data_18831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18831 _Entry.Title ; Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-08 _Entry.Accession_date 2012-11-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Aaron Phillips . H. . 18831 2 Wayne Fairbrother . J. . 18831 3 Jacob Corn . E. . 18831 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18831 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 18831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 18831 '15N chemical shifts' 70 18831 '1H chemical shifts' 518 18831 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-08-07 2012-11-08 update BMRB 'update entry citation' 18831 1 . . 2013-06-24 2012-11-08 original author 'original release' 18831 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M0X 'BMRB Entry Tracking System' 18831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18831 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23801757 _Citation.Full_citation . _Citation.Title 'Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 28 _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 11379 _Citation.Page_last 11384 _Citation.Year 2013 _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 Aaron Phillips . H. . 18831 1 2 Yingnan Zhang . . . 18831 1 3 Christian Cunningham . N. . 18831 1 4 Lijuan Zhou . . . 18831 1 5 William Forrest . F. . 18831 1 6 Peter Liu . S. . 18831 1 7 Micah Steffek . . . 18831 1 8 James Lee . . . 18831 1 9 Christine Tam . . . 18831 1 10 Elizabeth Helgason . . . 18831 1 11 Jeremy Murray . M. . 18831 1 12 Donald Kirkpatrick . S. . 18831 1 13 Wayne Fairbrother . J. . 18831 1 14 Jacob Corn . E. . 18831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18831 _Assembly.ID 1 _Assembly.Name U14Ub1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 U14Ub1 1 $U14Ub1 A . yes native no no . . . 18831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U14Ub1 _Entity.Sf_category entity _Entity.Sf_framecode U14Ub1 _Entity.Entry_ID 18831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMQIFVKGLTGKTTTLEVE PSDTIENVKAKIQDKTGLPP DQQRLIFAGKQLEDGRTLSD YNIQKESTLHIVWRLRGG ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8565.851 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2M0X . "Solution Structure Of U14ub1, An Engineered Ubiquitin Variant With Increased Affinity For Usp14" . . . . . 97.44 76 100.00 100.00 5.94e-47 . . . . 18831 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 GLY . 18831 1 2 0 SER . 18831 1 3 1 MET . 18831 1 4 2 GLN . 18831 1 5 3 ILE . 18831 1 6 4 PHE . 18831 1 7 5 VAL . 18831 1 8 6 LYS . 18831 1 9 7 GLY . 18831 1 10 8 LEU . 18831 1 11 9 THR . 18831 1 12 10 GLY . 18831 1 13 11 LYS . 18831 1 14 12 THR . 18831 1 15 13 THR . 18831 1 16 14 THR . 18831 1 17 15 LEU . 18831 1 18 16 GLU . 18831 1 19 17 VAL . 18831 1 20 18 GLU . 18831 1 21 19 PRO . 18831 1 22 20 SER . 18831 1 23 21 ASP . 18831 1 24 22 THR . 18831 1 25 23 ILE . 18831 1 26 24 GLU . 18831 1 27 25 ASN . 18831 1 28 26 VAL . 18831 1 29 27 LYS . 18831 1 30 28 ALA . 18831 1 31 29 LYS . 18831 1 32 30 ILE . 18831 1 33 31 GLN . 18831 1 34 32 ASP . 18831 1 35 33 LYS . 18831 1 36 34 THR . 18831 1 37 35 GLY . 18831 1 38 36 LEU . 18831 1 39 37 PRO . 18831 1 40 38 PRO . 18831 1 41 39 ASP . 18831 1 42 40 GLN . 18831 1 43 41 GLN . 18831 1 44 42 ARG . 18831 1 45 43 LEU . 18831 1 46 44 ILE . 18831 1 47 45 PHE . 18831 1 48 46 ALA . 18831 1 49 47 GLY . 18831 1 50 48 LYS . 18831 1 51 49 GLN . 18831 1 52 50 LEU . 18831 1 53 51 GLU . 18831 1 54 52 ASP . 18831 1 55 53 GLY . 18831 1 56 54 ARG . 18831 1 57 55 THR . 18831 1 58 56 LEU . 18831 1 59 57 SER . 18831 1 60 58 ASP . 18831 1 61 59 TYR . 18831 1 62 60 ASN . 18831 1 63 61 ILE . 18831 1 64 62 GLN . 18831 1 65 63 LYS . 18831 1 66 64 GLU . 18831 1 67 65 SER . 18831 1 68 66 THR . 18831 1 69 67 LEU . 18831 1 70 68 HIS . 18831 1 71 69 ILE . 18831 1 72 70 VAL . 18831 1 73 71 TRP . 18831 1 74 72 ARG . 18831 1 75 73 LEU . 18831 1 76 74 ARG . 18831 1 77 75 GLY . 18831 1 78 76 GLY . 18831 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 . GLY 1 1 18831 1 . SER 2 2 18831 1 . MET 3 3 18831 1 . GLN 4 4 18831 1 . ILE 5 5 18831 1 . PHE 6 6 18831 1 . VAL 7 7 18831 1 . LYS 8 8 18831 1 . GLY 9 9 18831 1 . LEU 10 10 18831 1 . THR 11 11 18831 1 . GLY 12 12 18831 1 . LYS 13 13 18831 1 . THR 14 14 18831 1 . THR 15 15 18831 1 . THR 16 16 18831 1 . LEU 17 17 18831 1 . GLU 18 18 18831 1 . VAL 19 19 18831 1 . GLU 20 20 18831 1 . PRO 21 21 18831 1 . SER 22 22 18831 1 . ASP 23 23 18831 1 . THR 24 24 18831 1 . ILE 25 25 18831 1 . GLU 26 26 18831 1 . ASN 27 27 18831 1 . VAL 28 28 18831 1 . LYS 29 29 18831 1 . ALA 30 30 18831 1 . LYS 31 31 18831 1 . ILE 32 32 18831 1 . GLN 33 33 18831 1 . ASP 34 34 18831 1 . LYS 35 35 18831 1 . THR 36 36 18831 1 . GLY 37 37 18831 1 . LEU 38 38 18831 1 . PRO 39 39 18831 1 . PRO 40 40 18831 1 . ASP 41 41 18831 1 . GLN 42 42 18831 1 . GLN 43 43 18831 1 . ARG 44 44 18831 1 . LEU 45 45 18831 1 . ILE 46 46 18831 1 . PHE 47 47 18831 1 . ALA 48 48 18831 1 . GLY 49 49 18831 1 . LYS 50 50 18831 1 . GLN 51 51 18831 1 . LEU 52 52 18831 1 . GLU 53 53 18831 1 . ASP 54 54 18831 1 . GLY 55 55 18831 1 . ARG 56 56 18831 1 . THR 57 57 18831 1 . LEU 58 58 18831 1 . SER 59 59 18831 1 . ASP 60 60 18831 1 . TYR 61 61 18831 1 . ASN 62 62 18831 1 . ILE 63 63 18831 1 . GLN 64 64 18831 1 . LYS 65 65 18831 1 . GLU 66 66 18831 1 . SER 67 67 18831 1 . THR 68 68 18831 1 . LEU 69 69 18831 1 . HIS 70 70 18831 1 . ILE 71 71 18831 1 . VAL 72 72 18831 1 . TRP 73 73 18831 1 . ARG 74 74 18831 1 . LEU 75 75 18831 1 . ARG 76 76 18831 1 . GLY 77 77 18831 1 . GLY 78 78 18831 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 18831 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $U14Ub1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18831 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 18831 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $U14Ub1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-based . . . . . . 18831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18831 _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 U14Ub1 '[U-99% 13C; U-99% 15N]' . . 1 $U14Ub1 . . 1 . . mM . . . . 18831 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18831 1 3 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 18831 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18831 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18831 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18831 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 U14Ub1 '[U-99% 13C; U-99% 15N]' . . 1 $U14Ub1 . . 1 . . mM . . . . 18831 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18831 2 3 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 18831 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18831 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 18831 _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' 0.16 . M 18831 1 pH 7.5 . pH 18831 1 pressure 1 . atm 18831 1 temperature 297 . K 18831 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18831 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18831 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18831 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18831 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18831 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 18831 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18831 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 18831 _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 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 18831 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18831 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18831 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 18831 _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 '3D HNCA' . . . 18831 1 2 '3D HNCACB' . . . 18831 1 3 '3D HN(CO)CA' . . . 18831 1 4 '3D 1H-15N NOESY' . . . 18831 1 5 '3D C(CO)NH' . . . 18831 1 6 '3D H(CCO)NH' . . . 18831 1 7 '3D 1H-15N TOCSY' . . . 18831 1 8 '3D HCCH-COSY' . . . 18831 1 9 '3D 1H-13C NOESY' . . . 18831 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.750 0.020 . 2 . . . . -1 GLY HA2 . 18831 1 2 . 1 1 1 1 GLY HA3 H 1 3.901 0.020 . 2 . . . . -1 GLY HA3 . 18831 1 3 . 1 1 1 1 GLY CA C 13 42.960 0.3 . 1 . . . . -1 GLY CA . 18831 1 4 . 1 1 2 2 SER HA H 1 3.927 0.020 . 1 . . . . 0 SER HA . 18831 1 5 . 1 1 2 2 SER HB2 H 1 4.648 0.020 . 1 . . . . 0 SER HB2 . 18831 1 6 . 1 1 2 2 SER HB3 H 1 4.648 0.020 . 1 . . . . 0 SER HB3 . 18831 1 7 . 1 1 2 2 SER C C 13 173.529 0.3 . 1 . . . . 0 SER C . 18831 1 8 . 1 1 2 2 SER CA C 13 58.436 0.3 . 1 . . . . 0 SER CA . 18831 1 9 . 1 1 2 2 SER CB C 13 63.764 0.3 . 1 . . . . 0 SER CB . 18831 1 10 . 1 1 3 3 MET H H 1 9.107 0.020 . 1 . . . A 1 MET H . 18831 1 11 . 1 1 3 3 MET HA H 1 4.783 0.020 . 1 . . . A 1 MET HA . 18831 1 12 . 1 1 3 3 MET HB2 H 1 1.911 0.020 . 2 . . . A 1 MET HB2 . 18831 1 13 . 1 1 3 3 MET HB3 H 1 1.990 0.020 . 2 . . . A 1 MET HB3 . 18831 1 14 . 1 1 3 3 MET HG2 H 1 2.443 0.020 . 1 . . . A 1 MET HG2 . 18831 1 15 . 1 1 3 3 MET HG3 H 1 2.443 0.020 . 1 . . . A 1 MET HG3 . 18831 1 16 . 1 1 3 3 MET HE1 H 1 1.705 0.020 . 1 . . . A 1 MET HE1 . 18831 1 17 . 1 1 3 3 MET HE2 H 1 1.705 0.020 . 1 . . . A 1 MET HE2 . 18831 1 18 . 1 1 3 3 MET HE3 H 1 1.705 0.020 . 1 . . . A 1 MET HE3 . 18831 1 19 . 1 1 3 3 MET C C 13 172.696 0.3 . 1 . . . A 1 MET C . 18831 1 20 . 1 1 3 3 MET CA C 13 53.960 0.3 . 1 . . . A 1 MET CA . 18831 1 21 . 1 1 3 3 MET CB C 13 35.065 0.3 . 1 . . . A 1 MET CB . 18831 1 22 . 1 1 3 3 MET CG C 13 31.121 0.3 . 1 . . . A 1 MET CG . 18831 1 23 . 1 1 3 3 MET CE C 13 17.047 0.3 . 1 . . . A 1 MET CE . 18831 1 24 . 1 1 3 3 MET N N 15 120.330 0.3 . 1 . . . A 1 MET N . 18831 1 25 . 1 1 4 4 GLN H H 1 8.384 0.020 . 1 . . . A 2 GLN H . 18831 1 26 . 1 1 4 4 GLN HA H 1 5.364 0.020 . 1 . . . A 2 GLN HA . 18831 1 27 . 1 1 4 4 GLN HB2 H 1 1.700 0.020 . 2 . . . A 2 GLN HB2 . 18831 1 28 . 1 1 4 4 GLN HB3 H 1 1.880 0.020 . 2 . . . A 2 GLN HB3 . 18831 1 29 . 1 1 4 4 GLN HG2 H 1 2.285 0.020 . 1 . . . A 2 GLN HG2 . 18831 1 30 . 1 1 4 4 GLN HG3 H 1 2.285 0.020 . 1 . . . A 2 GLN HG3 . 18831 1 31 . 1 1 4 4 GLN C C 13 175.892 0.3 . 1 . . . A 2 GLN C . 18831 1 32 . 1 1 4 4 GLN CA C 13 53.828 0.3 . 1 . . . A 2 GLN CA . 18831 1 33 . 1 1 4 4 GLN CB C 13 29.948 0.3 . 1 . . . A 2 GLN CB . 18831 1 34 . 1 1 4 4 GLN CG C 13 33.751 0.3 . 1 . . . A 2 GLN CG . 18831 1 35 . 1 1 4 4 GLN N N 15 121.114 0.3 . 1 . . . A 2 GLN N . 18831 1 36 . 1 1 5 5 ILE H H 1 8.392 0.020 . 1 . . . A 3 ILE H . 18831 1 37 . 1 1 5 5 ILE HA H 1 4.310 0.020 . 1 . . . A 3 ILE HA . 18831 1 38 . 1 1 5 5 ILE HB H 1 1.881 0.020 . 1 . . . A 3 ILE HB . 18831 1 39 . 1 1 5 5 ILE HG12 H 1 0.917 0.020 . 2 . . . A 3 ILE HG12 . 18831 1 40 . 1 1 5 5 ILE HG13 H 1 1.140 0.020 . 2 . . . A 3 ILE HG13 . 18831 1 41 . 1 1 5 5 ILE HG21 H 1 0.706 0.020 . 1 . . . A 3 ILE HG21 . 18831 1 42 . 1 1 5 5 ILE HG22 H 1 0.706 0.020 . 1 . . . A 3 ILE HG22 . 18831 1 43 . 1 1 5 5 ILE HG23 H 1 0.706 0.020 . 1 . . . A 3 ILE HG23 . 18831 1 44 . 1 1 5 5 ILE HD11 H 1 0.659 0.020 . 1 . . . A 3 ILE HD11 . 18831 1 45 . 1 1 5 5 ILE HD12 H 1 0.659 0.020 . 1 . . . A 3 ILE HD12 . 18831 1 46 . 1 1 5 5 ILE HD13 H 1 0.659 0.020 . 1 . . . A 3 ILE HD13 . 18831 1 47 . 1 1 5 5 ILE C C 13 172.645 0.3 . 1 . . . A 3 ILE C . 18831 1 48 . 1 1 5 5 ILE CA C 13 58.775 0.3 . 1 . . . A 3 ILE CA . 18831 1 49 . 1 1 5 5 ILE CB C 13 41.364 0.3 . 1 . . . A 3 ILE CB . 18831 1 50 . 1 1 5 5 ILE CG1 C 13 24.333 0.3 . 1 . . . A 3 ILE CG1 . 18831 1 51 . 1 1 5 5 ILE CG2 C 13 17.397 0.3 . 1 . . . A 3 ILE CG2 . 18831 1 52 . 1 1 5 5 ILE CD1 C 13 13.731 0.3 . 1 . . . A 3 ILE CD1 . 18831 1 53 . 1 1 5 5 ILE N N 15 114.990 0.3 . 1 . . . A 3 ILE N . 18831 1 54 . 1 1 6 6 PHE H H 1 8.731 0.020 . 1 . . . A 4 PHE H . 18831 1 55 . 1 1 6 6 PHE HA H 1 5.548 0.020 . 1 . . . A 4 PHE HA . 18831 1 56 . 1 1 6 6 PHE HB2 H 1 3.141 0.020 . 2 . . . A 4 PHE HB2 . 18831 1 57 . 1 1 6 6 PHE HB3 H 1 2.950 0.020 . 2 . . . A 4 PHE HB3 . 18831 1 58 . 1 1 6 6 PHE HD1 H 1 7.120 0.020 . 1 . . . A 4 PHE HD1 . 18831 1 59 . 1 1 6 6 PHE HD2 H 1 7.120 0.020 . 1 . . . A 4 PHE HD2 . 18831 1 60 . 1 1 6 6 PHE HE1 H 1 7.311 0.020 . 1 . . . A 4 PHE HE1 . 18831 1 61 . 1 1 6 6 PHE HE2 H 1 7.311 0.020 . 1 . . . A 4 PHE HE2 . 18831 1 62 . 1 1 6 6 PHE HZ H 1 7.300 0.020 . 1 . . . A 4 PHE HZ . 18831 1 63 . 1 1 6 6 PHE C C 13 175.076 0.3 . 1 . . . A 4 PHE C . 18831 1 64 . 1 1 6 6 PHE CA C 13 55.060 0.3 . 1 . . . A 4 PHE CA . 18831 1 65 . 1 1 6 6 PHE CB C 13 40.410 0.3 . 1 . . . A 4 PHE CB . 18831 1 66 . 1 1 6 6 PHE CD1 C 13 131.070 0.3 . 1 . . . A 4 PHE CD1 . 18831 1 67 . 1 1 6 6 PHE CD2 C 13 131.070 0.3 . 1 . . . A 4 PHE CD2 . 18831 1 68 . 1 1 6 6 PHE CE1 C 13 130.550 0.3 . 1 . . . A 4 PHE CE1 . 18831 1 69 . 1 1 6 6 PHE CE2 C 13 130.550 0.3 . 1 . . . A 4 PHE CE2 . 18831 1 70 . 1 1 6 6 PHE CZ C 13 128.930 0.3 . 1 . . . A 4 PHE CZ . 18831 1 71 . 1 1 6 6 PHE N N 15 118.863 0.3 . 1 . . . A 4 PHE N . 18831 1 72 . 1 1 7 7 VAL H H 1 9.155 0.020 . 1 . . . A 5 VAL H . 18831 1 73 . 1 1 7 7 VAL HA H 1 5.055 0.020 . 1 . . . A 5 VAL HA . 18831 1 74 . 1 1 7 7 VAL HB H 1 1.914 0.020 . 1 . . . A 5 VAL HB . 18831 1 75 . 1 1 7 7 VAL HG11 H 1 0.799 0.020 . 2 . . . A 5 VAL HG11 . 18831 1 76 . 1 1 7 7 VAL HG12 H 1 0.799 0.020 . 2 . . . A 5 VAL HG12 . 18831 1 77 . 1 1 7 7 VAL HG13 H 1 0.799 0.020 . 2 . . . A 5 VAL HG13 . 18831 1 78 . 1 1 7 7 VAL HG21 H 1 0.797 0.020 . 2 . . . A 5 VAL HG21 . 18831 1 79 . 1 1 7 7 VAL HG22 H 1 0.797 0.020 . 2 . . . A 5 VAL HG22 . 18831 1 80 . 1 1 7 7 VAL HG23 H 1 0.797 0.020 . 2 . . . A 5 VAL HG23 . 18831 1 81 . 1 1 7 7 VAL C C 13 174.974 0.3 . 1 . . . A 5 VAL C . 18831 1 82 . 1 1 7 7 VAL CA C 13 59.904 0.3 . 1 . . . A 5 VAL CA . 18831 1 83 . 1 1 7 7 VAL CB C 13 33.375 0.3 . 1 . . . A 5 VAL CB . 18831 1 84 . 1 1 7 7 VAL CG1 C 13 20.957 0.3 . 1 . . . A 5 VAL CG1 . 18831 1 85 . 1 1 7 7 VAL CG2 C 13 20.130 0.3 . 1 . . . A 5 VAL CG2 . 18831 1 86 . 1 1 7 7 VAL N N 15 119.550 0.3 . 1 . . . A 5 VAL N . 18831 1 87 . 1 1 8 8 LYS H H 1 9.078 0.020 . 1 . . . A 6 LYS H . 18831 1 88 . 1 1 8 8 LYS HA H 1 4.977 0.020 . 1 . . . A 6 LYS HA . 18831 1 89 . 1 1 8 8 LYS HB2 H 1 1.474 0.020 . 2 . . . A 6 LYS HB2 . 18831 1 90 . 1 1 8 8 LYS HB3 H 1 1.792 0.020 . 2 . . . A 6 LYS HB3 . 18831 1 91 . 1 1 8 8 LYS HE2 H 1 2.966 0.020 . 1 . . . A 6 LYS HE2 . 18831 1 92 . 1 1 8 8 LYS HE3 H 1 2.966 0.020 . 1 . . . A 6 LYS HE3 . 18831 1 93 . 1 1 8 8 LYS C C 13 176.045 0.3 . 1 . . . A 6 LYS C . 18831 1 94 . 1 1 8 8 LYS CA C 13 54.697 0.3 . 1 . . . A 6 LYS CA . 18831 1 95 . 1 1 8 8 LYS CB C 13 34.391 0.3 . 1 . . . A 6 LYS CB . 18831 1 96 . 1 1 8 8 LYS CG C 13 24.258 0.3 . 1 . . . A 6 LYS CG . 18831 1 97 . 1 1 8 8 LYS CD C 13 28.863 0.3 . 1 . . . A 6 LYS CD . 18831 1 98 . 1 1 8 8 LYS CE C 13 41.104 0.3 . 1 . . . A 6 LYS CE . 18831 1 99 . 1 1 8 8 LYS N N 15 129.015 0.3 . 1 . . . A 6 LYS N . 18831 1 100 . 1 1 9 9 GLY H H 1 8.649 0.020 . 1 . . . A 7 GLY H . 18831 1 101 . 1 1 9 9 GLY HA2 H 1 4.378 0.020 . 2 . . . A 7 GLY HA2 . 18831 1 102 . 1 1 9 9 GLY HA3 H 1 4.584 0.020 . 2 . . . A 7 GLY HA3 . 18831 1 103 . 1 1 9 9 GLY C C 13 175.552 0.3 . 1 . . . A 7 GLY C . 18831 1 104 . 1 1 9 9 GLY CA C 13 43.924 0.3 . 1 . . . A 7 GLY CA . 18831 1 105 . 1 1 9 9 GLY N N 15 111.500 0.3 . 1 . . . A 7 GLY N . 18831 1 106 . 1 1 10 10 LEU H H 1 8.562 0.020 . 1 . . . A 8 LEU H . 18831 1 107 . 1 1 10 10 LEU HA H 1 4.303 0.020 . 1 . . . A 8 LEU HA . 18831 1 108 . 1 1 10 10 LEU HB2 H 1 1.645 0.020 . 2 . . . A 8 LEU HB2 . 18831 1 109 . 1 1 10 10 LEU HB3 H 1 1.763 0.020 . 2 . . . A 8 LEU HB3 . 18831 1 110 . 1 1 10 10 LEU HG H 1 1.709 0.020 . 1 . . . A 8 LEU HG . 18831 1 111 . 1 1 10 10 LEU HD11 H 1 0.867 0.020 . 1 . . . A 8 LEU HD11 . 18831 1 112 . 1 1 10 10 LEU HD12 H 1 0.867 0.020 . 1 . . . A 8 LEU HD12 . 18831 1 113 . 1 1 10 10 LEU HD13 H 1 0.867 0.020 . 1 . . . A 8 LEU HD13 . 18831 1 114 . 1 1 10 10 LEU HD21 H 1 0.867 0.020 . 1 . . . A 8 LEU HD21 . 18831 1 115 . 1 1 10 10 LEU HD22 H 1 0.867 0.020 . 1 . . . A 8 LEU HD22 . 18831 1 116 . 1 1 10 10 LEU HD23 H 1 0.867 0.020 . 1 . . . A 8 LEU HD23 . 18831 1 117 . 1 1 10 10 LEU CA C 13 56.498 0.3 . 1 . . . A 8 LEU CA . 18831 1 118 . 1 1 10 10 LEU CB C 13 41.779 0.3 . 1 . . . A 8 LEU CB . 18831 1 119 . 1 1 10 10 LEU CD1 C 13 22.838 0.3 . 1 . . . A 8 LEU CD1 . 18831 1 120 . 1 1 10 10 LEU N N 15 120.313 0.3 . 1 . . . A 8 LEU N . 18831 1 121 . 1 1 11 11 THR HA H 1 4.564 0.020 . 1 . . . A 9 THR HA . 18831 1 122 . 1 1 11 11 THR HB H 1 4.570 0.020 . 1 . . . A 9 THR HB . 18831 1 123 . 1 1 11 11 THR HG21 H 1 1.279 0.020 . 1 . . . A 9 THR HG21 . 18831 1 124 . 1 1 11 11 THR HG22 H 1 1.279 0.020 . 1 . . . A 9 THR HG22 . 18831 1 125 . 1 1 11 11 THR HG23 H 1 1.279 0.020 . 1 . . . A 9 THR HG23 . 18831 1 126 . 1 1 11 11 THR C C 13 175.093 0.3 . 1 . . . A 9 THR C . 18831 1 127 . 1 1 11 11 THR CA C 13 60.451 0.3 . 1 . . . A 9 THR CA . 18831 1 128 . 1 1 11 11 THR CB C 13 69.020 0.3 . 1 . . . A 9 THR CB . 18831 1 129 . 1 1 11 11 THR CG2 C 13 21.130 0.3 . 1 . . . A 9 THR CG2 . 18831 1 130 . 1 1 12 12 GLY H H 1 8.123 0.020 . 1 . . . A 10 GLY H . 18831 1 131 . 1 1 12 12 GLY HA2 H 1 3.735 0.020 . 2 . . . A 10 GLY HA2 . 18831 1 132 . 1 1 12 12 GLY HA3 H 1 4.336 0.020 . 2 . . . A 10 GLY HA3 . 18831 1 133 . 1 1 12 12 GLY C C 13 174.039 0.3 . 1 . . . A 10 GLY C . 18831 1 134 . 1 1 12 12 GLY CA C 13 44.836 0.3 . 1 . . . A 10 GLY CA . 18831 1 135 . 1 1 12 12 GLY N N 15 109.154 0.3 . 1 . . . A 10 GLY N . 18831 1 136 . 1 1 13 13 LYS H H 1 8.021 0.020 . 1 . . . A 11 LYS H . 18831 1 137 . 1 1 13 13 LYS HA H 1 4.800 0.020 . 1 . . . A 11 LYS HA . 18831 1 138 . 1 1 13 13 LYS CA C 13 55.640 0.3 . 1 . . . A 11 LYS CA . 18831 1 139 . 1 1 13 13 LYS CB C 13 32.390 0.3 . 1 . . . A 11 LYS CB . 18831 1 140 . 1 1 13 13 LYS N N 15 120.968 0.3 . 1 . . . A 11 LYS N . 18831 1 141 . 1 1 14 14 THR HA H 1 5.006 0.020 . 1 . . . A 12 THR HA . 18831 1 142 . 1 1 14 14 THR HB H 1 4.043 0.020 . 1 . . . A 12 THR HB . 18831 1 143 . 1 1 14 14 THR HG21 H 1 1.174 0.020 . 1 . . . A 12 THR HG21 . 18831 1 144 . 1 1 14 14 THR HG22 H 1 1.174 0.020 . 1 . . . A 12 THR HG22 . 18831 1 145 . 1 1 14 14 THR HG23 H 1 1.174 0.020 . 1 . . . A 12 THR HG23 . 18831 1 146 . 1 1 14 14 THR C C 13 174.362 0.3 . 1 . . . A 12 THR C . 18831 1 147 . 1 1 14 14 THR CA C 13 61.969 0.3 . 1 . . . A 12 THR CA . 18831 1 148 . 1 1 14 14 THR CB C 13 69.536 0.3 . 1 . . . A 12 THR CB . 18831 1 149 . 1 1 14 14 THR CG2 C 13 21.713 0.3 . 1 . . . A 12 THR CG2 . 18831 1 150 . 1 1 15 15 THR H H 1 9.028 0.020 . 1 . . . A 13 THR H . 18831 1 151 . 1 1 15 15 THR HA H 1 4.721 0.020 . 1 . . . A 13 THR HA . 18831 1 152 . 1 1 15 15 THR HB H 1 3.995 0.020 . 1 . . . A 13 THR HB . 18831 1 153 . 1 1 15 15 THR HG21 H 1 1.166 0.020 . 1 . . . A 13 THR HG21 . 18831 1 154 . 1 1 15 15 THR HG22 H 1 1.166 0.020 . 1 . . . A 13 THR HG22 . 18831 1 155 . 1 1 15 15 THR HG23 H 1 1.166 0.020 . 1 . . . A 13 THR HG23 . 18831 1 156 . 1 1 15 15 THR C C 13 173.104 0.3 . 1 . . . A 13 THR C . 18831 1 157 . 1 1 15 15 THR CA C 13 61.786 0.3 . 1 . . . A 13 THR CA . 18831 1 158 . 1 1 15 15 THR CB C 13 70.179 0.3 . 1 . . . A 13 THR CB . 18831 1 159 . 1 1 15 15 THR CG2 C 13 20.510 0.3 . 1 . . . A 13 THR CG2 . 18831 1 160 . 1 1 15 15 THR N N 15 124.317 0.3 . 1 . . . A 13 THR N . 18831 1 161 . 1 1 16 16 THR H H 1 8.731 0.020 . 1 . . . A 14 THR H . 18831 1 162 . 1 1 16 16 THR HA H 1 5.055 0.020 . 1 . . . A 14 THR HA . 18831 1 163 . 1 1 16 16 THR HB H 1 4.092 0.020 . 1 . . . A 14 THR HB . 18831 1 164 . 1 1 16 16 THR HG21 H 1 1.172 0.020 . 1 . . . A 14 THR HG21 . 18831 1 165 . 1 1 16 16 THR HG22 H 1 1.172 0.020 . 1 . . . A 14 THR HG22 . 18831 1 166 . 1 1 16 16 THR HG23 H 1 1.172 0.020 . 1 . . . A 14 THR HG23 . 18831 1 167 . 1 1 16 16 THR C C 13 173.274 0.3 . 1 . . . A 14 THR C . 18831 1 168 . 1 1 16 16 THR CA C 13 61.284 0.3 . 1 . . . A 14 THR CA . 18831 1 169 . 1 1 16 16 THR CB C 13 69.510 0.3 . 1 . . . A 14 THR CB . 18831 1 170 . 1 1 16 16 THR CG2 C 13 21.425 0.3 . 1 . . . A 14 THR CG2 . 18831 1 171 . 1 1 16 16 THR N N 15 122.168 0.3 . 1 . . . A 14 THR N . 18831 1 172 . 1 1 17 17 LEU H H 1 8.912 0.020 . 1 . . . A 15 LEU H . 18831 1 173 . 1 1 17 17 LEU HA H 1 4.772 0.020 . 1 . . . A 15 LEU HA . 18831 1 174 . 1 1 17 17 LEU HB2 H 1 1.373 0.020 . 1 . . . A 15 LEU HB2 . 18831 1 175 . 1 1 17 17 LEU HB3 H 1 1.373 0.020 . 1 . . . A 15 LEU HB3 . 18831 1 176 . 1 1 17 17 LEU HG H 1 1.504 0.020 . 1 . . . A 15 LEU HG . 18831 1 177 . 1 1 17 17 LEU HD21 H 1 0.788 0.020 . 1 . . . A 15 LEU HD21 . 18831 1 178 . 1 1 17 17 LEU HD22 H 1 0.788 0.020 . 1 . . . A 15 LEU HD22 . 18831 1 179 . 1 1 17 17 LEU HD23 H 1 0.788 0.020 . 1 . . . A 15 LEU HD23 . 18831 1 180 . 1 1 17 17 LEU C C 13 174.702 0.3 . 1 . . . A 15 LEU C . 18831 1 181 . 1 1 17 17 LEU CA C 13 52.451 0.3 . 1 . . . A 15 LEU CA . 18831 1 182 . 1 1 17 17 LEU CB C 13 46.271 0.3 . 1 . . . A 15 LEU CB . 18831 1 183 . 1 1 17 17 LEU CG C 13 26.316 0.3 . 1 . . . A 15 LEU CG . 18831 1 184 . 1 1 17 17 LEU CD2 C 13 24.024 0.3 . 1 . . . A 15 LEU CD2 . 18831 1 185 . 1 1 17 17 LEU N N 15 125.117 0.3 . 1 . . . A 15 LEU N . 18831 1 186 . 1 1 18 18 GLU H H 1 8.224 0.020 . 1 . . . A 16 GLU H . 18831 1 187 . 1 1 18 18 GLU HA H 1 4.994 0.020 . 1 . . . A 16 GLU HA . 18831 1 188 . 1 1 18 18 GLU HB2 H 1 1.912 0.020 . 2 . . . A 16 GLU HB2 . 18831 1 189 . 1 1 18 18 GLU HB3 H 1 1.950 0.020 . 2 . . . A 16 GLU HB3 . 18831 1 190 . 1 1 18 18 GLU HG2 H 1 2.157 0.020 . 2 . . . A 16 GLU HG2 . 18831 1 191 . 1 1 18 18 GLU HG3 H 1 2.239 0.020 . 2 . . . A 16 GLU HG3 . 18831 1 192 . 1 1 18 18 GLU C C 13 175.926 0.3 . 1 . . . A 16 GLU C . 18831 1 193 . 1 1 18 18 GLU CA C 13 55.060 0.3 . 1 . . . A 16 GLU CA . 18831 1 194 . 1 1 18 18 GLU CB C 13 28.484 0.3 . 1 . . . A 16 GLU CB . 18831 1 195 . 1 1 18 18 GLU CG C 13 35.891 0.3 . 1 . . . A 16 GLU CG . 18831 1 196 . 1 1 18 18 GLU N N 15 122.278 0.3 . 1 . . . A 16 GLU N . 18831 1 197 . 1 1 19 19 VAL H H 1 8.881 0.020 . 1 . . . A 17 VAL H . 18831 1 198 . 1 1 19 19 VAL HA H 1 4.776 0.020 . 1 . . . A 17 VAL HA . 18831 1 199 . 1 1 19 19 VAL HB H 1 2.454 0.020 . 1 . . . A 17 VAL HB . 18831 1 200 . 1 1 19 19 VAL HG11 H 1 0.781 0.020 . 2 . . . A 17 VAL HG11 . 18831 1 201 . 1 1 19 19 VAL HG12 H 1 0.781 0.020 . 2 . . . A 17 VAL HG12 . 18831 1 202 . 1 1 19 19 VAL HG13 H 1 0.781 0.020 . 2 . . . A 17 VAL HG13 . 18831 1 203 . 1 1 19 19 VAL HG21 H 1 0.515 0.020 . 2 . . . A 17 VAL HG21 . 18831 1 204 . 1 1 19 19 VAL HG22 H 1 0.515 0.020 . 2 . . . A 17 VAL HG22 . 18831 1 205 . 1 1 19 19 VAL HG23 H 1 0.515 0.020 . 2 . . . A 17 VAL HG23 . 18831 1 206 . 1 1 19 19 VAL C C 13 173.767 0.3 . 1 . . . A 17 VAL C . 18831 1 207 . 1 1 19 19 VAL CA C 13 58.205 0.3 . 1 . . . A 17 VAL CA . 18831 1 208 . 1 1 19 19 VAL CB C 13 35.869 0.3 . 1 . . . A 17 VAL CB . 18831 1 209 . 1 1 19 19 VAL CG1 C 13 21.758 0.3 . 1 . . . A 17 VAL CG1 . 18831 1 210 . 1 1 19 19 VAL CG2 C 13 18.707 0.3 . 1 . . . A 17 VAL CG2 . 18831 1 211 . 1 1 19 19 VAL N N 15 116.959 0.3 . 1 . . . A 17 VAL N . 18831 1 212 . 1 1 20 20 GLU H H 1 8.492 0.020 . 1 . . . A 18 GLU H . 18831 1 213 . 1 1 20 20 GLU HA H 1 5.062 0.020 . 1 . . . A 18 GLU HA . 18831 1 214 . 1 1 20 20 GLU HB2 H 1 1.708 0.020 . 2 . . . A 18 GLU HB2 . 18831 1 215 . 1 1 20 20 GLU HB3 H 1 2.176 0.020 . 2 . . . A 18 GLU HB3 . 18831 1 216 . 1 1 20 20 GLU HG2 H 1 2.247 0.020 . 2 . . . A 18 GLU HG2 . 18831 1 217 . 1 1 20 20 GLU HG3 H 1 2.372 0.020 . 2 . . . A 18 GLU HG3 . 18831 1 218 . 1 1 20 20 GLU CA C 13 52.483 0.3 . 1 . . . A 18 GLU CA . 18831 1 219 . 1 1 20 20 GLU CB C 13 30.593 0.3 . 1 . . . A 18 GLU CB . 18831 1 220 . 1 1 20 20 GLU CG C 13 35.260 0.3 . 1 . . . A 18 GLU CG . 18831 1 221 . 1 1 20 20 GLU N N 15 118.016 0.3 . 1 . . . A 18 GLU N . 18831 1 222 . 1 1 21 21 PRO HA H 1 4.182 0.020 . 1 . . . A 19 PRO HA . 18831 1 223 . 1 1 21 21 PRO HB2 H 1 2.076 0.020 . 2 . . . A 19 PRO HB2 . 18831 1 224 . 1 1 21 21 PRO HB3 H 1 2.476 0.020 . 2 . . . A 19 PRO HB3 . 18831 1 225 . 1 1 21 21 PRO HG2 H 1 2.146 0.020 . 2 . . . A 19 PRO HG2 . 18831 1 226 . 1 1 21 21 PRO HG3 H 1 2.242 0.020 . 2 . . . A 19 PRO HG3 . 18831 1 227 . 1 1 21 21 PRO HD2 H 1 3.830 0.020 . 2 . . . A 19 PRO HD2 . 18831 1 228 . 1 1 21 21 PRO HD3 H 1 4.039 0.020 . 2 . . . A 19 PRO HD3 . 18831 1 229 . 1 1 21 21 PRO C C 13 175.297 0.3 . 1 . . . A 19 PRO C . 18831 1 230 . 1 1 21 21 PRO CA C 13 64.890 0.3 . 1 . . . A 19 PRO CA . 18831 1 231 . 1 1 21 21 PRO CB C 13 31.116 0.3 . 1 . . . A 19 PRO CB . 18831 1 232 . 1 1 21 21 PRO CG C 13 27.334 0.3 . 1 . . . A 19 PRO CG . 18831 1 233 . 1 1 21 21 PRO CD C 13 50.056 0.3 . 1 . . . A 19 PRO CD . 18831 1 234 . 1 1 22 22 SER H H 1 7.103 0.020 . 1 . . . A 20 SER H . 18831 1 235 . 1 1 22 22 SER HA H 1 4.437 0.020 . 1 . . . A 20 SER HA . 18831 1 236 . 1 1 22 22 SER HB2 H 1 3.839 0.020 . 2 . . . A 20 SER HB2 . 18831 1 237 . 1 1 22 22 SER HB3 H 1 4.210 0.020 . 2 . . . A 20 SER HB3 . 18831 1 238 . 1 1 22 22 SER C C 13 174.447 0.3 . 1 . . . A 20 SER C . 18831 1 239 . 1 1 22 22 SER CA C 13 56.743 0.3 . 1 . . . A 20 SER CA . 18831 1 240 . 1 1 22 22 SER CB C 13 62.880 0.3 . 1 . . . A 20 SER CB . 18831 1 241 . 1 1 22 22 SER N N 15 103.828 0.3 . 1 . . . A 20 SER N . 18831 1 242 . 1 1 23 23 ASP H H 1 8.045 0.020 . 1 . . . A 21 ASP H . 18831 1 243 . 1 1 23 23 ASP HA H 1 4.738 0.020 . 1 . . . A 21 ASP HA . 18831 1 244 . 1 1 23 23 ASP HB2 H 1 2.972 0.020 . 2 . . . A 21 ASP HB2 . 18831 1 245 . 1 1 23 23 ASP HB3 H 1 2.567 0.020 . 2 . . . A 21 ASP HB3 . 18831 1 246 . 1 1 23 23 ASP C C 13 176.402 0.3 . 1 . . . A 21 ASP C . 18831 1 247 . 1 1 23 23 ASP CA C 13 55.390 0.3 . 1 . . . A 21 ASP CA . 18831 1 248 . 1 1 23 23 ASP CB C 13 40.370 0.3 . 1 . . . A 21 ASP CB . 18831 1 249 . 1 1 23 23 ASP N N 15 123.913 0.3 . 1 . . . A 21 ASP N . 18831 1 250 . 1 1 24 24 THR H H 1 7.967 0.020 . 1 . . . A 22 THR H . 18831 1 251 . 1 1 24 24 THR HA H 1 4.938 0.020 . 1 . . . A 22 THR HA . 18831 1 252 . 1 1 24 24 THR HB H 1 4.843 0.020 . 1 . . . A 22 THR HB . 18831 1 253 . 1 1 24 24 THR HG21 H 1 1.338 0.020 . 1 . . . A 22 THR HG21 . 18831 1 254 . 1 1 24 24 THR HG22 H 1 1.338 0.020 . 1 . . . A 22 THR HG22 . 18831 1 255 . 1 1 24 24 THR HG23 H 1 1.338 0.020 . 1 . . . A 22 THR HG23 . 18831 1 256 . 1 1 24 24 THR C C 13 176.555 0.3 . 1 . . . A 22 THR C . 18831 1 257 . 1 1 24 24 THR CA C 13 59.079 0.3 . 1 . . . A 22 THR CA . 18831 1 258 . 1 1 24 24 THR CB C 13 70.433 0.3 . 1 . . . A 22 THR CB . 18831 1 259 . 1 1 24 24 THR CG2 C 13 21.683 0.3 . 1 . . . A 22 THR CG2 . 18831 1 260 . 1 1 24 24 THR N N 15 109.500 0.3 . 1 . . . A 22 THR N . 18831 1 261 . 1 1 25 25 ILE H H 1 8.628 0.020 . 1 . . . A 23 ILE H . 18831 1 262 . 1 1 25 25 ILE HA H 1 3.692 0.020 . 1 . . . A 23 ILE HA . 18831 1 263 . 1 1 25 25 ILE HB H 1 2.517 0.020 . 1 . . . A 23 ILE HB . 18831 1 264 . 1 1 25 25 ILE HG12 H 1 1.377 0.020 . 2 . . . A 23 ILE HG12 . 18831 1 265 . 1 1 25 25 ILE HG13 H 1 1.951 0.020 . 2 . . . A 23 ILE HG13 . 18831 1 266 . 1 1 25 25 ILE HG21 H 1 0.840 0.020 . 1 . . . A 23 ILE HG21 . 18831 1 267 . 1 1 25 25 ILE HG22 H 1 0.840 0.020 . 1 . . . A 23 ILE HG22 . 18831 1 268 . 1 1 25 25 ILE HG23 H 1 0.840 0.020 . 1 . . . A 23 ILE HG23 . 18831 1 269 . 1 1 25 25 ILE HD11 H 1 0.651 0.020 . 1 . . . A 23 ILE HD11 . 18831 1 270 . 1 1 25 25 ILE HD12 H 1 0.651 0.020 . 1 . . . A 23 ILE HD12 . 18831 1 271 . 1 1 25 25 ILE HD13 H 1 0.651 0.020 . 1 . . . A 23 ILE HD13 . 18831 1 272 . 1 1 25 25 ILE CA C 13 61.819 0.3 . 1 . . . A 23 ILE CA . 18831 1 273 . 1 1 25 25 ILE CB C 13 33.920 0.3 . 1 . . . A 23 ILE CB . 18831 1 274 . 1 1 25 25 ILE CG1 C 13 27.120 0.3 . 1 . . . A 23 ILE CG1 . 18831 1 275 . 1 1 25 25 ILE CG2 C 13 17.680 0.3 . 1 . . . A 23 ILE CG2 . 18831 1 276 . 1 1 25 25 ILE CD1 C 13 8.971 0.3 . 1 . . . A 23 ILE CD1 . 18831 1 277 . 1 1 25 25 ILE N N 15 121.579 0.3 . 1 . . . A 23 ILE N . 18831 1 278 . 1 1 26 26 GLU HA H 1 3.954 0.020 . 1 . . . A 24 GLU HA . 18831 1 279 . 1 1 26 26 GLU HB2 H 1 2.066 0.020 . 2 . . . A 24 GLU HB2 . 18831 1 280 . 1 1 26 26 GLU HB3 H 1 2.102 0.020 . 2 . . . A 24 GLU HB3 . 18831 1 281 . 1 1 26 26 GLU HG2 H 1 2.360 0.020 . 1 . . . A 24 GLU HG2 . 18831 1 282 . 1 1 26 26 GLU HG3 H 1 2.360 0.020 . 1 . . . A 24 GLU HG3 . 18831 1 283 . 1 1 26 26 GLU C C 13 179.002 0.3 . 1 . . . A 24 GLU C . 18831 1 284 . 1 1 26 26 GLU CA C 13 60.330 0.3 . 1 . . . A 24 GLU CA . 18831 1 285 . 1 1 26 26 GLU CB C 13 27.940 0.3 . 1 . . . A 24 GLU CB . 18831 1 286 . 1 1 26 26 GLU CG C 13 35.847 0.3 . 1 . . . A 24 GLU CG . 18831 1 287 . 1 1 27 27 ASN H H 1 7.953 0.020 . 1 . . . A 25 ASN H . 18831 1 288 . 1 1 27 27 ASN HA H 1 4.620 0.020 . 1 . . . A 25 ASN HA . 18831 1 289 . 1 1 27 27 ASN HB2 H 1 3.229 0.020 . 2 . . . A 25 ASN HB2 . 18831 1 290 . 1 1 27 27 ASN HB3 H 1 2.904 0.020 . 2 . . . A 25 ASN HB3 . 18831 1 291 . 1 1 27 27 ASN C C 13 178.322 0.3 . 1 . . . A 25 ASN C . 18831 1 292 . 1 1 27 27 ASN CA C 13 55.244 0.3 . 1 . . . A 25 ASN CA . 18831 1 293 . 1 1 27 27 ASN CB C 13 37.760 0.3 . 1 . . . A 25 ASN CB . 18831 1 294 . 1 1 27 27 ASN N N 15 121.468 0.3 . 1 . . . A 25 ASN N . 18831 1 295 . 1 1 28 28 VAL H H 1 8.312 0.020 . 1 . . . A 26 VAL H . 18831 1 296 . 1 1 28 28 VAL HA H 1 3.484 0.020 . 1 . . . A 26 VAL HA . 18831 1 297 . 1 1 28 28 VAL HB H 1 2.390 0.020 . 1 . . . A 26 VAL HB . 18831 1 298 . 1 1 28 28 VAL HG11 H 1 0.760 0.020 . 2 . . . A 26 VAL HG11 . 18831 1 299 . 1 1 28 28 VAL HG12 H 1 0.760 0.020 . 2 . . . A 26 VAL HG12 . 18831 1 300 . 1 1 28 28 VAL HG13 H 1 0.760 0.020 . 2 . . . A 26 VAL HG13 . 18831 1 301 . 1 1 28 28 VAL HG21 H 1 1.055 0.020 . 2 . . . A 26 VAL HG21 . 18831 1 302 . 1 1 28 28 VAL HG22 H 1 1.055 0.020 . 2 . . . A 26 VAL HG22 . 18831 1 303 . 1 1 28 28 VAL HG23 H 1 1.055 0.020 . 2 . . . A 26 VAL HG23 . 18831 1 304 . 1 1 28 28 VAL C C 13 177.812 0.3 . 1 . . . A 26 VAL C . 18831 1 305 . 1 1 28 28 VAL CA C 13 67.046 0.3 . 1 . . . A 26 VAL CA . 18831 1 306 . 1 1 28 28 VAL CB C 13 30.300 0.3 . 1 . . . A 26 VAL CB . 18831 1 307 . 1 1 28 28 VAL CG1 C 13 20.672 0.3 . 1 . . . A 26 VAL CG1 . 18831 1 308 . 1 1 28 28 VAL CG2 C 13 23.350 0.3 . 1 . . . A 26 VAL CG2 . 18831 1 309 . 1 1 28 28 VAL N N 15 122.536 0.3 . 1 . . . A 26 VAL N . 18831 1 310 . 1 1 29 29 LYS H H 1 8.742 0.020 . 1 . . . A 27 LYS H . 18831 1 311 . 1 1 29 29 LYS HA H 1 4.587 0.020 . 1 . . . A 27 LYS HA . 18831 1 312 . 1 1 29 29 LYS HB2 H 1 1.515 0.020 . 2 . . . A 27 LYS HB2 . 18831 1 313 . 1 1 29 29 LYS HB3 H 1 2.068 0.020 . 2 . . . A 27 LYS HB3 . 18831 1 314 . 1 1 29 29 LYS HG2 H 1 1.648 0.020 . 1 . . . A 27 LYS HG2 . 18831 1 315 . 1 1 29 29 LYS HG3 H 1 1.648 0.020 . 1 . . . A 27 LYS HG3 . 18831 1 316 . 1 1 29 29 LYS C C 13 180.277 0.3 . 1 . . . A 27 LYS C . 18831 1 317 . 1 1 29 29 LYS CA C 13 58.883 0.3 . 1 . . . A 27 LYS CA . 18831 1 318 . 1 1 29 29 LYS CB C 13 33.103 0.3 . 1 . . . A 27 LYS CB . 18831 1 319 . 1 1 29 29 LYS CG C 13 25.800 0.3 . 1 . . . A 27 LYS CG . 18831 1 320 . 1 1 29 29 LYS N N 15 119.303 0.3 . 1 . . . A 27 LYS N . 18831 1 321 . 1 1 30 30 ALA H H 1 7.877 0.020 . 1 . . . A 28 ALA H . 18831 1 322 . 1 1 30 30 ALA HA H 1 4.230 0.020 . 1 . . . A 28 ALA HA . 18831 1 323 . 1 1 30 30 ALA HB1 H 1 1.701 0.020 . 1 . . . A 28 ALA HB1 . 18831 1 324 . 1 1 30 30 ALA HB2 H 1 1.701 0.020 . 1 . . . A 28 ALA HB2 . 18831 1 325 . 1 1 30 30 ALA HB3 H 1 1.701 0.020 . 1 . . . A 28 ALA HB3 . 18831 1 326 . 1 1 30 30 ALA C C 13 180.215 0.3 . 1 . . . A 28 ALA C . 18831 1 327 . 1 1 30 30 ALA CA C 13 54.840 0.3 . 1 . . . A 28 ALA CA . 18831 1 328 . 1 1 30 30 ALA CB C 13 17.096 0.3 . 1 . . . A 28 ALA CB . 18831 1 329 . 1 1 30 30 ALA N N 15 123.505 0.3 . 1 . . . A 28 ALA N . 18831 1 330 . 1 1 31 31 LYS H H 1 7.927 0.020 . 1 . . . A 29 LYS H . 18831 1 331 . 1 1 31 31 LYS HA H 1 4.250 0.020 . 1 . . . A 29 LYS HA . 18831 1 332 . 1 1 31 31 LYS HB2 H 1 2.182 0.020 . 2 . . . A 29 LYS HB2 . 18831 1 333 . 1 1 31 31 LYS HB3 H 1 1.998 0.020 . 2 . . . A 29 LYS HB3 . 18831 1 334 . 1 1 31 31 LYS HG2 H 1 1.594 0.020 . 1 . . . A 29 LYS HG2 . 18831 1 335 . 1 1 31 31 LYS HG3 H 1 1.594 0.020 . 1 . . . A 29 LYS HG3 . 18831 1 336 . 1 1 31 31 LYS C C 13 180.229 0.3 . 1 . . . A 29 LYS C . 18831 1 337 . 1 1 31 31 LYS CA C 13 59.142 0.3 . 1 . . . A 29 LYS CA . 18831 1 338 . 1 1 31 31 LYS CB C 13 32.520 0.3 . 1 . . . A 29 LYS CB . 18831 1 339 . 1 1 31 31 LYS CG C 13 26.080 0.3 . 1 . . . A 29 LYS CG . 18831 1 340 . 1 1 31 31 LYS CD C 13 29.620 0.3 . 1 . . . A 29 LYS CD . 18831 1 341 . 1 1 31 31 LYS CE C 13 41.920 0.3 . 1 . . . A 29 LYS CE . 18831 1 342 . 1 1 31 31 LYS N N 15 120.598 0.3 . 1 . . . A 29 LYS N . 18831 1 343 . 1 1 32 32 ILE H H 1 8.614 0.020 . 1 . . . A 30 ILE H . 18831 1 344 . 1 1 32 32 ILE HA H 1 3.580 0.020 . 1 . . . A 30 ILE HA . 18831 1 345 . 1 1 32 32 ILE HB H 1 2.388 0.020 . 1 . . . A 30 ILE HB . 18831 1 346 . 1 1 32 32 ILE HG12 H 1 2.003 0.020 . 1 . . . A 30 ILE HG12 . 18831 1 347 . 1 1 32 32 ILE HG13 H 1 2.003 0.020 . 1 . . . A 30 ILE HG13 . 18831 1 348 . 1 1 32 32 ILE HG21 H 1 0.780 0.020 . 1 . . . A 30 ILE HG21 . 18831 1 349 . 1 1 32 32 ILE HG22 H 1 0.780 0.020 . 1 . . . A 30 ILE HG22 . 18831 1 350 . 1 1 32 32 ILE HG23 H 1 0.780 0.020 . 1 . . . A 30 ILE HG23 . 18831 1 351 . 1 1 32 32 ILE HD11 H 1 0.856 0.020 . 1 . . . A 30 ILE HD11 . 18831 1 352 . 1 1 32 32 ILE HD12 H 1 0.856 0.020 . 1 . . . A 30 ILE HD12 . 18831 1 353 . 1 1 32 32 ILE HD13 H 1 0.856 0.020 . 1 . . . A 30 ILE HD13 . 18831 1 354 . 1 1 32 32 ILE C C 13 180.286 0.3 . 1 . . . A 30 ILE C . 18831 1 355 . 1 1 32 32 ILE CA C 13 65.377 0.3 . 1 . . . A 30 ILE CA . 18831 1 356 . 1 1 32 32 ILE CB C 13 36.440 0.3 . 1 . . . A 30 ILE CB . 18831 1 357 . 1 1 32 32 ILE CG1 C 13 30.920 0.3 . 1 . . . A 30 ILE CG1 . 18831 1 358 . 1 1 32 32 ILE CG2 C 13 17.038 0.3 . 1 . . . A 30 ILE CG2 . 18831 1 359 . 1 1 32 32 ILE CD1 C 13 14.640 0.3 . 1 . . . A 30 ILE CD1 . 18831 1 360 . 1 1 32 32 ILE N N 15 121.068 0.3 . 1 . . . A 30 ILE N . 18831 1 361 . 1 1 33 33 GLN H H 1 8.756 0.020 . 1 . . . A 31 GLN H . 18831 1 362 . 1 1 33 33 GLN HA H 1 3.997 0.020 . 1 . . . A 31 GLN HA . 18831 1 363 . 1 1 33 33 GLN HB2 H 1 2.017 0.020 . 2 . . . A 31 GLN HB2 . 18831 1 364 . 1 1 33 33 GLN HB3 H 1 2.549 0.020 . 2 . . . A 31 GLN HB3 . 18831 1 365 . 1 1 33 33 GLN HG2 H 1 1.935 0.020 . 2 . . . A 31 GLN HG2 . 18831 1 366 . 1 1 33 33 GLN HG3 H 1 2.287 0.020 . 2 . . . A 31 GLN HG3 . 18831 1 367 . 1 1 33 33 GLN C C 13 178.844 0.3 . 1 . . . A 31 GLN C . 18831 1 368 . 1 1 33 33 GLN CA C 13 59.186 0.3 . 1 . . . A 31 GLN CA . 18831 1 369 . 1 1 33 33 GLN CB C 13 27.100 0.3 . 1 . . . A 31 GLN CB . 18831 1 370 . 1 1 33 33 GLN CG C 13 32.810 0.3 . 1 . . . A 31 GLN CG . 18831 1 371 . 1 1 33 33 GLN N N 15 126.930 0.3 . 1 . . . A 31 GLN N . 18831 1 372 . 1 1 34 34 ASP H H 1 8.033 0.020 . 1 . . . A 32 ASP H . 18831 1 373 . 1 1 34 34 ASP HA H 1 4.414 0.020 . 1 . . . A 32 ASP HA . 18831 1 374 . 1 1 34 34 ASP HB2 H 1 2.827 0.020 . 2 . . . A 32 ASP HB2 . 18831 1 375 . 1 1 34 34 ASP HB3 H 1 2.932 0.020 . 2 . . . A 32 ASP HB3 . 18831 1 376 . 1 1 34 34 ASP C C 13 177.501 0.3 . 1 . . . A 32 ASP C . 18831 1 377 . 1 1 34 34 ASP CA C 13 57.031 0.3 . 1 . . . A 32 ASP CA . 18831 1 378 . 1 1 34 34 ASP CB C 13 40.370 0.3 . 1 . . . A 32 ASP CB . 18831 1 379 . 1 1 34 34 ASP N N 15 120.549 0.3 . 1 . . . A 32 ASP N . 18831 1 380 . 1 1 35 35 LYS H H 1 7.386 0.020 . 1 . . . A 33 LYS H . 18831 1 381 . 1 1 35 35 LYS HA H 1 4.333 0.020 . 1 . . . A 33 LYS HA . 18831 1 382 . 1 1 35 35 LYS HB2 H 1 1.963 0.020 . 1 . . . A 33 LYS HB2 . 18831 1 383 . 1 1 35 35 LYS HB3 H 1 1.963 0.020 . 1 . . . A 33 LYS HB3 . 18831 1 384 . 1 1 35 35 LYS HG2 H 1 1.621 0.020 . 1 . . . A 33 LYS HG2 . 18831 1 385 . 1 1 35 35 LYS HG3 H 1 1.621 0.020 . 1 . . . A 33 LYS HG3 . 18831 1 386 . 1 1 35 35 LYS C C 13 178.038 0.3 . 1 . . . A 33 LYS C . 18831 1 387 . 1 1 35 35 LYS CA C 13 56.860 0.3 . 1 . . . A 33 LYS CA . 18831 1 388 . 1 1 35 35 LYS CB C 13 33.360 0.3 . 1 . . . A 33 LYS CB . 18831 1 389 . 1 1 35 35 LYS N N 15 113.834 0.3 . 1 . . . A 33 LYS N . 18831 1 390 . 1 1 36 36 THR H H 1 8.263 0.020 . 1 . . . A 34 THR H . 18831 1 391 . 1 1 36 36 THR HA H 1 4.718 0.020 . 1 . . . A 34 THR HA . 18831 1 392 . 1 1 36 36 THR HB H 1 4.290 0.020 . 1 . . . A 34 THR HB . 18831 1 393 . 1 1 36 36 THR HG21 H 1 1.241 0.020 . 1 . . . A 34 THR HG21 . 18831 1 394 . 1 1 36 36 THR HG22 H 1 1.241 0.020 . 1 . . . A 34 THR HG22 . 18831 1 395 . 1 1 36 36 THR HG23 H 1 1.241 0.020 . 1 . . . A 34 THR HG23 . 18831 1 396 . 1 1 36 36 THR C C 13 175.819 0.3 . 1 . . . A 34 THR C . 18831 1 397 . 1 1 36 36 THR CA C 13 62.179 0.3 . 1 . . . A 34 THR CA . 18831 1 398 . 1 1 36 36 THR CB C 13 72.477 0.3 . 1 . . . A 34 THR CB . 18831 1 399 . 1 1 36 36 THR CG2 C 13 20.359 0.3 . 1 . . . A 34 THR CG2 . 18831 1 400 . 1 1 36 36 THR N N 15 106.465 0.3 . 1 . . . A 34 THR N . 18831 1 401 . 1 1 37 37 GLY H H 1 8.810 0.020 . 1 . . . A 35 GLY H . 18831 1 402 . 1 1 37 37 GLY HA2 H 1 4.355 0.020 . 2 . . . A 35 GLY HA2 . 18831 1 403 . 1 1 37 37 GLY HA3 H 1 3.846 0.020 . 2 . . . A 35 GLY HA3 . 18831 1 404 . 1 1 37 37 GLY C C 13 174.166 0.3 . 1 . . . A 35 GLY C . 18831 1 405 . 1 1 37 37 GLY CA C 13 44.606 0.3 . 1 . . . A 35 GLY CA . 18831 1 406 . 1 1 37 37 GLY N N 15 112.744 0.3 . 1 . . . A 35 GLY N . 18831 1 407 . 1 1 38 38 LEU H H 1 7.614 0.020 . 1 . . . A 36 LEU H . 18831 1 408 . 1 1 38 38 LEU HA H 1 4.535 0.020 . 1 . . . A 36 LEU HA . 18831 1 409 . 1 1 38 38 LEU HB2 H 1 1.356 0.020 . 2 . . . A 36 LEU HB2 . 18831 1 410 . 1 1 38 38 LEU HB3 H 1 1.245 0.020 . 2 . . . A 36 LEU HB3 . 18831 1 411 . 1 1 38 38 LEU HG H 1 1.325 0.020 . 1 . . . A 36 LEU HG . 18831 1 412 . 1 1 38 38 LEU HD11 H 1 0.573 0.020 . 2 . . . A 36 LEU HD11 . 18831 1 413 . 1 1 38 38 LEU HD12 H 1 0.573 0.020 . 2 . . . A 36 LEU HD12 . 18831 1 414 . 1 1 38 38 LEU HD13 H 1 0.573 0.020 . 2 . . . A 36 LEU HD13 . 18831 1 415 . 1 1 38 38 LEU HD21 H 1 0.491 0.020 . 2 . . . A 36 LEU HD21 . 18831 1 416 . 1 1 38 38 LEU HD22 H 1 0.491 0.020 . 2 . . . A 36 LEU HD22 . 18831 1 417 . 1 1 38 38 LEU HD23 H 1 0.491 0.020 . 2 . . . A 36 LEU HD23 . 18831 1 418 . 1 1 38 38 LEU CA C 13 52.084 0.3 . 1 . . . A 36 LEU CA . 18831 1 419 . 1 1 38 38 LEU CB C 13 42.445 0.3 . 1 . . . A 36 LEU CB . 18831 1 420 . 1 1 38 38 LEU CG C 13 25.820 0.3 . 1 . . . A 36 LEU CG . 18831 1 421 . 1 1 38 38 LEU CD1 C 13 23.972 0.3 . 1 . . . A 36 LEU CD1 . 18831 1 422 . 1 1 38 38 LEU CD2 C 13 24.177 0.3 . 1 . . . A 36 LEU CD2 . 18831 1 423 . 1 1 38 38 LEU N N 15 125.200 0.3 . 1 . . . A 36 LEU N . 18831 1 424 . 1 1 39 39 PRO HA H 1 4.664 0.020 . 1 . . . A 37 PRO HA . 18831 1 425 . 1 1 39 39 PRO HB2 H 1 1.991 0.020 . 2 . . . A 37 PRO HB2 . 18831 1 426 . 1 1 39 39 PRO HB3 H 1 2.464 0.020 . 2 . . . A 37 PRO HB3 . 18831 1 427 . 1 1 39 39 PRO HG2 H 1 2.096 0.020 . 2 . . . A 37 PRO HG2 . 18831 1 428 . 1 1 39 39 PRO HG3 H 1 2.160 0.020 . 2 . . . A 37 PRO HG3 . 18831 1 429 . 1 1 39 39 PRO HD2 H 1 3.520 0.020 . 2 . . . A 37 PRO HD2 . 18831 1 430 . 1 1 39 39 PRO HD3 H 1 4.407 0.020 . 2 . . . A 37 PRO HD3 . 18831 1 431 . 1 1 39 39 PRO CA C 13 60.900 0.3 . 1 . . . A 37 PRO CA . 18831 1 432 . 1 1 39 39 PRO CB C 13 30.870 0.3 . 1 . . . A 37 PRO CB . 18831 1 433 . 1 1 39 39 PRO CG C 13 27.490 0.3 . 1 . . . A 37 PRO CG . 18831 1 434 . 1 1 39 39 PRO CD C 13 50.450 0.3 . 1 . . . A 37 PRO CD . 18831 1 435 . 1 1 40 40 PRO HA H 1 4.150 0.020 . 1 . . . A 38 PRO HA . 18831 1 436 . 1 1 40 40 PRO HB2 H 1 2.100 0.020 . 2 . . . A 38 PRO HB2 . 18831 1 437 . 1 1 40 40 PRO HB3 H 1 2.295 0.020 . 2 . . . A 38 PRO HB3 . 18831 1 438 . 1 1 40 40 PRO HG2 H 1 1.689 0.020 . 2 . . . A 38 PRO HG2 . 18831 1 439 . 1 1 40 40 PRO HG3 H 1 2.227 0.020 . 2 . . . A 38 PRO HG3 . 18831 1 440 . 1 1 40 40 PRO HD2 H 1 3.786 0.020 . 1 . . . A 38 PRO HD2 . 18831 1 441 . 1 1 40 40 PRO HD3 H 1 3.786 0.020 . 1 . . . A 38 PRO HD3 . 18831 1 442 . 1 1 40 40 PRO C C 13 178.123 0.3 . 1 . . . A 38 PRO C . 18831 1 443 . 1 1 40 40 PRO CA C 13 65.601 0.3 . 1 . . . A 38 PRO CA . 18831 1 444 . 1 1 40 40 PRO CB C 13 32.400 0.3 . 1 . . . A 38 PRO CB . 18831 1 445 . 1 1 40 40 PRO CG C 13 27.194 0.3 . 1 . . . A 38 PRO CG . 18831 1 446 . 1 1 40 40 PRO CD C 13 50.480 0.3 . 1 . . . A 38 PRO CD . 18831 1 447 . 1 1 41 41 ASP H H 1 8.518 0.020 . 1 . . . A 39 ASP H . 18831 1 448 . 1 1 41 41 ASP HA H 1 4.477 0.020 . 1 . . . A 39 ASP HA . 18831 1 449 . 1 1 41 41 ASP HB2 H 1 2.723 0.020 . 2 . . . A 39 ASP HB2 . 18831 1 450 . 1 1 41 41 ASP HB3 H 1 2.827 0.020 . 2 . . . A 39 ASP HB3 . 18831 1 451 . 1 1 41 41 ASP C C 13 176.823 0.3 . 1 . . . A 39 ASP C . 18831 1 452 . 1 1 41 41 ASP CA C 13 55.050 0.3 . 1 . . . A 39 ASP CA . 18831 1 453 . 1 1 41 41 ASP CB C 13 39.150 0.3 . 1 . . . A 39 ASP CB . 18831 1 454 . 1 1 41 41 ASP N N 15 113.380 0.3 . 1 . . . A 39 ASP N . 18831 1 455 . 1 1 42 42 GLN H H 1 7.864 0.020 . 1 . . . A 40 GLN H . 18831 1 456 . 1 1 42 42 GLN HA H 1 4.545 0.020 . 1 . . . A 40 GLN HA . 18831 1 457 . 1 1 42 42 GLN HB2 H 1 1.853 0.020 . 2 . . . A 40 GLN HB2 . 18831 1 458 . 1 1 42 42 GLN HB3 H 1 1.906 0.020 . 2 . . . A 40 GLN HB3 . 18831 1 459 . 1 1 42 42 GLN HG2 H 1 2.437 0.020 . 2 . . . A 40 GLN HG2 . 18831 1 460 . 1 1 42 42 GLN HG3 H 1 2.621 0.020 . 2 . . . A 40 GLN HG3 . 18831 1 461 . 1 1 42 42 GLN C C 13 174.900 0.3 . 1 . . . A 40 GLN C . 18831 1 462 . 1 1 42 42 GLN CA C 13 54.940 0.3 . 1 . . . A 40 GLN CA . 18831 1 463 . 1 1 42 42 GLN CB C 13 29.160 0.3 . 1 . . . A 40 GLN CB . 18831 1 464 . 1 1 42 42 GLN CG C 13 33.722 0.3 . 1 . . . A 40 GLN CG . 18831 1 465 . 1 1 42 42 GLN N N 15 116.933 0.3 . 1 . . . A 40 GLN N . 18831 1 466 . 1 1 43 43 GLN H H 1 7.446 0.020 . 1 . . . A 41 GLN H . 18831 1 467 . 1 1 43 43 GLN HA H 1 4.381 0.020 . 1 . . . A 41 GLN HA . 18831 1 468 . 1 1 43 43 GLN HB2 H 1 1.833 0.020 . 2 . . . A 41 GLN HB2 . 18831 1 469 . 1 1 43 43 GLN HB3 H 1 1.908 0.020 . 2 . . . A 41 GLN HB3 . 18831 1 470 . 1 1 43 43 GLN HG2 H 1 2.469 0.020 . 1 . . . A 41 GLN HG2 . 18831 1 471 . 1 1 43 43 GLN HG3 H 1 2.469 0.020 . 1 . . . A 41 GLN HG3 . 18831 1 472 . 1 1 43 43 GLN C C 13 175.848 0.3 . 1 . . . A 41 GLN C . 18831 1 473 . 1 1 43 43 GLN CA C 13 55.276 0.3 . 1 . . . A 41 GLN CA . 18831 1 474 . 1 1 43 43 GLN CB C 13 30.840 0.3 . 1 . . . A 41 GLN CB . 18831 1 475 . 1 1 43 43 GLN CG C 13 32.314 0.3 . 1 . . . A 41 GLN CG . 18831 1 476 . 1 1 43 43 GLN N N 15 118.389 0.3 . 1 . . . A 41 GLN N . 18831 1 477 . 1 1 44 44 ARG H H 1 8.408 0.020 . 1 . . . A 42 ARG H . 18831 1 478 . 1 1 44 44 ARG HA H 1 4.561 0.020 . 1 . . . A 42 ARG HA . 18831 1 479 . 1 1 44 44 ARG HB2 H 1 1.733 0.020 . 1 . . . A 42 ARG HB2 . 18831 1 480 . 1 1 44 44 ARG HB3 H 1 1.733 0.020 . 1 . . . A 42 ARG HB3 . 18831 1 481 . 1 1 44 44 ARG HG2 H 1 1.472 0.020 . 2 . . . A 42 ARG HG2 . 18831 1 482 . 1 1 44 44 ARG HG3 H 1 1.586 0.020 . 2 . . . A 42 ARG HG3 . 18831 1 483 . 1 1 44 44 ARG HD2 H 1 3.209 0.020 . 1 . . . A 42 ARG HD2 . 18831 1 484 . 1 1 44 44 ARG HD3 H 1 3.209 0.020 . 1 . . . A 42 ARG HD3 . 18831 1 485 . 1 1 44 44 ARG C C 13 173.812 0.3 . 1 . . . A 42 ARG C . 18831 1 486 . 1 1 44 44 ARG CA C 13 54.933 0.3 . 1 . . . A 42 ARG CA . 18831 1 487 . 1 1 44 44 ARG CB C 13 30.807 0.3 . 1 . . . A 42 ARG CB . 18831 1 488 . 1 1 44 44 ARG CG C 13 26.631 0.3 . 1 . . . A 42 ARG CG . 18831 1 489 . 1 1 44 44 ARG CD C 13 42.889 0.3 . 1 . . . A 42 ARG CD . 18831 1 490 . 1 1 44 44 ARG N N 15 123.499 0.3 . 1 . . . A 42 ARG N . 18831 1 491 . 1 1 45 45 LEU H H 1 8.859 0.020 . 1 . . . A 43 LEU H . 18831 1 492 . 1 1 45 45 LEU HA H 1 5.361 0.020 . 1 . . . A 43 LEU HA . 18831 1 493 . 1 1 45 45 LEU HB2 H 1 1.637 0.020 . 2 . . . A 43 LEU HB2 . 18831 1 494 . 1 1 45 45 LEU HB3 H 1 1.268 0.020 . 2 . . . A 43 LEU HB3 . 18831 1 495 . 1 1 45 45 LEU HG H 1 1.548 0.020 . 1 . . . A 43 LEU HG . 18831 1 496 . 1 1 45 45 LEU HD11 H 1 0.840 0.020 . 2 . . . A 43 LEU HD11 . 18831 1 497 . 1 1 45 45 LEU HD12 H 1 0.840 0.020 . 2 . . . A 43 LEU HD12 . 18831 1 498 . 1 1 45 45 LEU HD13 H 1 0.840 0.020 . 2 . . . A 43 LEU HD13 . 18831 1 499 . 1 1 45 45 LEU HD21 H 1 0.841 0.020 . 2 . . . A 43 LEU HD21 . 18831 1 500 . 1 1 45 45 LEU HD22 H 1 0.841 0.020 . 2 . . . A 43 LEU HD22 . 18831 1 501 . 1 1 45 45 LEU HD23 H 1 0.841 0.020 . 2 . . . A 43 LEU HD23 . 18831 1 502 . 1 1 45 45 LEU C C 13 175.353 0.3 . 1 . . . A 43 LEU C . 18831 1 503 . 1 1 45 45 LEU CA C 13 52.573 0.3 . 1 . . . A 43 LEU CA . 18831 1 504 . 1 1 45 45 LEU CB C 13 44.714 0.3 . 1 . . . A 43 LEU CB . 18831 1 505 . 1 1 45 45 LEU CG C 13 26.842 0.3 . 1 . . . A 43 LEU CG . 18831 1 506 . 1 1 45 45 LEU CD1 C 13 24.839 0.3 . 1 . . . A 43 LEU CD1 . 18831 1 507 . 1 1 45 45 LEU CD2 C 13 23.321 0.3 . 1 . . . A 43 LEU CD2 . 18831 1 508 . 1 1 45 45 LEU N N 15 124.567 0.3 . 1 . . . A 43 LEU N . 18831 1 509 . 1 1 46 46 ILE H H 1 9.206 0.020 . 1 . . . A 44 ILE H . 18831 1 510 . 1 1 46 46 ILE HA H 1 5.000 0.020 . 1 . . . A 44 ILE HA . 18831 1 511 . 1 1 46 46 ILE HB H 1 1.768 0.020 . 1 . . . A 44 ILE HB . 18831 1 512 . 1 1 46 46 ILE HG12 H 1 1.135 0.020 . 2 . . . A 44 ILE HG12 . 18831 1 513 . 1 1 46 46 ILE HG13 H 1 1.397 0.020 . 2 . . . A 44 ILE HG13 . 18831 1 514 . 1 1 46 46 ILE HG21 H 1 0.740 0.020 . 1 . . . A 44 ILE HG21 . 18831 1 515 . 1 1 46 46 ILE HG22 H 1 0.740 0.020 . 1 . . . A 44 ILE HG22 . 18831 1 516 . 1 1 46 46 ILE HG23 H 1 0.740 0.020 . 1 . . . A 44 ILE HG23 . 18831 1 517 . 1 1 46 46 ILE HD11 H 1 0.711 0.020 . 1 . . . A 44 ILE HD11 . 18831 1 518 . 1 1 46 46 ILE HD12 H 1 0.711 0.020 . 1 . . . A 44 ILE HD12 . 18831 1 519 . 1 1 46 46 ILE HD13 H 1 0.711 0.020 . 1 . . . A 44 ILE HD13 . 18831 1 520 . 1 1 46 46 ILE C C 13 175.579 0.3 . 1 . . . A 44 ILE C . 18831 1 521 . 1 1 46 46 ILE CA C 13 58.310 0.3 . 1 . . . A 44 ILE CA . 18831 1 522 . 1 1 46 46 ILE CB C 13 40.528 0.3 . 1 . . . A 44 ILE CB . 18831 1 523 . 1 1 46 46 ILE CG1 C 13 27.299 0.3 . 1 . . . A 44 ILE CG1 . 18831 1 524 . 1 1 46 46 ILE CG2 C 13 17.013 0.3 . 1 . . . A 44 ILE CG2 . 18831 1 525 . 1 1 46 46 ILE CD1 C 13 11.893 0.3 . 1 . . . A 44 ILE CD1 . 18831 1 526 . 1 1 46 46 ILE N N 15 122.662 0.3 . 1 . . . A 44 ILE N . 18831 1 527 . 1 1 47 47 PHE H H 1 8.828 0.020 . 1 . . . A 45 PHE H . 18831 1 528 . 1 1 47 47 PHE HA H 1 5.238 0.020 . 1 . . . A 45 PHE HA . 18831 1 529 . 1 1 47 47 PHE HB2 H 1 2.862 0.020 . 2 . . . A 45 PHE HB2 . 18831 1 530 . 1 1 47 47 PHE HB3 H 1 3.070 0.020 . 2 . . . A 45 PHE HB3 . 18831 1 531 . 1 1 47 47 PHE HD1 H 1 7.430 0.020 . 1 . . . A 45 PHE HD1 . 18831 1 532 . 1 1 47 47 PHE HD2 H 1 7.430 0.020 . 1 . . . A 45 PHE HD2 . 18831 1 533 . 1 1 47 47 PHE HE1 H 1 7.598 0.020 . 1 . . . A 45 PHE HE1 . 18831 1 534 . 1 1 47 47 PHE HE2 H 1 7.598 0.020 . 1 . . . A 45 PHE HE2 . 18831 1 535 . 1 1 47 47 PHE HZ H 1 7.520 0.020 . 1 . . . A 45 PHE HZ . 18831 1 536 . 1 1 47 47 PHE C C 13 174.561 0.3 . 1 . . . A 45 PHE C . 18831 1 537 . 1 1 47 47 PHE CA C 13 55.849 0.3 . 1 . . . A 45 PHE CA . 18831 1 538 . 1 1 47 47 PHE CB C 13 42.890 0.3 . 1 . . . A 45 PHE CB . 18831 1 539 . 1 1 47 47 PHE CD1 C 13 131.440 0.3 . 1 . . . A 45 PHE CD1 . 18831 1 540 . 1 1 47 47 PHE CD2 C 13 131.440 0.3 . 1 . . . A 45 PHE CD2 . 18831 1 541 . 1 1 47 47 PHE CE1 C 13 131.509 0.3 . 1 . . . A 45 PHE CE1 . 18831 1 542 . 1 1 47 47 PHE CE2 C 13 131.509 0.3 . 1 . . . A 45 PHE CE2 . 18831 1 543 . 1 1 47 47 PHE CZ C 13 129.360 0.3 . 1 . . . A 45 PHE CZ . 18831 1 544 . 1 1 47 47 PHE N N 15 124.709 0.3 . 1 . . . A 45 PHE N . 18831 1 545 . 1 1 48 48 ALA H H 1 9.010 0.020 . 1 . . . A 46 ALA H . 18831 1 546 . 1 1 48 48 ALA HA H 1 3.751 0.020 . 1 . . . A 46 ALA HA . 18831 1 547 . 1 1 48 48 ALA HB1 H 1 0.902 0.020 . 1 . . . A 46 ALA HB1 . 18831 1 548 . 1 1 48 48 ALA HB2 H 1 0.902 0.020 . 1 . . . A 46 ALA HB2 . 18831 1 549 . 1 1 48 48 ALA HB3 H 1 0.902 0.020 . 1 . . . A 46 ALA HB3 . 18831 1 550 . 1 1 48 48 ALA C C 13 177.247 0.3 . 1 . . . A 46 ALA C . 18831 1 551 . 1 1 48 48 ALA CA C 13 51.858 0.3 . 1 . . . A 46 ALA CA . 18831 1 552 . 1 1 48 48 ALA CB C 13 15.885 0.3 . 1 . . . A 46 ALA CB . 18831 1 553 . 1 1 48 48 ALA N N 15 132.860 0.3 . 1 . . . A 46 ALA N . 18831 1 554 . 1 1 49 49 GLY H H 1 8.089 0.020 . 1 . . . A 47 GLY H . 18831 1 555 . 1 1 49 49 GLY HA2 H 1 3.488 0.020 . 2 . . . A 47 GLY HA2 . 18831 1 556 . 1 1 49 49 GLY HA3 H 1 4.155 0.020 . 2 . . . A 47 GLY HA3 . 18831 1 557 . 1 1 49 49 GLY C C 13 173.643 0.3 . 1 . . . A 47 GLY C . 18831 1 558 . 1 1 49 49 GLY CA C 13 44.703 0.3 . 1 . . . A 47 GLY CA . 18831 1 559 . 1 1 49 49 GLY N N 15 102.630 0.3 . 1 . . . A 47 GLY N . 18831 1 560 . 1 1 50 50 LYS H H 1 8.028 0.020 . 1 . . . A 48 LYS H . 18831 1 561 . 1 1 50 50 LYS HA H 1 4.667 0.020 . 1 . . . A 48 LYS HA . 18831 1 562 . 1 1 50 50 LYS HB2 H 1 1.972 0.020 . 1 . . . A 48 LYS HB2 . 18831 1 563 . 1 1 50 50 LYS HB3 H 1 1.972 0.020 . 1 . . . A 48 LYS HB3 . 18831 1 564 . 1 1 50 50 LYS HG2 H 1 1.636 0.020 . 1 . . . A 48 LYS HG2 . 18831 1 565 . 1 1 50 50 LYS HG3 H 1 1.636 0.020 . 1 . . . A 48 LYS HG3 . 18831 1 566 . 1 1 50 50 LYS HE2 H 1 3.226 0.020 . 1 . . . A 48 LYS HE2 . 18831 1 567 . 1 1 50 50 LYS HE3 H 1 3.226 0.020 . 1 . . . A 48 LYS HE3 . 18831 1 568 . 1 1 50 50 LYS C C 13 174.519 0.3 . 1 . . . A 48 LYS C . 18831 1 569 . 1 1 50 50 LYS CA C 13 54.001 0.3 . 1 . . . A 48 LYS CA . 18831 1 570 . 1 1 50 50 LYS CB C 13 33.550 0.3 . 1 . . . A 48 LYS CB . 18831 1 571 . 1 1 50 50 LYS CG C 13 23.957 0.3 . 1 . . . A 48 LYS CG . 18831 1 572 . 1 1 50 50 LYS CD C 13 28.671 0.3 . 1 . . . A 48 LYS CD . 18831 1 573 . 1 1 50 50 LYS CE C 13 41.544 0.3 . 1 . . . A 48 LYS CE . 18831 1 574 . 1 1 50 50 LYS N N 15 122.237 0.3 . 1 . . . A 48 LYS N . 18831 1 575 . 1 1 51 51 GLN H H 1 8.643 0.020 . 1 . . . A 49 GLN H . 18831 1 576 . 1 1 51 51 GLN HA H 1 4.497 0.020 . 1 . . . A 49 GLN HA . 18831 1 577 . 1 1 51 51 GLN HB2 H 1 2.036 0.020 . 2 . . . A 49 GLN HB2 . 18831 1 578 . 1 1 51 51 GLN HB3 H 1 1.871 0.020 . 2 . . . A 49 GLN HB3 . 18831 1 579 . 1 1 51 51 GLN HG2 H 1 2.308 0.020 . 1 . . . A 49 GLN HG2 . 18831 1 580 . 1 1 51 51 GLN HG3 H 1 2.308 0.020 . 1 . . . A 49 GLN HG3 . 18831 1 581 . 1 1 51 51 GLN C C 13 175.635 0.3 . 1 . . . A 49 GLN C . 18831 1 582 . 1 1 51 51 GLN CA C 13 55.390 0.3 . 1 . . . A 49 GLN CA . 18831 1 583 . 1 1 51 51 GLN CB C 13 28.407 0.3 . 1 . . . A 49 GLN CB . 18831 1 584 . 1 1 51 51 GLN CG C 13 33.947 0.3 . 1 . . . A 49 GLN CG . 18831 1 585 . 1 1 51 51 GLN N N 15 123.092 0.3 . 1 . . . A 49 GLN N . 18831 1 586 . 1 1 52 52 LEU H H 1 8.544 0.020 . 1 . . . A 50 LEU H . 18831 1 587 . 1 1 52 52 LEU HA H 1 4.153 0.020 . 1 . . . A 50 LEU HA . 18831 1 588 . 1 1 52 52 LEU HB2 H 1 1.075 0.020 . 2 . . . A 50 LEU HB2 . 18831 1 589 . 1 1 52 52 LEU HB3 H 1 1.563 0.020 . 2 . . . A 50 LEU HB3 . 18831 1 590 . 1 1 52 52 LEU HG H 1 1.501 0.020 . 1 . . . A 50 LEU HG . 18831 1 591 . 1 1 52 52 LEU HD11 H 1 0.580 0.020 . 2 . . . A 50 LEU HD11 . 18831 1 592 . 1 1 52 52 LEU HD12 H 1 0.580 0.020 . 2 . . . A 50 LEU HD12 . 18831 1 593 . 1 1 52 52 LEU HD13 H 1 0.580 0.020 . 2 . . . A 50 LEU HD13 . 18831 1 594 . 1 1 52 52 LEU HD21 H 1 -0.090 0.020 . 2 . . . A 50 LEU HD21 . 18831 1 595 . 1 1 52 52 LEU HD22 H 1 -0.090 0.020 . 2 . . . A 50 LEU HD22 . 18831 1 596 . 1 1 52 52 LEU HD23 H 1 -0.090 0.020 . 2 . . . A 50 LEU HD23 . 18831 1 597 . 1 1 52 52 LEU C C 13 176.611 0.3 . 1 . . . A 50 LEU C . 18831 1 598 . 1 1 52 52 LEU CA C 13 53.571 0.3 . 1 . . . A 50 LEU CA . 18831 1 599 . 1 1 52 52 LEU CB C 13 40.803 0.3 . 1 . . . A 50 LEU CB . 18831 1 600 . 1 1 52 52 LEU CG C 13 24.324 0.3 . 1 . . . A 50 LEU CG . 18831 1 601 . 1 1 52 52 LEU CD1 C 13 25.320 0.3 . 1 . . . A 50 LEU CD1 . 18831 1 602 . 1 1 52 52 LEU CD2 C 13 19.314 0.3 . 1 . . . A 50 LEU CD2 . 18831 1 603 . 1 1 52 52 LEU N N 15 125.507 0.3 . 1 . . . A 50 LEU N . 18831 1 604 . 1 1 53 53 GLU H H 1 8.410 0.020 . 1 . . . A 51 GLU H . 18831 1 605 . 1 1 53 53 GLU HA H 1 4.609 0.020 . 1 . . . A 51 GLU HA . 18831 1 606 . 1 1 53 53 GLU HB2 H 1 2.048 0.020 . 1 . . . A 51 GLU HB2 . 18831 1 607 . 1 1 53 53 GLU HB3 H 1 2.048 0.020 . 1 . . . A 51 GLU HB3 . 18831 1 608 . 1 1 53 53 GLU HG2 H 1 2.382 0.020 . 1 . . . A 51 GLU HG2 . 18831 1 609 . 1 1 53 53 GLU HG3 H 1 2.382 0.020 . 1 . . . A 51 GLU HG3 . 18831 1 610 . 1 1 53 53 GLU C C 13 175.226 0.3 . 1 . . . A 51 GLU C . 18831 1 611 . 1 1 53 53 GLU CA C 13 55.480 0.3 . 1 . . . A 51 GLU CA . 18831 1 612 . 1 1 53 53 GLU CB C 13 31.300 0.3 . 1 . . . A 51 GLU CB . 18831 1 613 . 1 1 53 53 GLU CG C 13 36.126 0.3 . 1 . . . A 51 GLU CG . 18831 1 614 . 1 1 53 53 GLU N N 15 123.223 0.3 . 1 . . . A 51 GLU N . 18831 1 615 . 1 1 54 54 ASP H H 1 8.202 0.020 . 1 . . . A 52 ASP H . 18831 1 616 . 1 1 54 54 ASP HA H 1 4.433 0.020 . 1 . . . A 52 ASP HA . 18831 1 617 . 1 1 54 54 ASP HB2 H 1 2.567 0.020 . 2 . . . A 52 ASP HB2 . 18831 1 618 . 1 1 54 54 ASP HB3 H 1 2.689 0.020 . 2 . . . A 52 ASP HB3 . 18831 1 619 . 1 1 54 54 ASP CA C 13 55.992 0.3 . 1 . . . A 52 ASP CA . 18831 1 620 . 1 1 54 54 ASP CB C 13 40.080 0.3 . 1 . . . A 52 ASP CB . 18831 1 621 . 1 1 54 54 ASP N N 15 120.438 0.3 . 1 . . . A 52 ASP N . 18831 1 622 . 1 1 55 55 GLY HA2 H 1 4.126 0.020 . 1 . . . A 53 GLY HA2 . 18831 1 623 . 1 1 55 55 GLY HA3 H 1 4.126 0.020 . 1 . . . A 53 GLY HA3 . 18831 1 624 . 1 1 55 55 GLY C C 13 174.703 0.3 . 1 . . . A 53 GLY C . 18831 1 625 . 1 1 55 55 GLY CA C 13 44.809 0.3 . 1 . . . A 53 GLY CA . 18831 1 626 . 1 1 56 56 ARG H H 1 7.485 0.020 . 1 . . . A 54 ARG H . 18831 1 627 . 1 1 56 56 ARG HA H 1 4.796 0.020 . 1 . . . A 54 ARG HA . 18831 1 628 . 1 1 56 56 ARG HB2 H 1 2.178 0.020 . 2 . . . A 54 ARG HB2 . 18831 1 629 . 1 1 56 56 ARG HB3 H 1 2.310 0.020 . 2 . . . A 54 ARG HB3 . 18831 1 630 . 1 1 56 56 ARG HG2 H 1 1.670 0.020 . 2 . . . A 54 ARG HG2 . 18831 1 631 . 1 1 56 56 ARG HG3 H 1 1.904 0.020 . 2 . . . A 54 ARG HG3 . 18831 1 632 . 1 1 56 56 ARG HD2 H 1 3.143 0.020 . 2 . . . A 54 ARG HD2 . 18831 1 633 . 1 1 56 56 ARG HD3 H 1 3.199 0.020 . 2 . . . A 54 ARG HD3 . 18831 1 634 . 1 1 56 56 ARG C C 13 175.226 0.3 . 1 . . . A 54 ARG C . 18831 1 635 . 1 1 56 56 ARG CA C 13 53.567 0.3 . 1 . . . A 54 ARG CA . 18831 1 636 . 1 1 56 56 ARG CB C 13 31.960 0.3 . 1 . . . A 54 ARG CB . 18831 1 637 . 1 1 56 56 ARG CG C 13 26.931 0.3 . 1 . . . A 54 ARG CG . 18831 1 638 . 1 1 56 56 ARG CD C 13 42.390 0.3 . 1 . . . A 54 ARG CD . 18831 1 639 . 1 1 56 56 ARG N N 15 119.424 0.3 . 1 . . . A 54 ARG N . 18831 1 640 . 1 1 57 57 THR H H 1 8.915 0.020 . 1 . . . A 55 THR H . 18831 1 641 . 1 1 57 57 THR HA H 1 5.330 0.020 . 1 . . . A 55 THR HA . 18831 1 642 . 1 1 57 57 THR HB H 1 4.547 0.020 . 1 . . . A 55 THR HB . 18831 1 643 . 1 1 57 57 THR HG21 H 1 1.185 0.020 . 1 . . . A 55 THR HG21 . 18831 1 644 . 1 1 57 57 THR HG22 H 1 1.185 0.020 . 1 . . . A 55 THR HG22 . 18831 1 645 . 1 1 57 57 THR HG23 H 1 1.185 0.020 . 1 . . . A 55 THR HG23 . 18831 1 646 . 1 1 57 57 THR C C 13 176.484 0.3 . 1 . . . A 55 THR C . 18831 1 647 . 1 1 57 57 THR CA C 13 59.151 0.3 . 1 . . . A 55 THR CA . 18831 1 648 . 1 1 57 57 THR CB C 13 71.868 0.3 . 1 . . . A 55 THR CB . 18831 1 649 . 1 1 57 57 THR CG2 C 13 21.636 0.3 . 1 . . . A 55 THR CG2 . 18831 1 650 . 1 1 57 57 THR N N 15 109.146 0.3 . 1 . . . A 55 THR N . 18831 1 651 . 1 1 58 58 LEU H H 1 8.192 0.020 . 1 . . . A 56 LEU H . 18831 1 652 . 1 1 58 58 LEU HA H 1 4.124 0.020 . 1 . . . A 56 LEU HA . 18831 1 653 . 1 1 58 58 LEU HB2 H 1 1.258 0.020 . 2 . . . A 56 LEU HB2 . 18831 1 654 . 1 1 58 58 LEU HB3 H 1 2.180 0.020 . 2 . . . A 56 LEU HB3 . 18831 1 655 . 1 1 58 58 LEU HG H 1 1.789 0.020 . 1 . . . A 56 LEU HG . 18831 1 656 . 1 1 58 58 LEU HD11 H 1 0.853 0.020 . 2 . . . A 56 LEU HD11 . 18831 1 657 . 1 1 58 58 LEU HD12 H 1 0.853 0.020 . 2 . . . A 56 LEU HD12 . 18831 1 658 . 1 1 58 58 LEU HD13 H 1 0.853 0.020 . 2 . . . A 56 LEU HD13 . 18831 1 659 . 1 1 58 58 LEU HD21 H 1 0.853 0.020 . 2 . . . A 56 LEU HD21 . 18831 1 660 . 1 1 58 58 LEU HD22 H 1 0.853 0.020 . 2 . . . A 56 LEU HD22 . 18831 1 661 . 1 1 58 58 LEU HD23 H 1 0.853 0.020 . 2 . . . A 56 LEU HD23 . 18831 1 662 . 1 1 58 58 LEU C C 13 180.611 0.3 . 1 . . . A 56 LEU C . 18831 1 663 . 1 1 58 58 LEU CA C 13 57.975 0.3 . 1 . . . A 56 LEU CA . 18831 1 664 . 1 1 58 58 LEU CB C 13 39.776 0.3 . 1 . . . A 56 LEU CB . 18831 1 665 . 1 1 58 58 LEU CG C 13 25.824 0.3 . 1 . . . A 56 LEU CG . 18831 1 666 . 1 1 58 58 LEU CD1 C 13 26.196 0.3 . 1 . . . A 56 LEU CD1 . 18831 1 667 . 1 1 58 58 LEU CD2 C 13 22.469 0.3 . 1 . . . A 56 LEU CD2 . 18831 1 668 . 1 1 58 58 LEU N N 15 117.771 0.3 . 1 . . . A 56 LEU N . 18831 1 669 . 1 1 59 59 SER H H 1 8.423 0.020 . 1 . . . A 57 SER H . 18831 1 670 . 1 1 59 59 SER HA H 1 4.323 0.020 . 1 . . . A 57 SER HA . 18831 1 671 . 1 1 59 59 SER HB2 H 1 3.808 0.020 . 2 . . . A 57 SER HB2 . 18831 1 672 . 1 1 59 59 SER HB3 H 1 3.900 0.020 . 2 . . . A 57 SER HB3 . 18831 1 673 . 1 1 59 59 SER C C 13 178.166 0.3 . 1 . . . A 57 SER C . 18831 1 674 . 1 1 59 59 SER CA C 13 60.523 0.3 . 1 . . . A 57 SER CA . 18831 1 675 . 1 1 59 59 SER CB C 13 61.940 0.3 . 1 . . . A 57 SER CB . 18831 1 676 . 1 1 59 59 SER N N 15 113.230 0.3 . 1 . . . A 57 SER N . 18831 1 677 . 1 1 60 60 ASP H H 1 7.945 0.020 . 1 . . . A 58 ASP H . 18831 1 678 . 1 1 60 60 ASP HA H 1 4.342 0.020 . 1 . . . A 58 ASP HA . 18831 1 679 . 1 1 60 60 ASP HB2 H 1 3.053 0.020 . 2 . . . A 58 ASP HB2 . 18831 1 680 . 1 1 60 60 ASP HB3 H 1 2.337 0.020 . 2 . . . A 58 ASP HB3 . 18831 1 681 . 1 1 60 60 ASP C C 13 177.303 0.3 . 1 . . . A 58 ASP C . 18831 1 682 . 1 1 60 60 ASP CA C 13 56.860 0.3 . 1 . . . A 58 ASP CA . 18831 1 683 . 1 1 60 60 ASP CB C 13 39.787 0.3 . 1 . . . A 58 ASP CB . 18831 1 684 . 1 1 60 60 ASP N N 15 124.565 0.3 . 1 . . . A 58 ASP N . 18831 1 685 . 1 1 61 61 TYR H H 1 7.311 0.020 . 1 . . . A 59 TYR H . 18831 1 686 . 1 1 61 61 TYR HA H 1 4.696 0.020 . 1 . . . A 59 TYR HA . 18831 1 687 . 1 1 61 61 TYR HB2 H 1 2.599 0.020 . 2 . . . A 59 TYR HB2 . 18831 1 688 . 1 1 61 61 TYR HB3 H 1 3.511 0.020 . 2 . . . A 59 TYR HB3 . 18831 1 689 . 1 1 61 61 TYR HD1 H 1 7.320 0.020 . 1 . . . A 59 TYR HD1 . 18831 1 690 . 1 1 61 61 TYR HD2 H 1 7.320 0.020 . 1 . . . A 59 TYR HD2 . 18831 1 691 . 1 1 61 61 TYR HE1 H 1 6.940 0.020 . 1 . . . A 59 TYR HE1 . 18831 1 692 . 1 1 61 61 TYR HE2 H 1 6.940 0.020 . 1 . . . A 59 TYR HE2 . 18831 1 693 . 1 1 61 61 TYR C C 13 174.590 0.3 . 1 . . . A 59 TYR C . 18831 1 694 . 1 1 61 61 TYR CA C 13 57.745 0.3 . 1 . . . A 59 TYR CA . 18831 1 695 . 1 1 61 61 TYR CB C 13 39.430 0.3 . 1 . . . A 59 TYR CB . 18831 1 696 . 1 1 61 61 TYR CD1 C 13 132.829 0.3 . 1 . . . A 59 TYR CD1 . 18831 1 697 . 1 1 61 61 TYR CD2 C 13 132.829 0.3 . 1 . . . A 59 TYR CD2 . 18831 1 698 . 1 1 61 61 TYR CE1 C 13 117.810 0.3 . 1 . . . A 59 TYR CE1 . 18831 1 699 . 1 1 61 61 TYR CE2 C 13 117.810 0.3 . 1 . . . A 59 TYR CE2 . 18831 1 700 . 1 1 61 61 TYR N N 15 115.843 0.3 . 1 . . . A 59 TYR N . 18831 1 701 . 1 1 62 62 ASN H H 1 8.161 0.020 . 1 . . . A 60 ASN H . 18831 1 702 . 1 1 62 62 ASN HA H 1 4.407 0.020 . 1 . . . A 60 ASN HA . 18831 1 703 . 1 1 62 62 ASN HB2 H 1 2.860 0.020 . 2 . . . A 60 ASN HB2 . 18831 1 704 . 1 1 62 62 ASN HB3 H 1 3.367 0.020 . 2 . . . A 60 ASN HB3 . 18831 1 705 . 1 1 62 62 ASN C C 13 174.165 0.3 . 1 . . . A 60 ASN C . 18831 1 706 . 1 1 62 62 ASN CA C 13 53.583 0.3 . 1 . . . A 60 ASN CA . 18831 1 707 . 1 1 62 62 ASN CB C 13 36.726 0.3 . 1 . . . A 60 ASN CB . 18831 1 708 . 1 1 62 62 ASN N N 15 115.827 0.3 . 1 . . . A 60 ASN N . 18831 1 709 . 1 1 63 63 ILE H H 1 7.211 0.020 . 1 . . . A 61 ILE H . 18831 1 710 . 1 1 63 63 ILE HA H 1 3.403 0.020 . 1 . . . A 61 ILE HA . 18831 1 711 . 1 1 63 63 ILE HB H 1 1.434 0.020 . 1 . . . A 61 ILE HB . 18831 1 712 . 1 1 63 63 ILE HG12 H 1 -0.346 0.020 . 2 . . . A 61 ILE HG12 . 18831 1 713 . 1 1 63 63 ILE HG13 H 1 1.126 0.020 . 2 . . . A 61 ILE HG13 . 18831 1 714 . 1 1 63 63 ILE HG21 H 1 0.549 0.020 . 1 . . . A 61 ILE HG21 . 18831 1 715 . 1 1 63 63 ILE HG22 H 1 0.549 0.020 . 1 . . . A 61 ILE HG22 . 18831 1 716 . 1 1 63 63 ILE HG23 H 1 0.549 0.020 . 1 . . . A 61 ILE HG23 . 18831 1 717 . 1 1 63 63 ILE HD11 H 1 0.478 0.020 . 1 . . . A 61 ILE HD11 . 18831 1 718 . 1 1 63 63 ILE HD12 H 1 0.478 0.020 . 1 . . . A 61 ILE HD12 . 18831 1 719 . 1 1 63 63 ILE HD13 H 1 0.478 0.020 . 1 . . . A 61 ILE HD13 . 18831 1 720 . 1 1 63 63 ILE C C 13 174.378 0.3 . 1 . . . A 61 ILE C . 18831 1 721 . 1 1 63 63 ILE CA C 13 61.926 0.3 . 1 . . . A 61 ILE CA . 18831 1 722 . 1 1 63 63 ILE CB C 13 36.259 0.3 . 1 . . . A 61 ILE CB . 18831 1 723 . 1 1 63 63 ILE CG1 C 13 27.730 0.3 . 1 . . . A 61 ILE CG1 . 18831 1 724 . 1 1 63 63 ILE CG2 C 13 16.711 0.3 . 1 . . . A 61 ILE CG2 . 18831 1 725 . 1 1 63 63 ILE CD1 C 13 13.910 0.3 . 1 . . . A 61 ILE CD1 . 18831 1 726 . 1 1 63 63 ILE N N 15 118.960 0.3 . 1 . . . A 61 ILE N . 18831 1 727 . 1 1 64 64 GLN H H 1 7.665 0.020 . 1 . . . A 62 GLN H . 18831 1 728 . 1 1 64 64 GLN HA H 1 4.588 0.020 . 1 . . . A 62 GLN HA . 18831 1 729 . 1 1 64 64 GLN HB2 H 1 1.942 0.020 . 2 . . . A 62 GLN HB2 . 18831 1 730 . 1 1 64 64 GLN HB3 H 1 2.296 0.020 . 2 . . . A 62 GLN HB3 . 18831 1 731 . 1 1 64 64 GLN HG2 H 1 2.357 0.020 . 2 . . . A 62 GLN HG2 . 18831 1 732 . 1 1 64 64 GLN HG3 H 1 2.418 0.020 . 2 . . . A 62 GLN HG3 . 18831 1 733 . 1 1 64 64 GLN C C 13 175.611 0.3 . 1 . . . A 62 GLN C . 18831 1 734 . 1 1 64 64 GLN CA C 13 53.110 0.3 . 1 . . . A 62 GLN CA . 18831 1 735 . 1 1 64 64 GLN CB C 13 31.093 0.3 . 1 . . . A 62 GLN CB . 18831 1 736 . 1 1 64 64 GLN CG C 13 32.742 0.3 . 1 . . . A 62 GLN CG . 18831 1 737 . 1 1 64 64 GLN N N 15 124.901 0.3 . 1 . . . A 62 GLN N . 18831 1 738 . 1 1 65 65 LYS H H 1 8.473 0.020 . 1 . . . A 63 LYS H . 18831 1 739 . 1 1 65 65 LYS HA H 1 4.034 0.020 . 1 . . . A 63 LYS HA . 18831 1 740 . 1 1 65 65 LYS HB2 H 1 1.950 0.020 . 2 . . . A 63 LYS HB2 . 18831 1 741 . 1 1 65 65 LYS HB3 H 1 2.110 0.020 . 2 . . . A 63 LYS HB3 . 18831 1 742 . 1 1 65 65 LYS HG2 H 1 1.580 0.020 . 1 . . . A 63 LYS HG2 . 18831 1 743 . 1 1 65 65 LYS HG3 H 1 1.580 0.020 . 1 . . . A 63 LYS HG3 . 18831 1 744 . 1 1 65 65 LYS HD2 H 1 1.930 0.020 . 1 . . . A 63 LYS HD2 . 18831 1 745 . 1 1 65 65 LYS HD3 H 1 1.930 0.020 . 1 . . . A 63 LYS HD3 . 18831 1 746 . 1 1 65 65 LYS HE2 H 1 3.095 0.020 . 1 . . . A 63 LYS HE2 . 18831 1 747 . 1 1 65 65 LYS HE3 H 1 3.095 0.020 . 1 . . . A 63 LYS HE3 . 18831 1 748 . 1 1 65 65 LYS C C 13 175.880 0.3 . 1 . . . A 63 LYS C . 18831 1 749 . 1 1 65 65 LYS CA C 13 57.460 0.3 . 1 . . . A 63 LYS CA . 18831 1 750 . 1 1 65 65 LYS CB C 13 31.860 0.3 . 1 . . . A 63 LYS CB . 18831 1 751 . 1 1 65 65 LYS CG C 13 23.676 0.3 . 1 . . . A 63 LYS CG . 18831 1 752 . 1 1 65 65 LYS CD C 13 29.163 0.3 . 1 . . . A 63 LYS CD . 18831 1 753 . 1 1 65 65 LYS CE C 13 41.546 0.3 . 1 . . . A 63 LYS CE . 18831 1 754 . 1 1 65 65 LYS N N 15 120.318 0.3 . 1 . . . A 63 LYS N . 18831 1 755 . 1 1 66 66 GLU H H 1 9.299 0.020 . 1 . . . A 64 GLU H . 18831 1 756 . 1 1 66 66 GLU HA H 1 3.426 0.020 . 1 . . . A 64 GLU HA . 18831 1 757 . 1 1 66 66 GLU HB2 H 1 2.467 0.020 . 2 . . . A 64 GLU HB2 . 18831 1 758 . 1 1 66 66 GLU HB3 H 1 2.588 0.020 . 2 . . . A 64 GLU HB3 . 18831 1 759 . 1 1 66 66 GLU HG2 H 1 2.286 0.020 . 1 . . . A 64 GLU HG2 . 18831 1 760 . 1 1 66 66 GLU HG3 H 1 2.286 0.020 . 1 . . . A 64 GLU HG3 . 18831 1 761 . 1 1 66 66 GLU C C 13 175.202 0.3 . 1 . . . A 64 GLU C . 18831 1 762 . 1 1 66 66 GLU CA C 13 57.814 0.3 . 1 . . . A 64 GLU CA . 18831 1 763 . 1 1 66 66 GLU CB C 13 25.451 0.3 . 1 . . . A 64 GLU CB . 18831 1 764 . 1 1 66 66 GLU CG C 13 36.902 0.3 . 1 . . . A 64 GLU CG . 18831 1 765 . 1 1 66 66 GLU N N 15 114.842 0.3 . 1 . . . A 64 GLU N . 18831 1 766 . 1 1 67 67 SER H H 1 7.778 0.020 . 1 . . . A 65 SER H . 18831 1 767 . 1 1 67 67 SER HA H 1 4.712 0.020 . 1 . . . A 65 SER HA . 18831 1 768 . 1 1 67 67 SER HB2 H 1 3.749 0.020 . 2 . . . A 65 SER HB2 . 18831 1 769 . 1 1 67 67 SER HB3 H 1 4.000 0.020 . 2 . . . A 65 SER HB3 . 18831 1 770 . 1 1 67 67 SER C C 13 171.974 0.3 . 1 . . . A 65 SER C . 18831 1 771 . 1 1 67 67 SER CA C 13 60.390 0.3 . 1 . . . A 65 SER CA . 18831 1 772 . 1 1 67 67 SER CB C 13 64.259 0.3 . 1 . . . A 65 SER CB . 18831 1 773 . 1 1 67 67 SER N N 15 115.119 0.3 . 1 . . . A 65 SER N . 18831 1 774 . 1 1 68 68 THR H H 1 8.764 0.020 . 1 . . . A 66 THR H . 18831 1 775 . 1 1 68 68 THR HA H 1 5.342 0.020 . 1 . . . A 66 THR HA . 18831 1 776 . 1 1 68 68 THR HB H 1 4.122 0.020 . 1 . . . A 66 THR HB . 18831 1 777 . 1 1 68 68 THR HG21 H 1 0.973 0.020 . 1 . . . A 66 THR HG21 . 18831 1 778 . 1 1 68 68 THR HG22 H 1 0.973 0.020 . 1 . . . A 66 THR HG22 . 18831 1 779 . 1 1 68 68 THR HG23 H 1 0.973 0.020 . 1 . . . A 66 THR HG23 . 18831 1 780 . 1 1 68 68 THR C C 13 173.567 0.3 . 1 . . . A 66 THR C . 18831 1 781 . 1 1 68 68 THR CA C 13 61.850 0.3 . 1 . . . A 66 THR CA . 18831 1 782 . 1 1 68 68 THR CB C 13 69.772 0.3 . 1 . . . A 66 THR CB . 18831 1 783 . 1 1 68 68 THR CG2 C 13 20.932 0.3 . 1 . . . A 66 THR CG2 . 18831 1 784 . 1 1 68 68 THR N N 15 117.698 0.3 . 1 . . . A 66 THR N . 18831 1 785 . 1 1 69 69 LEU H H 1 9.400 0.020 . 1 . . . A 67 LEU H . 18831 1 786 . 1 1 69 69 LEU HA H 1 5.142 0.020 . 1 . . . A 67 LEU HA . 18831 1 787 . 1 1 69 69 LEU HB2 H 1 1.647 0.020 . 2 . . . A 67 LEU HB2 . 18831 1 788 . 1 1 69 69 LEU HB3 H 1 1.695 0.020 . 2 . . . A 67 LEU HB3 . 18831 1 789 . 1 1 69 69 LEU HG H 1 1.800 0.020 . 1 . . . A 67 LEU HG . 18831 1 790 . 1 1 69 69 LEU HD11 H 1 0.743 0.020 . 1 . . . A 67 LEU HD11 . 18831 1 791 . 1 1 69 69 LEU HD12 H 1 0.743 0.020 . 1 . . . A 67 LEU HD12 . 18831 1 792 . 1 1 69 69 LEU HD13 H 1 0.743 0.020 . 1 . . . A 67 LEU HD13 . 18831 1 793 . 1 1 69 69 LEU C C 13 175.119 0.3 . 1 . . . A 67 LEU C . 18831 1 794 . 1 1 69 69 LEU CA C 13 53.220 0.3 . 1 . . . A 67 LEU CA . 18831 1 795 . 1 1 69 69 LEU CB C 13 43.799 0.3 . 1 . . . A 67 LEU CB . 18831 1 796 . 1 1 69 69 LEU CG C 13 28.530 0.3 . 1 . . . A 67 LEU CG . 18831 1 797 . 1 1 69 69 LEU CD1 C 13 24.540 0.3 . 1 . . . A 67 LEU CD1 . 18831 1 798 . 1 1 69 69 LEU N N 15 127.655 0.3 . 1 . . . A 67 LEU N . 18831 1 799 . 1 1 70 70 HIS H H 1 9.128 0.020 . 1 . . . A 68 HIS H . 18831 1 800 . 1 1 70 70 HIS HA H 1 5.423 0.020 . 1 . . . A 68 HIS HA . 18831 1 801 . 1 1 70 70 HIS HB2 H 1 3.121 0.020 . 2 . . . A 68 HIS HB2 . 18831 1 802 . 1 1 70 70 HIS HB3 H 1 2.948 0.020 . 2 . . . A 68 HIS HB3 . 18831 1 803 . 1 1 70 70 HIS HD2 H 1 6.970 0.020 . 1 . . . A 68 HIS HD2 . 18831 1 804 . 1 1 70 70 HIS HE1 H 1 7.721 0.020 . 1 . . . A 68 HIS HE1 . 18831 1 805 . 1 1 70 70 HIS C C 13 174.246 0.3 . 1 . . . A 68 HIS C . 18831 1 806 . 1 1 70 70 HIS CA C 13 55.082 0.3 . 1 . . . A 68 HIS CA . 18831 1 807 . 1 1 70 70 HIS CB C 13 32.310 0.3 . 1 . . . A 68 HIS CB . 18831 1 808 . 1 1 70 70 HIS CD2 C 13 118.985 0.3 . 1 . . . A 68 HIS CD2 . 18831 1 809 . 1 1 70 70 HIS CE1 C 13 137.510 0.3 . 1 . . . A 68 HIS CE1 . 18831 1 810 . 1 1 70 70 HIS N N 15 120.510 0.3 . 1 . . . A 68 HIS N . 18831 1 811 . 1 1 71 71 ILE H H 1 8.369 0.020 . 1 . . . A 69 ILE H . 18831 1 812 . 1 1 71 71 ILE HA H 1 5.173 0.020 . 1 . . . A 69 ILE HA . 18831 1 813 . 1 1 71 71 ILE HB H 1 1.580 0.020 . 1 . . . A 69 ILE HB . 18831 1 814 . 1 1 71 71 ILE HG12 H 1 0.916 0.020 . 2 . . . A 69 ILE HG12 . 18831 1 815 . 1 1 71 71 ILE HG13 H 1 0.900 0.020 . 2 . . . A 69 ILE HG13 . 18831 1 816 . 1 1 71 71 ILE HG21 H 1 0.842 0.020 . 1 . . . A 69 ILE HG21 . 18831 1 817 . 1 1 71 71 ILE HG22 H 1 0.842 0.020 . 1 . . . A 69 ILE HG22 . 18831 1 818 . 1 1 71 71 ILE HG23 H 1 0.842 0.020 . 1 . . . A 69 ILE HG23 . 18831 1 819 . 1 1 71 71 ILE HD11 H 1 0.767 0.020 . 1 . . . A 69 ILE HD11 . 18831 1 820 . 1 1 71 71 ILE HD12 H 1 0.767 0.020 . 1 . . . A 69 ILE HD12 . 18831 1 821 . 1 1 71 71 ILE HD13 H 1 0.767 0.020 . 1 . . . A 69 ILE HD13 . 18831 1 822 . 1 1 71 71 ILE C C 13 174.800 0.3 . 1 . . . A 69 ILE C . 18831 1 823 . 1 1 71 71 ILE CA C 13 58.474 0.3 . 1 . . . A 69 ILE CA . 18831 1 824 . 1 1 71 71 ILE CB C 13 40.092 0.3 . 1 . . . A 69 ILE CB . 18831 1 825 . 1 1 71 71 ILE CG1 C 13 27.430 0.3 . 1 . . . A 69 ILE CG1 . 18831 1 826 . 1 1 71 71 ILE CG2 C 13 16.156 0.3 . 1 . . . A 69 ILE CG2 . 18831 1 827 . 1 1 71 71 ILE CD1 C 13 14.074 0.3 . 1 . . . A 69 ILE CD1 . 18831 1 828 . 1 1 71 71 ILE N N 15 120.349 0.3 . 1 . . . A 69 ILE N . 18831 1 829 . 1 1 72 72 VAL H H 1 8.944 0.020 . 1 . . . A 70 VAL H . 18831 1 830 . 1 1 72 72 VAL HA H 1 4.367 0.020 . 1 . . . A 70 VAL HA . 18831 1 831 . 1 1 72 72 VAL HB H 1 2.073 0.020 . 1 . . . A 70 VAL HB . 18831 1 832 . 1 1 72 72 VAL HG11 H 1 1.015 0.020 . 2 . . . A 70 VAL HG11 . 18831 1 833 . 1 1 72 72 VAL HG12 H 1 1.015 0.020 . 2 . . . A 70 VAL HG12 . 18831 1 834 . 1 1 72 72 VAL HG13 H 1 1.015 0.020 . 2 . . . A 70 VAL HG13 . 18831 1 835 . 1 1 72 72 VAL HG21 H 1 0.937 0.020 . 2 . . . A 70 VAL HG21 . 18831 1 836 . 1 1 72 72 VAL HG22 H 1 0.937 0.020 . 2 . . . A 70 VAL HG22 . 18831 1 837 . 1 1 72 72 VAL HG23 H 1 0.937 0.020 . 2 . . . A 70 VAL HG23 . 18831 1 838 . 1 1 72 72 VAL C C 13 174.467 0.3 . 1 . . . A 70 VAL C . 18831 1 839 . 1 1 72 72 VAL CA C 13 60.299 0.3 . 1 . . . A 70 VAL CA . 18831 1 840 . 1 1 72 72 VAL CB C 13 33.550 0.3 . 1 . . . A 70 VAL CB . 18831 1 841 . 1 1 72 72 VAL CG1 C 13 20.886 0.3 . 1 . . . A 70 VAL CG1 . 18831 1 842 . 1 1 72 72 VAL CG2 C 13 20.389 0.3 . 1 . . . A 70 VAL CG2 . 18831 1 843 . 1 1 72 72 VAL N N 15 126.551 0.3 . 1 . . . A 70 VAL N . 18831 1 844 . 1 1 73 73 TRP H H 1 8.425 0.020 . 1 . . . A 71 TRP H . 18831 1 845 . 1 1 73 73 TRP HA H 1 5.108 0.020 . 1 . . . A 71 TRP HA . 18831 1 846 . 1 1 73 73 TRP HB2 H 1 3.219 0.020 . 2 . . . A 71 TRP HB2 . 18831 1 847 . 1 1 73 73 TRP HB3 H 1 3.308 0.020 . 2 . . . A 71 TRP HB3 . 18831 1 848 . 1 1 73 73 TRP HD1 H 1 7.370 0.020 . 1 . . . A 71 TRP HD1 . 18831 1 849 . 1 1 73 73 TRP HE1 H 1 10.370 0.020 . 1 . . . A 71 TRP HE1 . 18831 1 850 . 1 1 73 73 TRP HE3 H 1 7.620 0.020 . 1 . . . A 71 TRP HE3 . 18831 1 851 . 1 1 73 73 TRP HZ2 H 1 7.518 0.020 . 1 . . . A 71 TRP HZ2 . 18831 1 852 . 1 1 73 73 TRP HZ3 H 1 7.144 0.020 . 1 . . . A 71 TRP HZ3 . 18831 1 853 . 1 1 73 73 TRP HH2 H 1 7.247 0.020 . 1 . . . A 71 TRP HH2 . 18831 1 854 . 1 1 73 73 TRP C C 13 175.797 0.3 . 1 . . . A 71 TRP C . 18831 1 855 . 1 1 73 73 TRP CA C 13 55.745 0.3 . 1 . . . A 71 TRP CA . 18831 1 856 . 1 1 73 73 TRP CB C 13 30.099 0.3 . 1 . . . A 71 TRP CB . 18831 1 857 . 1 1 73 73 TRP CD1 C 13 125.750 0.3 . 1 . . . A 71 TRP CD1 . 18831 1 858 . 1 1 73 73 TRP CE3 C 13 120.050 0.3 . 1 . . . A 71 TRP CE3 . 18831 1 859 . 1 1 73 73 TRP CZ2 C 13 113.950 0.3 . 1 . . . A 71 TRP CZ2 . 18831 1 860 . 1 1 73 73 TRP CZ3 C 13 121.160 0.3 . 1 . . . A 71 TRP CZ3 . 18831 1 861 . 1 1 73 73 TRP CH2 C 13 123.940 0.3 . 1 . . . A 71 TRP CH2 . 18831 1 862 . 1 1 73 73 TRP N N 15 125.438 0.3 . 1 . . . A 71 TRP N . 18831 1 863 . 1 1 73 73 TRP NE1 N 15 129.270 0.3 . 1 . . . A 71 TRP NE1 . 18831 1 864 . 1 1 74 74 ARG H H 1 8.261 0.020 . 1 . . . A 72 ARG H . 18831 1 865 . 1 1 74 74 ARG HA H 1 4.283 0.020 . 1 . . . A 72 ARG HA . 18831 1 866 . 1 1 74 74 ARG HB2 H 1 1.589 0.020 . 1 . . . A 72 ARG HB2 . 18831 1 867 . 1 1 74 74 ARG HB3 H 1 1.589 0.020 . 1 . . . A 72 ARG HB3 . 18831 1 868 . 1 1 74 74 ARG HG2 H 1 1.534 0.020 . 1 . . . A 72 ARG HG2 . 18831 1 869 . 1 1 74 74 ARG HG3 H 1 1.534 0.020 . 1 . . . A 72 ARG HG3 . 18831 1 870 . 1 1 74 74 ARG HD2 H 1 3.110 0.020 . 1 . . . A 72 ARG HD2 . 18831 1 871 . 1 1 74 74 ARG HD3 H 1 3.110 0.020 . 1 . . . A 72 ARG HD3 . 18831 1 872 . 1 1 74 74 ARG C C 13 174.661 0.3 . 1 . . . A 72 ARG C . 18831 1 873 . 1 1 74 74 ARG CA C 13 55.057 0.3 . 1 . . . A 72 ARG CA . 18831 1 874 . 1 1 74 74 ARG CB C 13 30.560 0.3 . 1 . . . A 72 ARG CB . 18831 1 875 . 1 1 74 74 ARG N N 15 125.700 0.3 . 1 . . . A 72 ARG N . 18831 1 876 . 1 1 75 75 LEU H H 1 7.901 0.020 . 1 . . . A 73 LEU H . 18831 1 877 . 1 1 75 75 LEU HA H 1 4.220 0.020 . 1 . . . A 73 LEU HA . 18831 1 878 . 1 1 75 75 LEU HB2 H 1 1.433 0.020 . 2 . . . A 73 LEU HB2 . 18831 1 879 . 1 1 75 75 LEU HB3 H 1 1.487 0.020 . 2 . . . A 73 LEU HB3 . 18831 1 880 . 1 1 75 75 LEU HG H 1 1.530 0.020 . 1 . . . A 73 LEU HG . 18831 1 881 . 1 1 75 75 LEU HD11 H 1 0.866 0.020 . 1 . . . A 73 LEU HD11 . 18831 1 882 . 1 1 75 75 LEU HD12 H 1 0.866 0.020 . 1 . . . A 73 LEU HD12 . 18831 1 883 . 1 1 75 75 LEU HD13 H 1 0.866 0.020 . 1 . . . A 73 LEU HD13 . 18831 1 884 . 1 1 75 75 LEU HD21 H 1 0.866 0.020 . 1 . . . A 73 LEU HD21 . 18831 1 885 . 1 1 75 75 LEU HD22 H 1 0.866 0.020 . 1 . . . A 73 LEU HD22 . 18831 1 886 . 1 1 75 75 LEU HD23 H 1 0.866 0.020 . 1 . . . A 73 LEU HD23 . 18831 1 887 . 1 1 75 75 LEU C C 13 177.072 0.3 . 1 . . . A 73 LEU C . 18831 1 888 . 1 1 75 75 LEU CA C 13 54.630 0.3 . 1 . . . A 73 LEU CA . 18831 1 889 . 1 1 75 75 LEU CB C 13 41.642 0.3 . 1 . . . A 73 LEU CB . 18831 1 890 . 1 1 75 75 LEU CG C 13 26.420 0.3 . 1 . . . A 73 LEU CG . 18831 1 891 . 1 1 75 75 LEU CD1 C 13 22.972 0.3 . 1 . . . A 73 LEU CD1 . 18831 1 892 . 1 1 75 75 LEU CD2 C 13 24.168 0.3 . 1 . . . A 73 LEU CD2 . 18831 1 893 . 1 1 75 75 LEU N N 15 123.370 0.3 . 1 . . . A 73 LEU N . 18831 1 894 . 1 1 76 76 ARG H H 1 8.211 0.020 . 1 . . . A 74 ARG H . 18831 1 895 . 1 1 76 76 ARG HA H 1 4.287 0.020 . 1 . . . A 74 ARG HA . 18831 1 896 . 1 1 76 76 ARG HB2 H 1 1.831 0.020 . 2 . . . A 74 ARG HB2 . 18831 1 897 . 1 1 76 76 ARG HB3 H 1 1.902 0.020 . 2 . . . A 74 ARG HB3 . 18831 1 898 . 1 1 76 76 ARG HG2 H 1 1.668 0.020 . 1 . . . A 74 ARG HG2 . 18831 1 899 . 1 1 76 76 ARG HG3 H 1 1.668 0.020 . 1 . . . A 74 ARG HG3 . 18831 1 900 . 1 1 76 76 ARG HD2 H 1 3.259 0.020 . 1 . . . A 74 ARG HD2 . 18831 1 901 . 1 1 76 76 ARG HD3 H 1 3.259 0.020 . 1 . . . A 74 ARG HD3 . 18831 1 902 . 1 1 76 76 ARG C C 13 176.609 0.3 . 1 . . . A 74 ARG C . 18831 1 903 . 1 1 76 76 ARG CA C 13 55.770 0.3 . 1 . . . A 74 ARG CA . 18831 1 904 . 1 1 76 76 ARG CB C 13 29.900 0.3 . 1 . . . A 74 ARG CB . 18831 1 905 . 1 1 76 76 ARG N N 15 121.200 0.3 . 1 . . . A 74 ARG N . 18831 1 906 . 1 1 77 77 GLY H H 1 8.434 0.020 . 1 . . . A 75 GLY H . 18831 1 907 . 1 1 77 77 GLY HA2 H 1 4.001 0.020 . 2 . . . A 75 GLY HA2 . 18831 1 908 . 1 1 77 77 GLY HA3 H 1 4.014 0.020 . 2 . . . A 75 GLY HA3 . 18831 1 909 . 1 1 77 77 GLY C C 13 173.520 0.3 . 1 . . . A 75 GLY C . 18831 1 910 . 1 1 77 77 GLY CA C 13 44.581 0.3 . 1 . . . A 75 GLY CA . 18831 1 911 . 1 1 77 77 GLY N N 15 110.833 0.3 . 1 . . . A 75 GLY N . 18831 1 912 . 1 1 78 78 GLY H H 1 7.966 0.020 . 1 . . . A 76 GLY H . 18831 1 913 . 1 1 78 78 GLY HA2 H 1 3.789 0.020 . 2 . . . A 76 GLY HA2 . 18831 1 914 . 1 1 78 78 GLY HA3 H 1 3.837 0.020 . 2 . . . A 76 GLY HA3 . 18831 1 915 . 1 1 78 78 GLY CA C 13 45.438 0.3 . 1 . . . A 76 GLY CA . 18831 1 916 . 1 1 78 78 GLY N N 15 115.132 0.3 . 1 . . . A 76 GLY N . 18831 1 stop_ save_