 . . . . . . 13 ALA HA . 25282 2 65 . 1 1 13 13 ALA C C 13 177.607 0.001 . . . . . . 13 ALA C . 25282 2 66 . 1 1 13 13 ALA CA C 13 52.542 0.020 . . . . . . 13 ALA CA . 25282 2 67 . 1 1 13 13 ALA CB C 13 19.550 0.003 . . . . . . 13 ALA CB . 25282 2 68 . 1 1 13 13 ALA N N 15 126.234 0.011 . . . . . . 13 ALA N . 25282 2 69 . 1 1 14 14 THR H H 1 8.236 0.001 . . . . . . 14 THR H . 25282 2 70 . 1 1 14 14 THR HA H 1 4.332 0.000 . . . . . . 14 THR HA . 25282 2 71 . 1 1 14 14 THR C C 13 173.963 0.000 . . . . . . 14 THR C . 25282 2 72 . 1 1 14 14 THR CA C 13 61.933 0.031 . . . . . . 14 THR CA . 25282 2 73 . 1 1 14 14 THR CB C 13 70.156 0.040 . . . . . . 14 THR CB . 25282 2 74 . 1 1 14 14 THR N N 15 114.114 0.005 . . . . . . 14 THR N . 25282 2 75 . 1 1 15 15 PHE H H 1 8.288 0.003 . . . . . . 15 PHE H . 25282 2 76 . 1 1 15 15 PHE HA H 1 4.693 0.000 . . . . . . 15 PHE HA . 25282 2 77 . 1 1 15 15 PHE C C 13 174.934 0.001 . . . . . . 15 PHE C . 25282 2 78 . 1 1 15 15 PHE CA C 13 57.609 0.011 . . . . . . 15 PHE CA . 25282 2 79 . 1 1 15 15 PHE CB C 13 40.211 0.003 . . . . . . 15 PHE CB . 25282 2 80 . 1 1 15 15 PHE N N 15 122.747 0.018 . . . . . . 15 PHE N . 25282 2 81 . 1 1 16 16 TYR H H 1 8.309 0.007 . . . . . . 16 TYR H . 25282 2 82 . 1 1 16 16 TYR HA H 1 4.583 0.000 . . . . . . 16 TYR HA . 25282 2 83 . 1 1 16 16 TYR C C 13 175.026 0.000 . . . . . . 16 TYR C . 25282 2 84 . 1 1 16 16 TYR CA C 13 57.733 0.057 . . . . . . 16 TYR CA . 25282 2 85 . 1 1 16 16 TYR CB C 13 39.387 0.021 . . . . . . 16 TYR CB . 25282 2 86 . 1 1 16 16 TYR N N 15 122.578 0.061 . . . . . . 16 TYR N . 25282 2 87 . 1 1 17 17 LEU H H 1 8.214 0.001 . . . . . . 17 LEU H . 25282 2 88 . 1 1 17 17 LEU HA H 1 4.360 0.000 . . . . . . 17 LEU HA . 25282 2 89 . 1 1 17 17 LEU C C 13 176.443 0.000 . . . . . . 17 LEU C . 25282 2 90 . 1 1 17 17 LEU CA C 13 54.937 0.054 . . . . . . 17 LEU CA . 25282 2 91 . 1 1 17 17 LEU CB C 13 42.863 0.001 . . . . . . 17 LEU CB . 25282 2 92 . 1 1 17 17 LEU N N 15 124.392 0.011 . . . . . . 17 LEU N . 25282 2 93 . 1 1 18 18 TYR H H 1 8.305 0.004 . . . . . . 18 TYR H . 25282 2 94 . 1 1 18 18 TYR HA H 1 4.658 0.000 . . . . . . 18 TYR HA . 25282 2 95 . 1 1 18 18 TYR C C 13 175.710 0.003 . . . . . . 18 TYR C . 25282 2 96 . 1 1 18 18 TYR CA C 13 57.849 0.010 . . . . . . 18 TYR CA . 25282 2 97 . 1 1 18 18 TYR CB C 13 39.088 0.023 . . . . . . 18 TYR CB . 25282 2 98 . 1 1 18 18 TYR N N 15 121.564 0.071 . . . . . . 18 TYR N . 25282 2 99 . 1 1 19 19 LYS H H 1 8.451 0.004 . . . . . . 19 LYS H . 25282 2 100 . 1 1 19 19 LYS HA H 1 4.426 0.000 . . . . . . 19 LYS HA . 25282 2 101 . 1 1 19 19 LYS C C 13 175.853 0.000 . . . . . . 19 LYS C . 25282 2 102 . 1 1 19 19 LYS CA C 13 56.322 0.027 . . . . . . 19 LYS CA . 25282 2 103 . 1 1 19 19 LYS CB C 13 33.801 0.013 . . . . . . 19 LYS CB . 25282 2 104 . 1 1 19 19 LYS N N 15 123.027 0.026 . . . . . . 19 LYS N . 25282 2 105 . 1 1 20 20 ASN H H 1 8.616 0.002 . . . . . . 20 ASN H . 25282 2 106 . 1 1 20 20 ASN HA H 1 4.812 0.000 . . . . . . 20 ASN HA . 25282 2 107 . 1 1 20 20 ASN C C 13 175.325 0.001 . . . . . . 20 ASN C . 25282 2 108 . 1 1 20 20 ASN CA C 13 53.403 0.010 . . . . . . 20 ASN CA . 25282 2 109 . 1 1 20 20 ASN CB C 13 38.996 0.002 . . . . . . 20 ASN CB . 25282 2 110 . 1 1 20 20 ASN N N 15 120.710 0.007 . . . . . . 20 ASN N . 25282 2 111 . 1 1 21 21 ILE H H 1 8.308 0.005 . . . . . . 21 ILE H . 25282 2 112 . 1 1 21 21 ILE HA H 1 4.244 0.000 . . . . . . 21 ILE HA . 25282 2 113 . 1 1 21 21 ILE C C 13 175.805 0.004 . . . . . . 21 ILE C . 25282 2 114 . 1 1 21 21 ILE CA C 13 61.443 0.021 . . . . . . 21 ILE CA . 25282 2 115 . 1 1 21 21 ILE CB C 13 39.074 0.014 . . . . . . 21 ILE CB . 25282 2 116 . 1 1 21 21 ILE N N 15 121.345 0.006 . . . . . . 21 ILE N . 25282 2 117 . 1 1 22 22 ASP H H 1 8.502 0.004 . . . . . . 22 ASP H . 25282 2 118 . 1 1 22 22 ASP HA H 1 4.719 0.000 . . . . . . 22 ASP HA . 25282 2 119 . 1 1 22 22 ASP C C 13 176.845 0.000 . . . . . . 22 ASP C . 25282 2 120 . 1 1 22 22 ASP CA C 13 54.418 0.046 . . . . . . 22 ASP CA . 25282 2 121 . 1 1 22 22 ASP CB C 13 41.491 0.024 . . . . . . 22 ASP CB . 25282 2 122 . 1 1 22 22 ASP N N 15 123.925 0.028 . . . . . . 22 ASP N . 25282 2 123 . 1 1 23 23 GLY H H 1 8.485 0.001 . . . . . . 23 GLY H . 25282 2 124 . 1 1 23 23 GLY HA2 H 1 4.031 0.000 . . . . . . 23 GLY HA . 25282 2 125 . 1 1 23 23 GLY HA3 H 1 4.031 0.000 . . . . . . 23 GLY HA . 25282 2 126 . 1 1 23 23 GLY C C 13 174.552 0.001 . . . . . . 23 GLY C . 25282 2 127 . 1 1 23 23 GLY CA C 13 45.795 0.012 . . . . . . 23 GLY CA . 25282 2 128 . 1 1 23 23 GLY N N 15 109.963 0.009 . . . . . . 23 GLY N . 25282 2 129 . 1 1 24 24 ARG H H 1 8.263 0.004 . . . . . . 24 ARG H . 25282 2 130 . 1 1 24 24 ARG HA H 1 4.378 0.000 . . . . . . 24 ARG HA . 25282 2 131 . 1 1 24 24 ARG C C 13 176.575 0.000 . . . . . . 24 ARG C . 25282 2 132 . 1 1 24 24 ARG CA C 13 56.736 0.039 . . . . . . 24 ARG CA . 25282 2 133 . 1 1 24 24 ARG CB C 13 30.852 0.019 . . . . . . 24 ARG CB . 25282 2 134 . 1 1 24 24 ARG N N 15 120.485 0.016 . . . . . . 24 ARG N . 25282 2 135 . 1 1 25 25 LYS H H 1 8.408 0.004 . . . . . . 25 LYS H . 25282 2 136 . 1 1 25 25 LYS HA H 1 4.402 0.000 . . . . . . 25 LYS HA . 25282 2 137 . 1 1 25 25 LYS C C 13 176.557 0.003 . . . . . . 25 LYS C . 25282 2 138 . 1 1 25 25 LYS CA C 13 56.493 0.070 . . . . . . 25 LYS CA . 25282 2 139 . 1 1 25 25 LYS CB C 13 33.091 0.012 . . . . . . 25 LYS CB . 25282 2 140 . 1 1 25 25 LYS N N 15 122.062 0.009 . . . . . . 25 LYS N . 25282 2 141 . 1 1 26 26 LEU H H 1 8.369 0.002 . . . . . . 26 LEU H . 25282 2 142 . 1 1 26 26 LEU HA H 1 4.404 0.000 . . . . . . 26 LEU HA . 25282 2 143 . 1 1 26 26 LEU C C 13 177.157 0.001 . . . . . . 26 LEU C . 25282 2 144 . 1 1 26 26 LEU CA C 13 55.187 0.024 . . . . . . 26 LEU CA . 25282 2 145 . 1 1 26 26 LEU CB C 13 42.587 0.004 . . . . . . 26 LEU CB . 25282 2 146 . 1 1 26 26 LEU N N 15 123.832 0.032 . . . . . . 26 LEU N . 25282 2 147 . 1 1 27 27 ARG H H 1 8.523 0.002 . . . . . . 27 ARG H . 25282 2 148 . 1 1 27 27 ARG HA H 1 4.360 0.000 . . . . . . 27 ARG HA . 25282 2 149 . 1 1 27 27 ARG C C 13 175.928 0.000 . . . . . . 27 ARG C . 25282 2 150 . 1 1 27 27 ARG CA C 13 56.400 0.027 . . . . . . 27 ARG CA . 25282 2 151 . 1 1 27 27 ARG CB C 13 31.195 0.008 . . . . . . 27 ARG CB . 25282 2 152 . 1 1 27 27 ARG N N 15 122.083 0.015 . . . . . . 27 ARG N . 25282 2 153 . 1 1 28 28 TYR H H 1 8.333 0.003 . . . . . . 28 TYR H . 25282 2 154 . 1 1 28 28 TYR HA H 1 4.675 0.000 . . . . . . 28 TYR HA . 25282 2 155 . 1 1 28 28 TYR C C 13 175.381 0.004 . . . . . . 28 TYR C . 25282 2 156 . 1 1 28 28 TYR CA C 13 57.631 0.000 . . . . . . 28 TYR CA . 25282 2 157 . 1 1 28 28 TYR CB C 13 39.141 0.005 . . . . . . 28 TYR CB . 25282 2 158 . 1 1 28 28 TYR N N 15 121.353 0.033 . . . . . . 28 TYR N . 25282 2 159 . 1 1 29 29 LEU H H 1 8.390 0.001 . . . . . . 29 LEU H . 25282 2 160 . 1 1 29 29 LEU HA H 1 4.433 0.000 . . . . . . 29 LEU HA . 25282 2 161 . 1 1 29 29 LEU C C 13 176.786 0.003 . . . . . . 29 LEU C . 25282 2 162 . 1 1 29 29 LEU CA C 13 54.908 0.034 . . . . . . 29 LEU CA . 25282 2 163 . 1 1 29 29 LEU CB C 13 42.666 0.037 . . . . . . 29 LEU CB . 25282 2 164 . 1 1 29 29 LEU N N 15 124.304 0.012 . . . . . . 29 LEU N . 25282 2 165 . 1 1 30 30 LEU H H 1 8.367 0.001 . . . . . . 30 LEU H . 25282 2 166 . 1 1 30 30 LEU HA H 1 4.396 0.000 . . . . . . 30 LEU HA . 25282 2 167 . 1 1 30 30 LEU C C 13 177.169 0.004 . . . . . . 30 LEU C . 25282 2 168 . 1 1 30 30 LEU CA C 13 55.308 0.082 . . . . . . 30 LEU CA . 25282 2 169 . 1 1 30 30 LEU CB C 13 42.658 0.040 . . . . . . 30 LEU CB . 25282 2 170 . 1 1 30 30 LEU N N 15 123.356 0.018 . . . . . . 30 LEU N . 25282 2 171 . 1 1 31 31 HIS H H 1 8.678 0.007 . . . . . . 31 HIS H . 25282 2 172 . 1 1 31 31 HIS HA H 1 4.784 0.000 . . . . . . 31 HIS HA . 25282 2 173 . 1 1 31 31 HIS C C 13 174.500 0.008 . . . . . . 31 HIS C . 25282 2 174 . 1 1 31 31 HIS CA C 13 55.421 0.044 . . . . . . 31 HIS CA . 25282 2 175 . 1 1 31 31 HIS CB C 13 29.628 0.000 . . . . . . 31 HIS CB . 25282 2 176 . 1 1 31 31 HIS N N 15 120.014 0.030 . . . . . . 31 HIS N . 25282 2 177 . 1 1 32 32 LYS H H 1 8.569 0.007 . . . . . . 32 LYS H . 25282 2 178 . 1 1 32 32 LYS HA H 1 4.388 0.000 . . . . . . 32 LYS HA . 25282 2 179 . 1 1 32 32 LYS C C 13 176.295 0.000 . . . . . . 32 LYS C . 25282 2 180 . 1 1 32 32 LYS CA C 13 56.667 0.000 . . . . . . 32 LYS CA . 25282 2 181 . 1 1 32 32 LYS CB C 13 33.399 0.000 . . . . . . 32 LYS CB . 25282 2 182 . 1 1 32 32 LYS N N 15 123.659 0.027 . . . . . . 32 LYS N . 25282 2 183 . 1 1 33 33 LEU H H 1 8.574 0.006 . . . . . . 33 LEU H . 25282 2 184 . 1 1 33 33 LEU HA H 1 4.417 0.000 . . . . . . 33 LEU HA . 25282 2 185 . 1 1 33 33 LEU C C 13 177.202 0.001 . . . . . . 33 LEU C . 25282 2 186 . 1 1 33 33 LEU CA C 13 55.267 0.020 . . . . . . 33 LEU CA . 25282 2 187 . 1 1 33 33 LEU CB C 13 42.413 0.004 . . . . . . 33 LEU CB . 25282 2 188 . 1 1 33 33 LEU N N 15 124.350 0.021 . . . . . . 33 LEU N . 25282 2 189 . 1 1 34 34 GLU H H 1 8.640 0.002 . . . . . . 34 GLU H . 25282 2 190 . 1 1 34 34 GLU HA H 1 4.400 0.000 . . . . . . 34 GLU HA . 25282 2 191 . 1 1 34 34 GLU C C 13 176.101 0.003 . . . . . . 34 GLU C . 25282 2 192 . 1 1 34 34 GLU CA C 13 56.472 0.007 . . . . . . 34 GLU CA . 25282 2 193 . 1 1 34 34 GLU CB C 13 30.731 0.013 . . . . . . 34 GLU CB . 25282 2 194 . 1 1 34 34 GLU N N 15 121.978 0.011 . . . . . . 34 GLU N . 25282 2 195 . 1 1 35 35 ASN H H 1 8.652 0.002 . . . . . . 35 ASN H . 25282 2 196 . 1 1 35 35 ASN HA H 1 4.814 0.000 . . . . . . 35 ASN HA . 25282 2 197 . 1 1 35 35 ASN C C 13 175.168 0.000 . . . . . . 35 ASN C . 25282 2 198 . 1 1 35 35 ASN CA C 13 53.435 0.027 . . . . . . 35 ASN CA . 25282 2 199 . 1 1 35 35 ASN CB C 13 38.972 0.030 . . . . . . 35 ASN CB . 25282 2 200 . 1 1 35 35 ASN N N 15 119.996 0.014 . . . . . . 35 ASN N . 25282 2 201 . 1 1 36 36 VAL H H 1 8.215 0.004 . . . . . . 36 VAL H . 25282 2 202 . 1 1 36 36 VAL HA H 1 4.231 0.000 . . . . . . 36 VAL HA . 25282 2 203 . 1 1 36 36 VAL C C 13 175.978 0.003 . . . . . . 36 VAL C . 25282 2 204 . 1 1 36 36 VAL CA C 13 62.412 0.019 . . . . . . 36 VAL CA . 25282 2 205 . 1 1 36 36 VAL CB C 13 32.947 0.001 . . . . . . 36 VAL CB . 25282 2 206 . 1 1 36 36 VAL N N 15 119.963 0.019 . . . . . . 36 VAL N . 25282 2 207 . 1 1 37 37 GLU H H 1 8.578 0.004 . . . . . . 37 GLU H . 25282 2 208 . 1 1 37 37 GLU HA H 1 4.391 0.000 . . . . . . 37 GLU HA . 25282 2 209 . 1 1 37 37 GLU C C 13 176.131 0.004 . . . . . . 37 GLU C . 25282 2 210 . 1 1 37 37 GLU CA C 13 56.602 0.041 . . . . . . 37 GLU CA . 25282 2 211 . 1 1 37 37 GLU CB C 13 30.528 0.015 . . . . . . 37 GLU CB . 25282 2 212 . 1 1 37 37 GLU N N 15 123.691 0.020 . . . . . . 37 GLU N . 25282 2 213 . 1 1 38 38 ASN H H 1 8.585 0.001 . . . . . . 38 ASN H . 25282 2 214 . 1 1 38 38 ASN HA H 1 4.831 0.000 . . . . . . 38 ASN HA . 25282 2 215 . 1 1 38 38 ASN C C 13 175.063 0.002 . . . . . . 38 ASN C . 25282 2 216 . 1 1 38 38 ASN CA C 13 53.394 0.032 . . . . . . 38 ASN CA . 25282 2 217 . 1 1 38 38 ASN CB C 13 39.060 0.010 . . . . . . 38 ASN CB . 25282 2 218 . 1 1 38 38 ASN N N 15 120.215 0.019 . . . . . . 38 ASN N . 25282 2 219 . 1 1 39 39 VAL H H 1 8.180 0.002 . . . . . . 39 VAL H . 25282 2 220 . 1 1 39 39 VAL HA H 1 4.238 0.000 . . . . . . 39 VAL HA . 25282 2 221 . 1 1 39 39 VAL C C 13 175.566 0.001 . . . . . . 39 VAL C . 25282 2 222 . 1 1 39 39 VAL CA C 13 62.174 0.046 . . . . . . 39 VAL CA . 25282 2 223 . 1 1 39 39 VAL CB C 13 33.136 0.017 . . . . . . 39 VAL CB . 25282 2 224 . 1 1 39 39 VAL N N 15 119.807 0.006 . . . . . . 39 VAL N . 25282 2 225 . 1 1 40 40 ASP H H 1 8.516 0.003 . . . . . . 40 ASP H . 25282 2 226 . 1 1 40 40 ASP HA H 1 4.772 0.000 . . . . . . 40 ASP HA . 25282 2 227 . 1 1 40 40 ASP C C 13 176.494 0.009 . . . . . . 40 ASP C . 25282 2 228 . 1 1 40 40 ASP CA C 13 54.299 0.015 . . . . . . 40 ASP CA . 25282 2 229 . 1 1 40 40 ASP CB C 13 41.415 0.003 . . . . . . 40 ASP CB . 25282 2 230 . 1 1 40 40 ASP N N 15 123.981 0.019 . . . . . . 40 ASP N . 25282 2 231 . 1 1 41 41 ILE H H 1 8.224 0.002 . . . . . . 41 ILE H . 25282 2 232 . 1 1 41 41 ILE HA H 1 4.194 0.000 . . . . . . 41 ILE HA . 25282 2 233 . 1 1 41 41 ILE C C 13 176.230 0.002 . . . . . . 41 ILE C . 25282 2 234 . 1 1 41 41 ILE CA C 13 62.002 0.018 . . . . . . 41 ILE CA . 25282 2 235 . 1 1 41 41 ILE CB C 13 38.977 0.008 . . . . . . 41 ILE CB . 25282 2 236 . 1 1 41 41 ILE N N 15 121.258 0.013 . . . . . . 41 ILE N . 25282 2 237 . 1 1 42 42 ASP H H 1 8.495 0.004 . . . . . . 42 ASP H . 25282 2 238 . 1 1 42 42 ASP HA H 1 4.740 0.000 . . . . . . 42 ASP HA . 25282 2 239 . 1 1 42 42 ASP C C 13 177.195 0.003 . . . . . . 42 ASP C . 25282 2 240 . 1 1 42 42 ASP CA C 13 55.345 0.018 . . . . . . 42 ASP CA . 25282 2 241 . 1 1 42 42 ASP CB C 13 41.320 0.022 . . . . . . 42 ASP CB . 25282 2 242 . 1 1 42 42 ASP N N 15 122.996 0.028 . . . . . . 42 ASP N . 25282 2 243 . 1 1 43 43 THR H H 1 8.145 0.001 . . . . . . 43 THR H . 25282 2 244 . 1 1 43 43 THR HA H 1 4.266 0.000 . . . . . . 43 THR HA . 25282 2 245 . 1 1 43 43 THR C C 13 175.291 0.001 . . . . . . 43 THR C . 25282 2 246 . 1 1 43 43 THR CA C 13 63.366 0.034 . . . . . . 43 THR CA . 25282 2 247 . 1 1 43 43 THR CB C 13 69.496 0.008 . . . . . . 43 THR CB . 25282 2 248 . 1 1 43 43 THR N N 15 114.675 0.011 . . . . . . 43 THR N . 25282 2 249 . 1 1 44 44 LEU H H 1 8.129 0.001 . . . . . . 44 LEU H . 25282 2 250 . 1 1 44 44 LEU HA H 1 4.374 0.000 . . . . . . 44 LEU HA . 25282 2 251 . 1 1 44 44 LEU C C 13 177.625 0.002 . . . . . . 44 LEU C . 25282 2 252 . 1 1 44 44 LEU CA C 13 56.251 0.126 . . . . . . 44 LEU CA . 25282 2 253 . 1 1 44 44 LEU CB C 13 42.198 0.009 . . . . . . 44 LEU CB . 25282 2 254 . 1 1 44 44 LEU N N 15 123.560 0.011 . . . . . . 44 LEU N . 25282 2 255 . 1 1 45 45 ARG H H 1 8.326 0.005 . . . . . . 45 ARG H . 25282 2 256 . 1 1 45 45 ARG HA H 1 4.280 0.000 . . . . . . 45 ARG HA . 25282 2 257 . 1 1 45 45 ARG C C 13 176.731 0.003 . . . . . . 45 ARG C . 25282 2 258 . 1 1 45 45 ARG CA C 13 56.753 0.014 . . . . . . 45 ARG CA . 25282 2 259 . 1 1 45 45 ARG CB C 13 30.641 0.022 . . . . . . 45 ARG CB . 25282 2 260 . 1 1 45 45 ARG N N 15 121.297 0.046 . . . . . . 45 ARG N . 25282 2 261 . 1 1 46 46 ARG H H 1 8.391 0.002 . . . . . . 46 ARG H . 25282 2 262 . 1 1 46 46 ARG HA H 1 4.370 0.000 . . . . . . 46 ARG HA . 25282 2 263 . 1 1 46 46 ARG C C 13 176.506 0.002 . . . . . . 46 ARG C . 25282 2 264 . 1 1 46 46 ARG CA C 13 56.686 0.016 . . . . . . 46 ARG CA . 25282 2 265 . 1 1 46 46 ARG CB C 13 31.055 0.046 . . . . . . 46 ARG CB . 25282 2 266 . 1 1 46 46 ARG N N 15 121.971 0.017 . . . . . . 46 ARG N . 25282 2 267 . 1 1 47 47 ALA H H 1 8.408 0.010 . . . . . . 47 ALA H . 25282 2 268 . 1 1 47 47 ALA HA H 1 4.173 0.000 . . . . . . 47 ALA HA . 25282 2 269 . 1 1 47 47 ALA C C 13 178.078 0.000 . . . . . . 47 ALA C . 25282 2 270 . 1 1 47 47 ALA CA C 13 52.966 0.020 . . . . . . 47 ALA CA . 25282 2 271 . 1 1 47 47 ALA CB C 13 19.082 0.007 . . . . . . 47 ALA CB . 25282 2 272 . 1 1 47 47 ALA N N 15 125.387 0.019 . . . . . . 47 ALA N . 25282 2 273 . 1 1 48 48 ILE H H 1 8.244 0.003 . . . . . . 48 ILE H . 25282 2 274 . 1 1 48 48 ILE HA H 1 4.177 0.000 . . . . . . 48 ILE HA . 25282 2 275 . 1 1 48 48 ILE C C 13 176.773 0.001 . . . . . . 48 ILE C . 25282 2 276 . 1 1 48 48 ILE CA C 13 61.939 0.026 . . . . . . 48 ILE CA . 25282 2 277 . 1 1 48 48 ILE CB C 13 38.812 0.147 . . . . . . 48 ILE CB . 25282 2 278 . 1 1 48 48 ILE N N 15 120.286 0.026 . . . . . . 48 ILE N . 25282 2 279 . 1 1 49 49 GLU H H 1 8.540 0.005 . . . . . . 49 GLU H . 25282 2 280 . 1 1 49 49 GLU HA H 1 4.345 0.000 . . . . . . 49 GLU HA . 25282 2 281 . 1 1 49 49 GLU C C 13 176.556 0.002 . . . . . . 49 GLU C . 25282 2 282 . 1 1 49 49 GLU CA C 13 56.943 0.031 . . . . . . 49 GLU CA . 25282 2 283 . 1 1 49 49 GLU CB C 13 30.207 0.022 . . . . . . 49 GLU CB . 25282 2 284 . 1 1 49 49 GLU N N 15 124.202 0.051 . . . . . . 49 GLU N . 25282 2 285 . 1 1 50 50 ALA H H 1 8.317 0.001 . . . . . . 50 ALA H . 25282 2 286 . 1 1 50 50 ALA HA H 1 4.347 0.000 . . . . . . 50 ALA HA . 25282 2 287 . 1 1 50 50 ALA C C 13 177.950 0.001 . . . . . . 50 ALA C . 25282 2 288 . 1 1 50 50 ALA CA C 13 53.020 0.021 . . . . . . 50 ALA CA . 25282 2 289 . 1 1 50 50 ALA CB C 13 19.283 0.003 . . . . . . 50 ALA CB . 25282 2 290 . 1 1 50 50 ALA N N 15 124.460 0.011 . . . . . . 50 ALA N . 25282 2 291 . 1 1 51 51 GLU H H 1 8.372 0.002 . . . . . . 51 GLU H . 25282 2 292 . 1 1 51 51 GLU HA H 1 4.301 0.000 . . . . . . 51 GLU HA . 25282 2 293 . 1 1 51 51 GLU C C 13 176.766 0.000 . . . . . . 51 GLU C . 25282 2 294 . 1 1 51 51 GLU CA C 13 56.977 0.039 . . . . . . 51 GLU CA . 25282 2 295 . 1 1 51 51 GLU CB C 13 30.312 0.047 . . . . . . 51 GLU CB . 25282 2 296 . 1 1 51 51 GLU N N 15 119.850 0.007 . . . . . . 51 GLU N . 25282 2 297 . 1 1 52 52 LYS H H 1 8.384 0.004 . . . . . . 52 LYS H . 25282 2 298 . 1 1 52 52 LYS HA H 1 4.382 0.000 . . . . . . 52 LYS HA . 25282 2 299 . 1 1 52 52 LYS C C 13 176.507 0.001 . . . . . . 52 LYS C . 25282 2 300 . 1 1 52 52 LYS CA C 13 56.690 0.000 . . . . . . 52 LYS CA . 25282 2 301 . 1 1 52 52 LYS CB C 13 33.073 0.001 . . . . . . 52 LYS CB . 25282 2 302 . 1 1 52 52 LYS N N 15 122.584 0.011 . . . . . . 52 LYS N . 25282 2 303 . 1 1 53 53 LYS H H 1 8.346 0.001 . . . . . . 53 LYS H . 25282 2 304 . 1 1 53 53 LYS HA H 1 4.360 0.000 . . . . . . 53 LYS HA . 25282 2 305 . 1 1 53 53 LYS C C 13 176.367 0.000 . . . . . . 53 LYS C . 25282 2 306 . 1 1 53 53 LYS CA C 13 56.562 0.036 . . . . . . 53 LYS CA . 25282 2 307 . 1 1 53 53 LYS CB C 13 33.297 0.000 . . . . . . 53 LYS CB . 25282 2 308 . 1 1 53 53 LYS N N 15 122.226 0.006 . . . . . . 53 LYS N . 25282 2 309 . 1 1 56 56 ARG C C 13 176.384 0.000 . . . . . . 56 ARG C . 25282 2 310 . 1 1 56 56 ARG CA C 13 56.288 0.017 . . . . . . 56 ARG CA . 25282 2 311 . 1 1 56 56 ARG CB C 13 31.311 0.003 . . . . . . 56 ARG CB . 25282 2 312 . 1 1 57 57 SER H H 1 8.626 0.002 . . . . . . 57 SER H . 25282 2 313 . 1 1 57 57 SER HA H 1 4.592 0.000 . . . . . . 57 SER HA . 25282 2 314 . 1 1 57 57 SER C C 13 174.483 0.001 . . . . . . 57 SER C . 25282 2 315 . 1 1 57 57 SER CA C 13 58.408 0.021 . . . . . . 57 SER CA . 25282 2 316 . 1 1 57 57 SER CB C 13 64.012 0.004 . . . . . . 57 SER CB . 25282 2 317 . 1 1 57 57 SER N N 15 118.173 0.010 . . . . . . 57 SER N . 25282 2 318 . 1 1 58 58 ILE H H 1 8.379 0.003 . . . . . . 58 ILE H . 25282 2 319 . 1 1 58 58 ILE HA H 1 4.363 0.000 . . . . . . 58 ILE HA . 25282 2 320 . 1 1 58 58 ILE C C 13 176.214 0.001 . . . . . . 58 ILE C . 25282 2 321 . 1 1 58 58 ILE CA C 13 61.384 0.016 . . . . . . 58 ILE CA . 25282 2 322 . 1 1 58 58 ILE CB C 13 39.271 0.012 . . . . . . 58 ILE CB . 25282 2 323 . 1 1 58 58 ILE N N 15 122.536 0.009 . . . . . . 58 ILE N . 25282 2 324 . 1 1 59 59 THR H H 1 8.369 0.001 . . . . . . 59 THR H . 25282 2 325 . 1 1 59 59 THR HA H 1 4.477 0.000 . . . . . . 59 THR HA . 25282 2 326 . 1 1 59 59 THR C C 13 174.440 0.000 . . . . . . 59 THR C . 25282 2 327 . 1 1 59 59 THR CA C 13 61.870 0.028 . . . . . . 59 THR CA . 25282 2 328 . 1 1 59 59 THR CB C 13 70.180 0.005 . . . . . . 59 THR CB . 25282 2 329 . 1 1 59 59 THR N N 15 118.290 0.014 . . . . . . 59 THR N . 25282 2 330 . 1 1 60 60 LEU H H 1 8.495 0.001 . . . . . . 60 LEU H . 25282 2 331 . 1 1 60 60 LEU HA H 1 4.549 0.000 . . . . . . 60 LEU HA . 25282 2 332 . 1 1 60 60 LEU C C 13 177.603 0.002 . . . . . . 60 LEU C . 25282 2 333 . 1 1 60 60 LEU CA C 13 55.391 0.027 . . . . . . 60 LEU CA . 25282 2 334 . 1 1 60 60 LEU CB C 13 42.684 0.003 . . . . . . 60 LEU CB . 25282 2 335 . 1 1 60 60 LEU N N 15 125.173 0.010 . . . . . . 60 LEU N . 25282 2 336 . 1 1 61 61 THR H H 1 8.355 0.003 . . . . . . 61 THR H . 25282 2 337 . 1 1 61 61 THR HA H 1 4.447 0.000 . . . . . . 61 THR HA . 25282 2 338 . 1 1 61 61 THR C C 13 174.902 0.001 . . . . . . 61 THR C . 25282 2 339 . 1 1 61 61 THR CA C 13 62.116 0.039 . . . . . . 61 THR CA . 25282 2 340 . 1 1 61 61 THR CB C 13 70.248 0.009 . . . . . . 61 THR CB . 25282 2 341 . 1 1 61 61 THR N N 15 114.599 0.006 . . . . . . 61 THR N . 25282 2 342 . 1 1 62 62 GLU H H 1 8.622 0.004 . . . . . . 62 GLU H . 25282 2 343 . 1 1 62 62 GLU HA H 1 4.358 0.000 . . . . . . 62 GLU HA . 25282 2 344 . 1 1 62 62 GLU C C 13 176.809 0.002 . . . . . . 62 GLU C . 25282 2 345 . 1 1 62 62 GLU CA C 13 57.351 0.010 . . . . . . 62 GLU CA . 25282 2 346 . 1 1 62 62 GLU CB C 13 30.207 0.021 . . . . . . 62 GLU CB . 25282 2 347 . 1 1 62 62 GLU N N 15 122.573 0.021 . . . . . . 62 GLU N . 25282 2 348 . 1 1 63 63 GLU H H 1 8.517 0.001 . . . . . . 63 GLU H . 25282 2 349 . 1 1 63 63 GLU HA H 1 4.328 0.000 . . . . . . 63 GLU HA . 25282 2 350 . 1 1 63 63 GLU C C 13 176.794 0.009 . . . . . . 63 GLU C . 25282 2 351 . 1 1 63 63 GLU CA C 13 57.239 0.031 . . . . . . 63 GLU CA . 25282 2 352 . 1 1 63 63 GLU CB C 13 30.266 0.025 . . . . . . 63 GLU CB . 25282 2 353 . 1 1 63 63 GLU N N 15 120.834 0.009 . . . . . . 63 GLU N . 25282 2 354 . 1 1 64 64 GLU H H 1 8.371 0.001 . . . . . . 64 GLU H . 25282 2 355 . 1 1 64 64 GLU HA H 1 4.309 0.000 . . . . . . 64 GLU HA . 25282 2 356 . 1 1 64 64 GLU C C 13 176.652 0.004 . . . . . . 64 GLU C . 25282 2 357 . 1 1 64 64 GLU CA C 13 57.174 0.035 . . . . . . 64 GLU CA . 25282 2 358 . 1 1 64 64 GLU CB C 13 30.528 0.055 . . . . . . 64 GLU CB . 25282 2 359 . 1 1 64 64 GLU N N 15 121.144 0.040 . . . . . . 64 GLU N . 25282 2 360 . 1 1 65 65 GLU H H 1 8.467 0.003 . . . . . . 65 GLU H . 25282 2 361 . 1 1 65 65 GLU HA H 1 4.327 0.000 . . . . . . 65 GLU HA . 25282 2 362 . 1 1 65 65 GLU C C 13 176.550 0.004 . . . . . . 65 GLU C . 25282 2 363 . 1 1 65 65 GLU CA C 13 57.109 0.015 . . . . . . 65 GLU CA . 25282 2 364 . 1 1 65 65 GLU CB C 13 30.345 0.019 . . . . . . 65 GLU CB . 25282 2 365 . 1 1 65 65 GLU N N 15 121.751 0.034 . . . . . . 65 GLU N . 25282 2 366 . 1 1 66 66 VAL H H 1 8.239 0.004 . . . . . . 66 VAL H . 25282 2 367 . 1 1 66 66 VAL HA H 1 4.139 0.000 . . . . . . 66 VAL HA . 25282 2 368 . 1 1 66 66 VAL C C 13 176.217 0.001 . . . . . . 66 VAL C . 25282 2 369 . 1 1 66 66 VAL CA C 13 63.108 0.006 . . . . . . 66 VAL CA . 25282 2 370 . 1 1 66 66 VAL CB C 13 32.699 0.006 . . . . . . 66 VAL CB . 25282 2 371 . 1 1 66 66 VAL N N 15 121.875 0.016 . . . . . . 66 VAL N . 25282 2 372 . 1 1 67 67 ILE H H 1 8.291 0.002 . . . . . . 67 ILE H . 25282 2 373 . 1 1 67 67 ILE HA H 1 4.197 0.000 . . . . . . 67 ILE HA . 25282 2 374 . 1 1 67 67 ILE C C 13 176.483 0.016 . . . . . . 67 ILE C . 25282 2 375 . 1 1 67 67 ILE CA C 13 61.500 0.024 . . . . . . 67 ILE CA . 25282 2 376 . 1 1 67 67 ILE CB C 13 38.442 0.005 . . . . . . 67 ILE CB . 25282 2 377 . 1 1 67 67 ILE N N 15 125.166 0.012 . . . . . . 67 ILE N . 25282 2 378 . 1 1 68 68 ILE H H 1 8.402 0.009 . . . . . . 68 ILE H . 25282 2 379 . 1 1 68 68 ILE HA H 1 4.406 0.000 . . . . . . 68 ILE HA . 25282 2 380 . 1 1 68 68 ILE C C 13 176.612 0.001 . . . . . . 68 ILE C . 25282 2 381 . 1 1 68 68 ILE CA C 13 61.666 0.090 . . . . . . 68 ILE CA . 25282 2 382 . 1 1 68 68 ILE CB C 13 38.397 0.000 . . . . . . 68 ILE CB . 25282 2 383 . 1 1 68 68 ILE N N 15 125.415 0.024 . . . . . . 68 ILE N . 25282 2 384 . 1 1 69 69 GLN H H 1 8.552 0.004 . . . . . . 69 GLN H . 25282 2 385 . 1 1 69 69 GLN HA H 1 4.370 0.000 . . . . . . 69 GLN HA . 25282 2 386 . 1 1 69 69 GLN C C 13 176.141 0.000 . . . . . . 69 GLN C . 25282 2 387 . 1 1 69 69 GLN CA C 13 56.451 0.074 . . . . . . 69 GLN CA . 25282 2 388 . 1 1 69 69 GLN CB C 13 29.617 0.090 . . . . . . 69 GLN CB . 25282 2 389 . 1 1 69 69 GLN N N 15 124.363 0.029 . . . . . . 69 GLN N . 25282 2 390 . 1 1 70 70 ARG H H 1 8.562 0.001 . . . . . . 70 ARG H . 25282 2 391 . 1 1 70 70 ARG HA H 1 4.412 0.000 . . . . . . 70 ARG HA . 25282 2 392 . 1 1 70 70 ARG C C 13 176.381 0.004 . . . . . . 70 ARG C . 25282 2 393 . 1 1 70 70 ARG CA C 13 56.413 0.076 . . . . . . 70 ARG CA . 25282 2 394 . 1 1 70 70 ARG CB C 13 30.886 0.013 . . . . . . 70 ARG CB . 25282 2 395 . 1 1 70 70 ARG N N 15 123.396 0.069 . . . . . . 70 ARG N . 25282 2 396 . 1 1 71 71 LEU H H 1 8.445 0.004 . . . . . . 71 LEU H . 25282 2 397 . 1 1 71 71 LEU HA H 1 4.437 0.000 . . . . . . 71 LEU HA . 25282 2 398 . 1 1 71 71 LEU C C 13 177.916 0.001 . . . . . . 71 LEU C . 25282 2 399 . 1 1 71 71 LEU CA C 13 55.323 0.012 . . . . . . 71 LEU CA . 25282 2 400 . 1 1 71 71 LEU CB C 13 42.728 0.027 . . . . . . 71 LEU CB . 25282 2 401 . 1 1 71 71 LEU N N 15 123.137 0.026 . . . . . . 71 LEU N . 25282 2 402 . 1 1 72 72 GLY H H 1 8.490 0.002 . . . . . . 72 GLY H . 25282 2 403 . 1 1 72 72 GLY HA2 H 1 4.067 0.000 . . . . . . 72 GLY HA . 25282 2 404 . 1 1 72 72 GLY HA3 H 1 4.067 0.000 . . . . . . 72 GLY HA . 25282 2 405 . 1 1 72 72 GLY C C 13 174.087 0.001 . . . . . . 72 GLY C . 25282 2 406 . 1 1 72 72 GLY CA C 13 45.289 0.008 . . . . . . 72 GLY CA . 25282 2 407 . 1 1 72 72 GLY N N 15 109.580 0.008 . . . . . . 72 GLY N . 25282 2 408 . 1 1 73 73 LYS H H 1 8.370 0.002 . . . . . . 73 LYS H . 25282 2 409 . 1 1 73 73 LYS HA H 1 4.437 0.000 . . . . . . 73 LYS HA . 25282 2 410 . 1 1 73 73 LYS C C 13 176.889 0.001 . . . . . . 73 LYS C . 25282 2 411 . 1 1 73 73 LYS CA C 13 56.767 0.126 . . . . . . 73 LYS CA . 25282 2 412 . 1 1 73 73 LYS CB C 13 33.495 0.010 . . . . . . 73 LYS CB . 25282 2 413 . 1 1 73 73 LYS N N 15 121.037 0.040 . . . . . . 73 LYS N . 25282 2 414 . 1 1 74 74 SER H H 1 8.525 0.001 . . . . . . 74 SER H . 25282 2 415 . 1 1 74 74 SER HA H 1 4.535 0.000 . . . . . . 74 SER HA . 25282 2 416 . 1 1 74 74 SER C C 13 174.445 0.004 . . . . . . 74 SER C . 25282 2 417 . 1 1 74 74 SER CA C 13 58.529 0.026 . . . . . . 74 SER CA . 25282 2 418 . 1 1 74 74 SER CB C 13 64.094 0.008 . . . . . . 74 SER CB . 25282 2 419 . 1 1 74 74 SER N N 15 117.081 0.007 . . . . . . 74 SER N . 25282 2 420 . 1 1 75 75 ALA H H 1 8.472 0.002 . . . . . . 75 ALA H . 25282 2 421 . 1 1 75 75 ALA HA H 1 4.396 0.000 . . . . . . 75 ALA HA . 25282 2 422 . 1 1 75 75 ALA C C 13 177.329 0.001 . . . . . . 75 ALA C . 25282 2 423 . 1 1 75 75 ALA CA C 13 52.842 0.016 . . . . . . 75 ALA CA . 25282 2 424 . 1 1 75 75 ALA CB C 13 19.427 0.002 . . . . . . 75 ALA CB . 25282 2 425 . 1 1 75 75 ALA N N 15 125.893 0.012 . . . . . . 75 ALA N . 25282 2 426 . 1 1 76 76 ASN H H 1 8.482 0.001 . . . . . . 76 ASN H . 25282 2 427 . 1 1 76 76 ASN HA H 1 4.761 0.000 . . . . . . 76 ASN HA . 25282 2 428 . 1 1 76 76 ASN C C 13 175.157 0.002 . . . . . . 76 ASN C . 25282 2 429 . 1 1 76 76 ASN CA C 13 53.359 0.032 . . . . . . 76 ASN CA . 25282 2 430 . 1 1 76 76 ASN CB C 13 38.857 0.035 . . . . . . 76 ASN CB . 25282 2 431 . 1 1 76 76 ASN N N 15 117.793 0.006 . . . . . . 76 ASN N . 25282 2 432 . 1 1 77 77 LEU H H 1 8.279 0.003 . . . . . . 77 LEU H . 25282 2 433 . 1 1 77 77 LEU HA H 1 4.407 0.000 . . . . . . 77 LEU HA . 25282 2 434 . 1 1 77 77 LEU C C 13 177.035 0.002 . . . . . . 77 LEU C . 25282 2 435 . 1 1 77 77 LEU CA C 13 55.423 0.023 . . . . . . 77 LEU CA . 25282 2 436 . 1 1 77 77 LEU CB C 13 42.557 0.023 . . . . . . 77 LEU CB . 25282 2 437 . 1 1 77 77 LEU N N 15 122.748 0.012 . . . . . . 77 LEU N . 25282 2 438 . 1 1 78 78 LEU H H 1 8.378 0.001 . . . . . . 78 LEU H . 25282 2 439 . 1 1 78 78 LEU HA H 1 4.466 0.000 . . . . . . 78 LEU HA . 25282 2 440 . 1 1 78 78 LEU C C 13 177.129 0.003 . . . . . . 78 LEU C . 25282 2 441 . 1 1 78 78 LEU CA C 13 55.152 0.026 . . . . . . 78 LEU CA . 25282 2 442 . 1 1 78 78 LEU CB C 13 42.301 0.062 . . . . . . 78 LEU CB . 25282 2 443 . 1 1 78 78 LEU N N 15 123.017 0.031 . . . . . . 78 LEU N . 25282 2 444 . 1 1 79 79 LEU H H 1 8.332 0.003 . . . . . . 79 LEU H . 25282 2 445 . 1 1 79 79 LEU HA H 1 4.441 0.000 . . . . . . 79 LEU HA . 25282 2 446 . 1 1 79 79 LEU C C 13 177.198 0.006 . . . . . . 79 LEU C . 25282 2 447 . 1 1 79 79 LEU CA C 13 55.117 0.023 . . . . . . 79 LEU CA . 25282 2 448 . 1 1 79 79 LEU CB C 13 42.747 0.040 . . . . . . 79 LEU CB . 25282 2 449 . 1 1 79 79 LEU N N 15 122.983 0.013 . . . . . . 79 LEU N . 25282 2 450 . 1 1 80 80 ASN H H 1 8.655 0.001 . . . . . . 80 ASN H . 25282 2 451 . 1 1 80 80 ASN HA H 1 4.808 0.000 . . . . . . 80 ASN HA . 25282 2 452 . 1 1 80 80 ASN C C 13 175.424 0.002 . . . . . . 80 ASN C . 25282 2 453 . 1 1 80 80 ASN CA C 13 53.634 0.027 . . . . . . 80 ASN CA . 25282 2 454 . 1 1 80 80 ASN CB C 13 38.850 0.026 . . . . . . 80 ASN CB . 25282 2 455 . 1 1 80 80 ASN N N 15 119.689 0.034 . . . . . . 80 ASN N . 25282 2 456 . 1 1 81 81 CYS H H 1 8.436 0.001 . . . . . . 81 CYS H . 25282 2 457 . 1 1 81 81 CYS HA H 1 4.601 0.000 . . . . . . 81 CYS HA . 25282 2 458 . 1 1 81 81 CYS C C 13 174.379 0.001 . . . . . . 81 CYS C . 25282 2 459 . 1 1 81 81 CYS CA C 13 58.706 0.018 . . . . . . 81 CYS CA . 25282 2 460 . 1 1 81 81 CYS CB C 13 28.347 0.004 . . . . . . 81 CYS CB . 25282 2 461 . 1 1 81 81 CYS N N 15 119.185 0.007 . . . . . . 81 CYS N . 25282 2 462 . 1 1 82 82 GLU H H 1 8.589 0.007 . . . . . . 82 GLU H . 25282 2 463 . 1 1 82 82 GLU HA H 1 4.396 0.000 . . . . . . 82 GLU HA . 25282 2 464 . 1 1 82 82 GLU C C 13 176.216 0.003 . . . . . . 82 GLU C . 25282 2 465 . 1 1 82 82 GLU CA C 13 56.730 0.058 . . . . . . 82 GLU CA . 25282 2 466 . 1 1 82 82 GLU CB C 13 30.383 0.094 . . . . . . 82 GLU CB . 25282 2 467 . 1 1 82 82 GLU N N 15 122.847 0.055 . . . . . . 82 GLU N . 25282 2 468 . 1 1 83 83 LEU H H 1 8.275 0.002 . . . . . . 83 LEU H . 25282 2 469 . 1 1 83 83 LEU HA H 1 4.461 0.000 . . . . . . 83 LEU HA . 25282 2 470 . 1 1 83 83 LEU C C 13 177.102 0.003 . . . . . . 83 LEU C . 25282 2 471 . 1 1 83 83 LEU CA C 13 55.276 0.018 . . . . . . 83 LEU CA . 25282 2 472 . 1 1 83 83 LEU CB C 13 42.500 0.025 . . . . . . 83 LEU CB . 25282 2 473 . 1 1 83 83 LEU N N 15 123.191 0.031 . . . . . . 83 LEU N . 25282 2 474 . 1 1 84 84 VAL H H 1 8.261 0.003 . . . . . . 84 VAL H . 25282 2 475 . 1 1 84 84 VAL HA H 1 4.157 0.000 . . . . . . 84 VAL HA . 25282 2 476 . 1 1 84 84 VAL C C 13 175.785 0.001 . . . . . . 84 VAL C . 25282 2 477 . 1 1 84 84 VAL CA C 13 62.391 0.017 . . . . . . 84 VAL CA . 25282 2 478 . 1 1 84 84 VAL CB C 13 32.931 0.070 . . . . . . 84 VAL CB . 25282 2 479 . 1 1 84 84 VAL N N 15 121.941 0.023 . . . . . . 84 VAL N . 25282 2 480 . 1 1 85 85 LYS H H 1 8.538 0.002 . . . . . . 85 LYS H . 25282 2 481 . 1 1 85 85 LYS HA H 1 4.453 0.000 . . . . . . 85 LYS HA . 25282 2 482 . 1 1 85 85 LYS C C 13 176.268 0.001 . . . . . . 85 LYS C . 25282 2 483 . 1 1 85 85 LYS CA C 13 56.154 0.017 . . . . . . 85 LYS CA . 25282 2 484 . 1 1 85 85 LYS CB C 13 33.207 0.027 . . . . . . 85 LYS CB . 25282 2 485 . 1 1 85 85 LYS N N 15 126.193 0.008 . . . . . . 85 LYS N . 25282 2 486 . 1 1 86 86 LEU H H 1 8.537 0.002 . . . . . . 86 LEU H . 25282 2 487 . 1 1 86 86 LEU HA H 1 4.453 0.000 . . . . . . 86 LEU HA . 25282 2 488 . 1 1 86 86 LEU C C 13 177.086 0.000 . . . . . . 86 LEU C . 25282 2 489 . 1 1 86 86 LEU CA C 13 55.149 0.016 . . . . . . 86 LEU CA . 25282 2 490 . 1 1 86 86 LEU CB C 13 42.750 0.006 . . . . . . 86 LEU CB . 25282 2 491 . 1 1 86 86 LEU N N 15 125.123 0.017 . . . . . . 86 LEU N . 25282 2 492 . 1 1 87 87 ASP H H 1 8.603 0.001 . . . . . . 87 ASP H . 25282 2 493 . 1 1 87 87 ASP HA H 1 4.716 0.000 . . . . . . 87 ASP HA . 25282 2 494 . 1 1 87 87 ASP C C 13 176.344 0.002 . . . . . . 87 ASP C . 25282 2 495 . 1 1 87 87 ASP CA C 13 54.337 0.018 . . . . . . 87 ASP CA . 25282 2 496 . 1 1 87 87 ASP CB C 13 41.422 0.015 . . . . . . 87 ASP CB . 25282 2 497 . 1 1 87 87 ASP N N 15 121.556 0.018 . . . . . . 87 ASP N . 25282 2 498 . 1 1 88 88 GLU H H 1 8.547 0.002 . . . . . . 88 GLU H . 25282 2 499 . 1 1 88 88 GLU HA H 1 4.371 0.000 . . . . . . 88 GLU HA . 25282 2 500 . 1 1 88 88 GLU C C 13 176.978 0.003 . . . . . . 88 GLU C . 25282 2 501 . 1 1 88 88 GLU CA C 13 56.936 0.013 . . . . . . 88 GLU CA . 25282 2 502 . 1 1 88 88 GLU CB C 13 30.367 0.026 . . . . . . 88 GLU CB . 25282 2 503 . 1 1 88 88 GLU N N 15 121.714 0.011 . . . . . . 88 GLU N . 25282 2 504 . 1 1 89 89 GLY H H 1 8.546 0.001 . . . . . . 89 GLY H . 25282 2 505 . 1 1 89 89 GLY HA2 H 1 4.051 0.000 . . . . . . 89 GLY HA . 25282 2 506 . 1 1 89 89 GLY HA3 H 1 4.051 0.000 . . . . . . 89 GLY HA . 25282 2 507 . 1 1 89 89 GLY C C 13 174.064 0.001 . . . . . . 89 GLY C . 25282 2 508 . 1 1 89 89 GLY CA C 13 45.353 0.011 . . . . . . 89 GLY CA . 25282 2 509 . 1 1 89 89 GLY N N 15 109.384 0.005 . . . . . . 89 GLY N . 25282 2 510 . 1 1 90 90 GLU H H 1 8.345 0.002 . . . . . . 90 GLU H . 25282 2 511 . 1 1 90 90 GLU HA H 1 4.388 0.000 . . . . . . 90 GLU HA . 25282 2 512 . 1 1 90 90 GLU C C 13 176.426 0.009 . . . . . . 90 GLU C . 25282 2 513 . 1 1 90 90 GLU CA C 13 56.550 0.192 . . . . . . 90 GLU CA . 25282 2 514 . 1 1 90 90 GLU CB C 13 30.476 0.028 . . . . . . 90 GLU CB . 25282 2 515 . 1 1 90 90 GLU N N 15 120.597 0.021 . . . . . . 90 GLU N . 25282 2 516 . 1 1 91 91 ARG H H 1 8.413 0.006 . . . . . . 91 ARG H . 25282 2 517 . 1 1 91 91 ARG HA H 1 4.443 0.000 . . . . . . 91 ARG HA . 25282 2 518 . 1 1 91 91 ARG C C 13 175.191 0.002 . . . . . . 91 ARG C . 25282 2 519 . 1 1 91 91 ARG CA C 13 54.090 0.015 . . . . . . 91 ARG CA . 25282 2 520 . 1 1 91 91 ARG CB C 13 31.058 0.050 . . . . . . 91 ARG CB . 25282 2 521 . 1 1 91 91 ARG N N 15 122.462 0.025 . . . . . . 91 ARG N . 25282 2 522 . 1 1 92 92 ALA H H 1 8.171 0.003 . . . . . . 92 ALA H . 25282 2 523 . 1 1 92 92 ALA HA H 1 4.224 0.000 . . . . . . 92 ALA HA . 25282 2 524 . 1 1 92 92 ALA C C 13 177.500 0.000 . . . . . . 92 ALA C . 25282 2 525 . 1 1 92 92 ALA CA C 13 56.223 0.000 . . . . . . 92 ALA CA . 25282 2 526 . 1 1 92 92 ALA CB C 13 20.085 0.000 . . . . . . 92 ALA CB . 25282 2 527 . 1 1 92 92 ALA N N 15 131.209 0.049 . . . . . . 92 ALA N . 25282 2 stop_ save_