data_15180 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15180 _Entry.Title ; Intrinsically unstructured proteins provide the specificity for protein phosphatase 1 regulation. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-16 _Entry.Accession_date 2007-03-16 _Entry.Last_release_date 2007-10-26 _Entry.Original_release_date 2007-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignment of backbone and sidechain atoms of the Spinophilin PP1 binding domain (residues 417 - 494).' _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 Barbara Dancheck . . . 15180 2 Wolfgang Peti . . . 15180 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15180 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 15180 '15N chemical shifts' 68 15180 '1H chemical shifts' 388 15180 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-10-26 2007-03-16 original author . 15180 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6927 'Spinophilin PDZ domain (493-602)' 15180 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15180 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17279777 _Citation.Full_citation . _Citation.Title 'Structural basis for spinophilin-neurabin receptor interaction' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 9 _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 2333 _Citation.Page_last 2344 _Citation.Year 2007 _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 Matthew Kelker . S. . 15180 1 2 Barbara Dancheck . . . 15180 1 3 Tingting Ju . . . 15180 1 4 Rene Kessler . P. . 15180 1 5 Jebecka Hudak . . . 15180 1 6 Angus Nairn . C. . 15180 1 7 Wolfgang Peti . . . 15180 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'intrinsically unstructured' 15180 1 PP1 15180 1 signaling 15180 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15180 _Assembly.ID 1 _Assembly.Name 'Spinophilin PP1 binding domain' _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 9231 _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 'Spinophilin PP1 binding domain' 1 $Spinophilin_PP1_binding_domain A . yes native no no . . . 15180 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spinophilin_PP1_binding_domain _Entity.Sf_category entity _Entity.Sf_framecode Spinophilin_PP1_binding_domain _Entity.Entry_ID 15180 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spinophilin_PP1_binding_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMDEEDGEPPYEPESGCVE IPGLSEEEDPAPSRKIHFST APIQVFSTYSNEDYDRRNED VDPMAASAEYELEKRVERLE L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1 - 3 (G H M) are cloning artifacts. Residues 4 - 81 are spinophilin PP1 binding domain residues 417 - 494.' _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9231 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3EGG . "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Spinophilin" . . . . . 100.00 170 100.00 100.00 3.01e-50 . . . . 15180 1 2 no PDB 3EGH . "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (pp1), The Pp1 Binding And Pdz Domains Of Spinophilin And Th" . . . . . 100.00 170 98.77 98.77 5.68e-49 . . . . 15180 1 3 no EMBL CAC37685 . "neurabin II protein [Homo sapiens]" . . . . . 96.30 817 100.00 100.00 1.87e-43 . . . . 15180 1 4 no EMBL CAD28455 . "hypothetical protein [Homo sapiens]" . . . . . 96.30 420 100.00 100.00 1.20e-45 . . . . 15180 1 5 no GB AAB72005 . "Spinophilin [Rattus norvegicus]" . . . . . 96.30 817 100.00 100.00 1.25e-43 . . . . 15180 1 6 no GB AAC05183 . "neurabin II [Rattus norvegicus]" . . . . . 96.30 817 100.00 100.00 1.25e-43 . . . . 15180 1 7 no GB AAI60878 . "Protein phosphatase 1, regulatory subunit 9B [Rattus norvegicus]" . . . . . 96.30 817 100.00 100.00 1.25e-43 . . . . 15180 1 8 no GB AAR91608 . "spinophilin [Mus musculus]" . . . . . 96.30 817 100.00 100.00 1.64e-43 . . . . 15180 1 9 no GB EAW94636 . "protein phosphatase 1, regulatory subunit 9B, spinophilin, isoform CRA_a [Homo sapiens]" . . . . . 96.30 577 100.00 100.00 5.46e-44 . . . . 15180 1 10 no REF NP_115984 . "neurabin-2 [Homo sapiens]" . . . . . 96.30 817 100.00 100.00 1.77e-43 . . . . 15180 1 11 no REF NP_445926 . "neurabin-2 [Rattus norvegicus]" . . . . . 96.30 817 100.00 100.00 1.25e-43 . . . . 15180 1 12 no REF NP_758465 . "neurabin-2 [Mus musculus]" . . . . . 96.30 817 100.00 100.00 1.64e-43 . . . . 15180 1 13 no REF XP_003131641 . "PREDICTED: neurabin-2 [Sus scrofa]" . . . . . 96.30 818 97.44 100.00 2.05e-42 . . . . 15180 1 14 no REF XP_003466916 . "PREDICTED: LOW QUALITY PROTEIN: neurabin-2 [Cavia porcellus]" . . . . . 96.30 824 100.00 100.00 2.79e-43 . . . . 15180 1 15 no SP O35274 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Neural tissue-specific F-actin-binding protein II; AltName: " . . . . . 96.30 817 100.00 100.00 1.25e-43 . . . . 15180 1 16 no SP Q6R891 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" . . . . . 96.30 817 100.00 100.00 1.64e-43 . . . . 15180 1 17 no SP Q96SB3 . "RecName: Full=Neurabin-2; AltName: Full=Neurabin-II; AltName: Full=Protein phosphatase 1 regulatory subunit 9B; AltName: Full=S" . . . . . 96.30 815 100.00 100.00 1.68e-43 . . . . 15180 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'PP1 binding domain of PP1 targeting protein' 15180 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 . GLY . 15180 1 2 . HIS . 15180 1 3 . MET . 15180 1 4 . ASP . 15180 1 5 . GLU . 15180 1 6 . GLU . 15180 1 7 . ASP . 15180 1 8 . GLY . 15180 1 9 . GLU . 15180 1 10 . PRO . 15180 1 11 . PRO . 15180 1 12 . TYR . 15180 1 13 . GLU . 15180 1 14 . PRO . 15180 1 15 . GLU . 15180 1 16 . SER . 15180 1 17 . GLY . 15180 1 18 . CYS . 15180 1 19 . VAL . 15180 1 20 . GLU . 15180 1 21 . ILE . 15180 1 22 . PRO . 15180 1 23 . GLY . 15180 1 24 . LEU . 15180 1 25 . SER . 15180 1 26 . GLU . 15180 1 27 . GLU . 15180 1 28 . GLU . 15180 1 29 . ASP . 15180 1 30 . PRO . 15180 1 31 . ALA . 15180 1 32 . PRO . 15180 1 33 . SER . 15180 1 34 . ARG . 15180 1 35 . LYS . 15180 1 36 . ILE . 15180 1 37 . HIS . 15180 1 38 . PHE . 15180 1 39 . SER . 15180 1 40 . THR . 15180 1 41 . ALA . 15180 1 42 . PRO . 15180 1 43 . ILE . 15180 1 44 . GLN . 15180 1 45 . VAL . 15180 1 46 . PHE . 15180 1 47 . SER . 15180 1 48 . THR . 15180 1 49 . TYR . 15180 1 50 . SER . 15180 1 51 . ASN . 15180 1 52 . GLU . 15180 1 53 . ASP . 15180 1 54 . TYR . 15180 1 55 . ASP . 15180 1 56 . ARG . 15180 1 57 . ARG . 15180 1 58 . ASN . 15180 1 59 . GLU . 15180 1 60 . ASP . 15180 1 61 . VAL . 15180 1 62 . ASP . 15180 1 63 . PRO . 15180 1 64 . MET . 15180 1 65 . ALA . 15180 1 66 . ALA . 15180 1 67 . SER . 15180 1 68 . ALA . 15180 1 69 . GLU . 15180 1 70 . TYR . 15180 1 71 . GLU . 15180 1 72 . LEU . 15180 1 73 . GLU . 15180 1 74 . LYS . 15180 1 75 . ARG . 15180 1 76 . VAL . 15180 1 77 . GLU . 15180 1 78 . ARG . 15180 1 79 . LEU . 15180 1 80 . GLU . 15180 1 81 . LEU . 15180 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 15180 1 . HIS 2 2 15180 1 . MET 3 3 15180 1 . ASP 4 4 15180 1 . GLU 5 5 15180 1 . GLU 6 6 15180 1 . ASP 7 7 15180 1 . GLY 8 8 15180 1 . GLU 9 9 15180 1 . PRO 10 10 15180 1 . PRO 11 11 15180 1 . TYR 12 12 15180 1 . GLU 13 13 15180 1 . PRO 14 14 15180 1 . GLU 15 15 15180 1 . SER 16 16 15180 1 . GLY 17 17 15180 1 . CYS 18 18 15180 1 . VAL 19 19 15180 1 . GLU 20 20 15180 1 . ILE 21 21 15180 1 . PRO 22 22 15180 1 . GLY 23 23 15180 1 . LEU 24 24 15180 1 . SER 25 25 15180 1 . GLU 26 26 15180 1 . GLU 27 27 15180 1 . GLU 28 28 15180 1 . ASP 29 29 15180 1 . PRO 30 30 15180 1 . ALA 31 31 15180 1 . PRO 32 32 15180 1 . SER 33 33 15180 1 . ARG 34 34 15180 1 . LYS 35 35 15180 1 . ILE 36 36 15180 1 . HIS 37 37 15180 1 . PHE 38 38 15180 1 . SER 39 39 15180 1 . THR 40 40 15180 1 . ALA 41 41 15180 1 . PRO 42 42 15180 1 . ILE 43 43 15180 1 . GLN 44 44 15180 1 . VAL 45 45 15180 1 . PHE 46 46 15180 1 . SER 47 47 15180 1 . THR 48 48 15180 1 . TYR 49 49 15180 1 . SER 50 50 15180 1 . ASN 51 51 15180 1 . GLU 52 52 15180 1 . ASP 53 53 15180 1 . TYR 54 54 15180 1 . ASP 55 55 15180 1 . ARG 56 56 15180 1 . ARG 57 57 15180 1 . ASN 58 58 15180 1 . GLU 59 59 15180 1 . ASP 60 60 15180 1 . VAL 61 61 15180 1 . ASP 62 62 15180 1 . PRO 63 63 15180 1 . MET 64 64 15180 1 . ALA 65 65 15180 1 . ALA 66 66 15180 1 . SER 67 67 15180 1 . ALA 68 68 15180 1 . GLU 69 69 15180 1 . TYR 70 70 15180 1 . GLU 71 71 15180 1 . LEU 72 72 15180 1 . GLU 73 73 15180 1 . LYS 74 74 15180 1 . ARG 75 75 15180 1 . VAL 76 76 15180 1 . GLU 77 77 15180 1 . ARG 78 78 15180 1 . LEU 79 79 15180 1 . GLU 80 80 15180 1 . LEU 81 81 15180 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 15180 _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 $Spinophilin_PP1_binding_domain . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15180 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 15180 _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 $Spinophilin_PP1_binding_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3 RIL' . . . . . . . . . . . . . . . pGEX-TEV . . . . . . 15180 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15180 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Spinophilin PP1 binding domain' '[U-99% 15N]' . . 1 $Spinophilin_PP1_binding_domain . . 500 . . uM . . . . 15180 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15180 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15180 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15180 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15180 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Spinophilin PP1 binding domain' '[U-99% 13C; U-99% 15N]' . . 1 $Spinophilin_PP1_binding_domain . . 670 . . uM . . . . 15180 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15180 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15180 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15180 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 15180 _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' 70 . mM 15180 1 pH 6.5 . pH 15180 1 pressure 1 . atm 15180 1 temperature 298 . K 15180 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15180 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15180 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15180 1 processing 15180 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15180 _Software.ID 2 _Software.Name XEASY _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15180 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15180 2 'data analysis' 15180 2 'peak picking' 15180 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15180 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15180 _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 . 500 . . . 15180 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 15180 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 1 9 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15180 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 15180 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15180 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15180 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15180 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 15180 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.23 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15180 1 2 '3D CBCA(CO)NH' . . . 15180 1 6 '3D HBHA(CO)NH' . . . 15180 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 15180 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 HIS HA H 1 4.537 0 . . . . . . 2 HIS HA . 15180 1 2 . 1 1 2 2 HIS HB2 H 1 3.058 0 . . . . . . 2 HIS HB2 . 15180 1 3 . 1 1 2 2 HIS C C 13 175.112 0 . . . . . . 2 HIS C . 15180 1 4 . 1 1 2 2 HIS CA C 13 56.384 0 . . . . . . 2 HIS CA . 15180 1 5 . 1 1 2 2 HIS CB C 13 29.745 0 . . . . . . 2 HIS CB . 15180 1 6 . 1 1 3 3 MET H H 1 8.53 0 . . . . . . 3 MET H . 15180 1 7 . 1 1 3 3 MET HA H 1 4.185 0 . . . . . . 3 MET HA . 15180 1 8 . 1 1 3 3 MET HB2 H 1 1.913 0 . . . . . . 3 MET HB2 . 15180 1 9 . 1 1 3 3 MET HB3 H 1 1.814 0 . . . . . . 3 MET HB3 . 15180 1 10 . 1 1 3 3 MET HG2 H 1 2.187 0 . . . . . . 3 MET HG2 . 15180 1 11 . 1 1 3 3 MET C C 13 175.774 0 . . . . . . 3 MET C . 15180 1 12 . 1 1 3 3 MET CA C 13 55.629 0 . . . . . . 3 MET CA . 15180 1 13 . 1 1 3 3 MET CB C 13 32.171 0 . . . . . . 3 MET CB . 15180 1 14 . 1 1 3 3 MET N N 15 121.531 0 . . . . . . 3 MET N . 15180 1 15 . 1 1 4 4 ASP HA H 1 4.463 0 . . . . . . 4 ASP HA . 15180 1 16 . 1 1 4 4 ASP HB2 H 1 2.618 0 . . . . . . 4 ASP HB2 . 15180 1 17 . 1 1 4 4 ASP HB3 H 1 2.546 0 . . . . . . 4 ASP HB3 . 15180 1 18 . 1 1 4 4 ASP C C 13 176.201 0 . . . . . . 4 ASP C . 15180 1 19 . 1 1 4 4 ASP CA C 13 54.658 0 . . . . . . 4 ASP CA . 15180 1 20 . 1 1 4 4 ASP CB C 13 41.015 0 . . . . . . 4 ASP CB . 15180 1 21 . 1 1 5 5 GLU H H 1 8.252 0 . . . . . . 5 GLU H . 15180 1 22 . 1 1 5 5 GLU HA H 1 4.166 0 . . . . . . 5 GLU HA . 15180 1 23 . 1 1 5 5 GLU HB2 H 1 1.899 0 . . . . . . 5 GLU HB2 . 15180 1 24 . 1 1 5 5 GLU HB3 H 1 1.811 0 . . . . . . 5 GLU HB3 . 15180 1 25 . 1 1 5 5 GLU HG2 H 1 2.154 0 . . . . . . 5 GLU HG2 . 15180 1 26 . 1 1 5 5 GLU C C 13 176.596 0 . . . . . . 5 GLU C . 15180 1 27 . 1 1 5 5 GLU CA C 13 56.33 0 . . . . . . 5 GLU CA . 15180 1 28 . 1 1 5 5 GLU CB C 13 30.122 0 . . . . . . 5 GLU CB . 15180 1 29 . 1 1 5 5 GLU CG C 13 36.054 0 . . . . . . 5 GLU CG . 15180 1 30 . 1 1 5 5 GLU N N 15 120.203 0 . . . . . . 5 GLU N . 15180 1 31 . 1 1 6 6 GLU H H 1 8.291 0 . . . . . . 6 GLU H . 15180 1 32 . 1 1 6 6 GLU HA H 1 4.179 0 . . . . . . 6 GLU HA . 15180 1 33 . 1 1 6 6 GLU HB2 H 1 1.962 0 . . . . . . 6 GLU HB2 . 15180 1 34 . 1 1 6 6 GLU HB3 H 1 1.827 0 . . . . . . 6 GLU HB3 . 15180 1 35 . 1 1 6 6 GLU HG2 H 1 2.132 0 . . . . . . 6 GLU HG2 . 15180 1 36 . 1 1 6 6 GLU C C 13 175.68 0 . . . . . . 6 GLU C . 15180 1 37 . 1 1 6 6 GLU CA C 13 56.384 0 . . . . . . 6 GLU CA . 15180 1 38 . 1 1 6 6 GLU CB C 13 30.068 0 . . . . . . 6 GLU CB . 15180 1 39 . 1 1 6 6 GLU CG C 13 36.162 0 . . . . . . 6 GLU CG . 15180 1 40 . 1 1 6 6 GLU N N 15 122.69 0 . . . . . . 6 GLU N . 15180 1 41 . 1 1 7 7 ASP H H 1 8.314 0 . . . . . . 7 ASP H . 15180 1 42 . 1 1 7 7 ASP HA H 1 4.494 0 . . . . . . 7 ASP HA . 15180 1 43 . 1 1 7 7 ASP HB2 H 1 2.579 0 . . . . . . 7 ASP HB2 . 15180 1 44 . 1 1 7 7 ASP C C 13 176.626 0 . . . . . . 7 ASP C . 15180 1 45 . 1 1 7 7 ASP CA C 13 54.497 0 . . . . . . 7 ASP CA . 15180 1 46 . 1 1 7 7 ASP CB C 13 41.069 0 . . . . . . 7 ASP CB . 15180 1 47 . 1 1 7 7 ASP N N 15 121.413 0 . . . . . . 7 ASP N . 15180 1 48 . 1 1 8 8 GLY H H 1 8.177 0 . . . . . . 8 GLY H . 15180 1 49 . 1 1 8 8 GLY HA2 H 1 3.892 0 . . . . . . 8 GLY HA2 . 15180 1 50 . 1 1 8 8 GLY HA3 H 1 3.829 0 . . . . . . 8 GLY HA3 . 15180 1 51 . 1 1 8 8 GLY C C 13 173.764 0 . . . . . . 8 GLY C . 15180 1 52 . 1 1 8 8 GLY CA C 13 44.888 0 . . . . . . 8 GLY CA . 15180 1 53 . 1 1 8 8 GLY N N 15 109.147 0 . . . . . . 8 GLY N . 15180 1 54 . 1 1 9 9 GLU H H 1 8.198 0 . . . . . . 9 GLU H . 15180 1 55 . 1 1 9 9 GLU HA H 1 4.317 0 . . . . . . 9 GLU HA . 15180 1 56 . 1 1 9 9 GLU HB2 H 1 1.924 0 . . . . . . 9 GLU HB2 . 15180 1 57 . 1 1 9 9 GLU HG2 H 1 2.143 0 . . . . . . 9 GLU HG2 . 15180 1 58 . 1 1 9 9 GLU CA C 13 56.422 0 . . . . . . 9 GLU CA . 15180 1 59 . 1 1 9 9 GLU CB C 13 30.338 0 . . . . . . 9 GLU CB . 15180 1 60 . 1 1 9 9 GLU N N 15 121.793 0 . . . . . . 9 GLU N . 15180 1 61 . 1 1 10 10 PRO HA H 1 4.307 0 . . . . . . 11 PRO HA . 15180 1 62 . 1 1 10 10 PRO HB2 H 1 2.146 0 . . . . . . 11 PRO HB2 . 15180 1 63 . 1 1 10 10 PRO HB3 H 1 1.932 0 . . . . . . 11 PRO HB3 . 15180 1 64 . 1 1 10 10 PRO C C 13 176.389 0 . . . . . . 11 PRO C . 15180 1 65 . 1 1 10 10 PRO CA C 13 62.478 0 . . . . . . 11 PRO CA . 15180 1 66 . 1 1 10 10 PRO CB C 13 31.686 0 . . . . . . 11 PRO CB . 15180 1 67 . 1 1 10 10 PRO CD C 13 50.237 0 . . . . . . 11 PRO CD . 15180 1 68 . 1 1 10 10 PRO CG C 13 27.156 0 . . . . . . 11 PRO CG . 15180 1 69 . 1 1 12 12 TYR H H 1 8.216 0 . . . . . . 12 TYR H . 15180 1 70 . 1 1 12 12 TYR HA H 1 4.419 0 . . . . . . 12 TYR HA . 15180 1 71 . 1 1 12 12 TYR HB2 H 1 2.931 0 . . . . . . 12 TYR HB2 . 15180 1 72 . 1 1 12 12 TYR HB3 H 1 2.77 0 . . . . . . 12 TYR HB3 . 15180 1 73 . 1 1 12 12 TYR C C 13 175.093 0 . . . . . . 12 TYR C . 15180 1 74 . 1 1 12 12 TYR CA C 13 57.57 0 . . . . . . 12 TYR CA . 15180 1 75 . 1 1 12 12 TYR CB C 13 38.858 0 . . . . . . 12 TYR CB . 15180 1 76 . 1 1 12 12 TYR N N 15 121.628 0 . . . . . . 12 TYR N . 15180 1 77 . 1 1 13 13 GLU H H 1 8.086 0 . . . . . . 13 GLU H . 15180 1 78 . 1 1 13 13 GLU HA H 1 4.386 0 . . . . . . 13 GLU HA . 15180 1 79 . 1 1 13 13 GLU HB2 H 1 1.81 0 . . . . . . 13 GLU HB2 . 15180 1 80 . 1 1 13 13 GLU HB3 H 1 1.677 0 . . . . . . 13 GLU HB3 . 15180 1 81 . 1 1 13 13 GLU HG2 H 1 2.046 0 . . . . . . 13 GLU HG2 . 15180 1 82 . 1 1 13 13 GLU C C 13 173.436 0 . . . . . . 13 GLU C . 15180 1 83 . 1 1 13 13 GLU CA C 13 53.149 0 . . . . . . 13 GLU CA . 15180 1 84 . 1 1 13 13 GLU CB C 13 30.338 0 . . . . . . 13 GLU CB . 15180 1 85 . 1 1 13 13 GLU N N 15 126.258 0 . . . . . . 13 GLU N . 15180 1 86 . 1 1 14 14 PRO HA H 1 4.185 0 . . . . . . 14 PRO HA . 15180 1 87 . 1 1 14 14 PRO HB2 H 1 2.178 0 . . . . . . 14 PRO HB2 . 15180 1 88 . 1 1 14 14 PRO HB3 H 1 1.814 0 . . . . . . 14 PRO HB3 . 15180 1 89 . 1 1 14 14 PRO C C 13 177.075 0 . . . . . . 14 PRO C . 15180 1 90 . 1 1 14 14 PRO CA C 13 62.693 0 . . . . . . 14 PRO CA . 15180 1 91 . 1 1 14 14 PRO CB C 13 32.01 0 . . . . . . 14 PRO CB . 15180 1 92 . 1 1 14 14 PRO CD C 13 50.398 0 . . . . . . 14 PRO CD . 15180 1 93 . 1 1 14 14 PRO CG C 13 27.102 0 . . . . . . 14 PRO CG . 15180 1 94 . 1 1 15 15 GLU H H 1 8.535 0 . . . . . . 15 GLU H . 15180 1 95 . 1 1 15 15 GLU HA H 1 4.153 0 . . . . . . 15 GLU HA . 15180 1 96 . 1 1 15 15 GLU HB2 H 1 1.965 0 . . . . . . 15 GLU HB2 . 15180 1 97 . 1 1 15 15 GLU HB3 H 1 1.857 0 . . . . . . 15 GLU HB3 . 15180 1 98 . 1 1 15 15 GLU HG2 H 1 2.211 0 . . . . . . 15 GLU HG2 . 15180 1 99 . 1 1 15 15 GLU C C 13 176.812 0 . . . . . . 15 GLU C . 15180 1 100 . 1 1 15 15 GLU CA C 13 56.816 0 . . . . . . 15 GLU CA . 15180 1 101 . 1 1 15 15 GLU CB C 13 29.96 0 . . . . . . 15 GLU CB . 15180 1 102 . 1 1 15 15 GLU CG C 13 36.216 0 . . . . . . 15 GLU CG . 15180 1 103 . 1 1 15 15 GLU N N 15 121.172 0 . . . . . . 15 GLU N . 15180 1 104 . 1 1 16 16 SER H H 1 8.316 0 . . . . . . 16 SER H . 15180 1 105 . 1 1 16 16 SER HA H 1 4.316 0 . . . . . . 16 SER HA . 15180 1 106 . 1 1 16 16 SER HB2 H 1 3.79 0 . . . . . . 16 SER HB2 . 15180 1 107 . 1 1 16 16 SER C C 13 175.164 0 . . . . . . 16 SER C . 15180 1 108 . 1 1 16 16 SER CA C 13 58.509 0 . . . . . . 16 SER CA . 15180 1 109 . 1 1 16 16 SER CB C 13 63.826 0 . . . . . . 16 SER CB . 15180 1 110 . 1 1 16 16 SER N N 15 116.901 0 . . . . . . 16 SER N . 15180 1 111 . 1 1 17 17 GLY H H 1 8.374 0 . . . . . . 17 GLY H . 15180 1 112 . 1 1 17 17 GLY HA2 H 1 3.867 0 . . . . . . 17 GLY HA2 . 15180 1 113 . 1 1 17 17 GLY C C 13 173.849 0 . . . . . . 17 GLY C . 15180 1 114 . 1 1 17 17 GLY CA C 13 45.06 0 . . . . . . 17 GLY CA . 15180 1 115 . 1 1 17 17 GLY N N 15 110.874 0 . . . . . . 17 GLY N . 15180 1 116 . 1 1 18 18 CYS H H 1 8.162 0 . . . . . . 18 CYS H . 15180 1 117 . 1 1 18 18 CYS HA H 1 4.41 0 . . . . . . 18 CYS HA . 15180 1 118 . 1 1 18 18 CYS HB2 H 1 2.791 0 . . . . . . 18 CYS HB2 . 15180 1 119 . 1 1 18 18 CYS C C 13 174.511 0 . . . . . . 18 CYS C . 15180 1 120 . 1 1 18 18 CYS CA C 13 58.487 0 . . . . . . 18 CYS CA . 15180 1 121 . 1 1 18 18 CYS CB C 13 27.965 0 . . . . . . 18 CYS CB . 15180 1 122 . 1 1 18 18 CYS N N 15 119.234 0 . . . . . . 18 CYS N . 15180 1 123 . 1 1 19 19 VAL H H 1 8.201 0 . . . . . . 19 VAL H . 15180 1 124 . 1 1 19 19 VAL HA H 1 3.972 0 . . . . . . 19 VAL HA . 15180 1 125 . 1 1 19 19 VAL HB H 1 1.949 0 . . . . . . 19 VAL HB . 15180 1 126 . 1 1 19 19 VAL HG11 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 127 . 1 1 19 19 VAL HG12 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 128 . 1 1 19 19 VAL HG13 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 129 . 1 1 19 19 VAL HG21 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 130 . 1 1 19 19 VAL HG22 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 131 . 1 1 19 19 VAL HG23 H 1 0.805 0 . . . . . . 19 VAL QQG . 15180 1 132 . 1 1 19 19 VAL C C 13 176.145 0 . . . . . . 19 VAL C . 15180 1 133 . 1 1 19 19 VAL CA C 13 62.1 0 . . . . . . 19 VAL CA . 15180 1 134 . 1 1 19 19 VAL CB C 13 32.764 0 . . . . . . 19 VAL CB . 15180 1 135 . 1 1 19 19 VAL CG1 C 13 21.063 0 . . . . . . 19 VAL CG1 . 15180 1 136 . 1 1 19 19 VAL CG2 C 13 20.793 0 . . . . . . 19 VAL CG2 . 15180 1 137 . 1 1 19 19 VAL N N 15 122.917 0 . . . . . . 19 VAL N . 15180 1 138 . 1 1 20 20 GLU H H 1 8.42 0 . . . . . . 20 GLU H . 15180 1 139 . 1 1 20 20 GLU HA H 1 4.198 0 . . . . . . 20 GLU HA . 15180 1 140 . 1 1 20 20 GLU HB2 H 1 1.837 0 . . . . . . 20 GLU HB2 . 15180 1 141 . 1 1 20 20 GLU HB3 H 1 1.791 0 . . . . . . 20 GLU HB3 . 15180 1 142 . 1 1 20 20 GLU HG2 H 1 2.14 0 . . . . . . 20 GLU HG2 . 15180 1 143 . 1 1 20 20 GLU C C 13 175.813 0 . . . . . . 20 GLU C . 15180 1 144 . 1 1 20 20 GLU CA C 13 56.389 0 . . . . . . 20 GLU CA . 15180 1 145 . 1 1 20 20 GLU CB C 13 30.23 0 . . . . . . 20 GLU CB . 15180 1 146 . 1 1 20 20 GLU CG C 13 36.108 0 . . . . . . 20 GLU CG . 15180 1 147 . 1 1 20 20 GLU N N 15 125.108 0 . . . . . . 20 GLU N . 15180 1 148 . 1 1 21 21 ILE H H 1 8.303 0 . . . . . . 21 ILE H . 15180 1 149 . 1 1 21 21 ILE HA H 1 4.198 0 . . . . . . 21 ILE HA . 15180 1 150 . 1 1 21 21 ILE HB H 1 1.755 0 . . . . . . 21 ILE HB . 15180 1 151 . 1 1 21 21 ILE HD11 H 1 0.75 0 . . . . . . 21 ILE HD1 . 15180 1 152 . 1 1 21 21 ILE HD12 H 1 0.75 0 . . . . . . 21 ILE HD1 . 15180 1 153 . 1 1 21 21 ILE HD13 H 1 0.75 0 . . . . . . 21 ILE HD1 . 15180 1 154 . 1 1 21 21 ILE HG12 H 1 1.41 0 . . . . . . 21 ILE HG12 . 15180 1 155 . 1 1 21 21 ILE HG13 H 1 1.04 0 . . . . . . 21 ILE HG13 . 15180 1 156 . 1 1 21 21 ILE HG21 H 1 0.797 0 . . . . . . 21 ILE QG2 . 15180 1 157 . 1 1 21 21 ILE HG22 H 1 0.797 0 . . . . . . 21 ILE QG2 . 15180 1 158 . 1 1 21 21 ILE HG23 H 1 0.797 0 . . . . . . 21 ILE QG2 . 15180 1 159 . 1 1 21 21 ILE C C 13 174.497 0 . . . . . . 21 ILE C . 15180 1 160 . 1 1 21 21 ILE CA C 13 58.406 0 . . . . . . 21 ILE CA . 15180 1 161 . 1 1 21 21 ILE CB C 13 38.535 0 . . . . . . 21 ILE CB . 15180 1 162 . 1 1 21 21 ILE N N 15 124.931 0 . . . . . . 21 ILE N . 15180 1 163 . 1 1 22 22 PRO HA H 1 4.307 0 . . . . . . 22 PRO HA . 15180 1 164 . 1 1 22 22 PRO HB2 H 1 2.195 0 . . . . . . 22 PRO HB2 . 15180 1 165 . 1 1 22 22 PRO HB3 H 1 1.824 0 . . . . . . 22 PRO HB3 . 15180 1 166 . 1 1 22 22 PRO C C 13 177.418 0 . . . . . . 22 PRO C . 15180 1 167 . 1 1 22 22 PRO CA C 13 63.341 0 . . . . . . 22 PRO CA . 15180 1 168 . 1 1 22 22 PRO CB C 13 32.209 0 . . . . . . 22 PRO CB . 15180 1 169 . 1 1 22 22 PRO CD C 13 50.938 0 . . . . . . 22 PRO CD . 15180 1 170 . 1 1 22 22 PRO CG C 13 27.21 0 . . . . . . 22 PRO CG . 15180 1 171 . 1 1 23 23 GLY H H 1 8.403 0 . . . . . . 23 GLY H . 15180 1 172 . 1 1 23 23 GLY HA2 H 1 3.868 0 . . . . . . 23 GLY HA2 . 15180 1 173 . 1 1 23 23 GLY HA3 H 1 3.782 0 . . . . . . 23 GLY HA3 . 15180 1 174 . 1 1 23 23 GLY C C 13 174.046 0 . . . . . . 23 GLY C . 15180 1 175 . 1 1 23 23 GLY CA C 13 45.006 0 . . . . . . 23 GLY CA . 15180 1 176 . 1 1 23 23 GLY N N 15 109.252 0 . . . . . . 23 GLY N . 15180 1 177 . 1 1 24 24 LEU H H 1 8.06 0 . . . . . . 24 LEU H . 15180 1 178 . 1 1 24 24 LEU HA H 1 4.284 0 . . . . . . 24 LEU HA . 15180 1 179 . 1 1 24 24 LEU HB2 H 1 1.508 0 . . . . . . 24 LEU HB2 . 15180 1 180 . 1 1 24 24 LEU HD11 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 181 . 1 1 24 24 LEU HD12 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 182 . 1 1 24 24 LEU HD13 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 183 . 1 1 24 24 LEU HD21 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 184 . 1 1 24 24 LEU HD22 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 185 . 1 1 24 24 LEU HD23 H 1 0.789 0 . . . . . . 24 LEU QQD . 15180 1 186 . 1 1 24 24 LEU HG H 1 1.284 0 . . . . . . 24 LEU HG . 15180 1 187 . 1 1 24 24 LEU C C 13 177.554 0 . . . . . . 24 LEU C . 15180 1 188 . 1 1 24 24 LEU CA C 13 55.112 0 . . . . . . 24 LEU CA . 15180 1 189 . 1 1 24 24 LEU CB C 13 42.575 0 . . . . . . 24 LEU CB . 15180 1 190 . 1 1 24 24 LEU CD1 C 13 24.945 0 . . . . . . 24 LEU CD1 . 15180 1 191 . 1 1 24 24 LEU CD2 C 13 23.435 0 . . . . . . 24 LEU CD2 . 15180 1 192 . 1 1 24 24 LEU CG C 13 26.833 0 . . . . . . 24 LEU CG . 15180 1 193 . 1 1 24 24 LEU N N 15 121.774 0 . . . . . . 24 LEU N . 15180 1 194 . 1 1 25 25 SER H H 1 8.384 0 . . . . . . 25 SER H . 15180 1 195 . 1 1 25 25 SER HA H 1 4.366 0 . . . . . . 25 SER HA . 15180 1 196 . 1 1 25 25 SER HB2 H 1 3.775 0 . . . . . . 25 SER HB2 . 15180 1 197 . 1 1 25 25 SER C C 13 174.624 0 . . . . . . 25 SER C . 15180 1 198 . 1 1 25 25 SER CA C 13 57.993 0 . . . . . . 25 SER CA . 15180 1 199 . 1 1 25 25 SER CB C 13 63.826 0 . . . . . . 25 SER CB . 15180 1 200 . 1 1 25 25 SER N N 15 117.272 0 . . . . . . 25 SER N . 15180 1 201 . 1 1 26 26 GLU H H 1 8.483 0 . . . . . . 26 GLU H . 15180 1 202 . 1 1 26 26 GLU HA H 1 4.179 0 . . . . . . 26 GLU HA . 15180 1 203 . 1 1 26 26 GLU HB2 H 1 1.962 0 . . . . . . 26 GLU HB2 . 15180 1 204 . 1 1 26 26 GLU HB3 H 1 1.827 0 . . . . . . 26 GLU HB3 . 15180 1 205 . 1 1 26 26 GLU HG2 H 1 2.148 0 . . . . . . 26 GLU HG2 . 15180 1 206 . 1 1 26 26 GLU C C 13 176.535 0 . . . . . . 26 GLU C . 15180 1 207 . 1 1 26 26 GLU CA C 13 56.511 0 . . . . . . 26 GLU CA . 15180 1 208 . 1 1 26 26 GLU CB C 13 30.126 0 . . . . . . 26 GLU CB . 15180 1 209 . 1 1 26 26 GLU CG C 13 36.162 0 . . . . . . 26 GLU CG . 15180 1 210 . 1 1 26 26 GLU N N 15 122.976 0 . . . . . . 26 GLU N . 15180 1 211 . 1 1 27 27 GLU H H 1 8.297 0 . . . . . . 27 GLU H . 15180 1 212 . 1 1 27 27 GLU HA H 1 4.153 0 . . . . . . 27 GLU HA . 15180 1 213 . 1 1 27 27 GLU HB2 H 1 1.768 0 . . . . . . 27 GLU HB2 . 15180 1 214 . 1 1 27 27 GLU HG2 H 1 2.148 0 . . . . . . 27 GLU HG2 . 15180 1 215 . 1 1 27 27 GLU C C 13 175.769 0 . . . . . . 27 GLU C . 15180 1 216 . 1 1 27 27 GLU CA C 13 56.363 0 . . . . . . 27 GLU CA . 15180 1 217 . 1 1 27 27 GLU CB C 13 30.338 0 . . . . . . 27 GLU CB . 15180 1 218 . 1 1 27 27 GLU CG C 13 36.108 0 . . . . . . 27 GLU CG . 15180 1 219 . 1 1 27 27 GLU N N 15 121.066 0 . . . . . . 27 GLU N . 15180 1 220 . 1 1 28 28 GLU H H 1 8.224 0 . . . . . . 28 GLU H . 15180 1 221 . 1 1 28 28 GLU HA H 1 4.123 0 . . . . . . 28 GLU HA . 15180 1 222 . 1 1 28 28 GLU HB2 H 1 1.617 0 . . . . . . 28 GLU HB2 . 15180 1 223 . 1 1 28 28 GLU HG2 H 1 2.14 0 . . . . . . 28 GLU HG2 . 15180 1 224 . 1 1 28 28 GLU C C 13 175.887 0 . . . . . . 28 GLU C . 15180 1 225 . 1 1 28 28 GLU CA C 13 56.492 0 . . . . . . 28 GLU CA . 15180 1 226 . 1 1 28 28 GLU CB C 13 30.436 0 . . . . . . 28 GLU CB . 15180 1 227 . 1 1 28 28 GLU CG C 13 36.108 0 . . . . . . 28 GLU CG . 15180 1 228 . 1 1 28 28 GLU N N 15 121.77 0 . . . . . . 28 GLU N . 15180 1 229 . 1 1 29 29 ASP H H 1 8.3 0 . . . . . . 29 ASP H . 15180 1 230 . 1 1 29 29 ASP HA H 1 4.123 0 . . . . . . 29 ASP HA . 15180 1 231 . 1 1 29 29 ASP HB2 H 1 2.603 0 . . . . . . 29 ASP HB2 . 15180 1 232 . 1 1 29 29 ASP HB3 H 1 2.391 0 . . . . . . 29 ASP HB3 . 15180 1 233 . 1 1 29 29 ASP C C 13 174.351 0 . . . . . . 29 ASP C . 15180 1 234 . 1 1 29 29 ASP CA C 13 52.232 0 . . . . . . 29 ASP CA . 15180 1 235 . 1 1 29 29 ASP CB C 13 41.123 0 . . . . . . 29 ASP CB . 15180 1 236 . 1 1 29 29 ASP N N 15 123.155 0 . . . . . . 29 ASP N . 15180 1 237 . 1 1 30 30 PRO HA H 1 4.317 0 . . . . . . 30 PRO HA . 15180 1 238 . 1 1 30 30 PRO HB2 H 1 2.136 0 . . . . . . 30 PRO HB2 . 15180 1 239 . 1 1 30 30 PRO HB3 H 1 1.834 0 . . . . . . 30 PRO HB3 . 15180 1 240 . 1 1 30 30 PRO C C 13 176.694 0 . . . . . . 30 PRO C . 15180 1 241 . 1 1 30 30 PRO CA C 13 63.058 0 . . . . . . 30 PRO CA . 15180 1 242 . 1 1 30 30 PRO CB C 13 32.063 0 . . . . . . 30 PRO CB . 15180 1 243 . 1 1 30 30 PRO CD C 13 50.398 0 . . . . . . 30 PRO CD . 15180 1 244 . 1 1 30 30 PRO CG C 13 26.887 0 . . . . . . 30 PRO CG . 15180 1 245 . 1 1 31 31 ALA H H 1 8.358 0 . . . . . . 31 ALA H . 15180 1 246 . 1 1 31 31 ALA HA H 1 3.994 0 . . . . . . 31 ALA HA . 15180 1 247 . 1 1 31 31 ALA HB1 H 1 1.245 0 . . . . . . 31 ALA HB . 15180 1 248 . 1 1 31 31 ALA HB2 H 1 1.245 0 . . . . . . 31 ALA HB . 15180 1 249 . 1 1 31 31 ALA HB3 H 1 1.245 0 . . . . . . 31 ALA HB . 15180 1 250 . 1 1 31 31 ALA C C 13 175.685 0 . . . . . . 31 ALA C . 15180 1 251 . 1 1 31 31 ALA CA C 13 51.14 0 . . . . . . 31 ALA CA . 15180 1 252 . 1 1 31 31 ALA CB C 13 17.665 0 . . . . . . 31 ALA CB . 15180 1 253 . 1 1 31 31 ALA N N 15 125.3 0 . . . . . . 31 ALA N . 15180 1 254 . 1 1 32 32 PRO HA H 1 4.287 0 . . . . . . 32 PRO HA . 15180 1 255 . 1 1 32 32 PRO HB2 H 1 2.192 0 . . . . . . 32 PRO HB2 . 15180 1 256 . 1 1 32 32 PRO HB3 H 1 1.804 0 . . . . . . 32 PRO HB3 . 15180 1 257 . 1 1 32 32 PRO C C 13 177.474 0 . . . . . . 32 PRO C . 15180 1 258 . 1 1 32 32 PRO CA C 13 63.664 0 . . . . . . 32 PRO CA . 15180 1 259 . 1 1 32 32 PRO CB C 13 31.74 0 . . . . . . 32 PRO CB . 15180 1 260 . 1 1 32 32 PRO CD C 13 50.344 0 . . . . . . 32 PRO CD . 15180 1 261 . 1 1 32 32 PRO CG C 13 27.48 0 . . . . . . 32 PRO CG . 15180 1 262 . 1 1 33 33 SER H H 1 8.172 0 . . . . . . 33 SER H . 15180 1 263 . 1 1 33 33 SER HA H 1 4.253 0 . . . . . . 33 SER HA . 15180 1 264 . 1 1 33 33 SER HB2 H 1 3.791 0 . . . . . . 33 SER HB2 . 15180 1 265 . 1 1 33 33 SER HB3 H 1 3.762 0 . . . . . . 33 SER HB3 . 15180 1 266 . 1 1 33 33 SER C C 13 174.835 0 . . . . . . 33 SER C . 15180 1 267 . 1 1 33 33 SER CA C 13 58.311 0 . . . . . . 33 SER CA . 15180 1 268 . 1 1 33 33 SER CB C 13 63.356 0 . . . . . . 33 SER CB . 15180 1 269 . 1 1 33 33 SER N N 15 114.515 0 . . . . . . 33 SER N . 15180 1 270 . 1 1 34 34 ARG H H 1 8.122 0 . . . . . . 34 ARG H . 15180 1 271 . 1 1 34 34 ARG HA H 1 4.096 0 . . . . . . 34 ARG HA . 15180 1 272 . 1 1 34 34 ARG HB2 H 1 1.661 0 . . . . . . 34 ARG HB2 . 15180 1 273 . 1 1 34 34 ARG HB3 H 1 1.535 0 . . . . . . 34 ARG HB3 . 15180 1 274 . 1 1 34 34 ARG HG2 H 1 1.284 0 . . . . . . 34 ARG HG2 . 15180 1 275 . 1 1 34 34 ARG C C 13 176.108 0 . . . . . . 34 ARG C . 15180 1 276 . 1 1 34 34 ARG CA C 13 56.175 0 . . . . . . 34 ARG CA . 15180 1 277 . 1 1 34 34 ARG CB C 13 30.297 0 . . . . . . 34 ARG CB . 15180 1 278 . 1 1 34 34 ARG N N 15 122.707 0 . . . . . . 34 ARG N . 15180 1 279 . 1 1 35 35 LYS HA H 1 4.156 0 . . . . . . 35 LYS HA . 15180 1 280 . 1 1 35 35 LYS HB2 H 1 1.623 0 . . . . . . 35 LYS HB2 . 15180 1 281 . 1 1 35 35 LYS HB3 H 1 1.604 0 . . . . . . 35 LYS HB3 . 15180 1 282 . 1 1 35 35 LYS C C 13 176.262 0 . . . . . . 35 LYS C . 15180 1 283 . 1 1 35 35 LYS CA C 13 56.061 0 . . . . . . 35 LYS CA . 15180 1 284 . 1 1 35 35 LYS CB C 13 32.872 0 . . . . . . 35 LYS CB . 15180 1 285 . 1 1 35 35 LYS CD C 13 28.936 0 . . . . . . 35 LYS CD . 15180 1 286 . 1 1 35 35 LYS CE C 13 41.99 0 . . . . . . 35 LYS CE . 15180 1 287 . 1 1 35 35 LYS CG C 13 24.73 0 . . . . . . 35 LYS CG . 15180 1 288 . 1 1 36 36 ILE H H 1 7.97 0 . . . . . . 36 ILE H . 15180 1 289 . 1 1 36 36 ILE HA H 1 3.965 0 . . . . . . 36 ILE HA . 15180 1 290 . 1 1 36 36 ILE HB H 1 1.623 0 . . . . . . 36 ILE HB . 15180 1 291 . 1 1 36 36 ILE HD11 H 1 0.569 0 . . . . . . 36 ILE HD1 . 15180 1 292 . 1 1 36 36 ILE HD12 H 1 0.569 0 . . . . . . 36 ILE HD1 . 15180 1 293 . 1 1 36 36 ILE HD13 H 1 0.569 0 . . . . . . 36 ILE HD1 . 15180 1 294 . 1 1 36 36 ILE HG12 H 1 1.237 0 . . . . . . 36 ILE HG12 . 15180 1 295 . 1 1 36 36 ILE HG13 H 1 0.978 0 . . . . . . 36 ILE HG13 . 15180 1 296 . 1 1 36 36 ILE HG21 H 1 0.616 0 . . . . . . 36 ILE QG2 . 15180 1 297 . 1 1 36 36 ILE HG22 H 1 0.616 0 . . . . . . 36 ILE QG2 . 15180 1 298 . 1 1 36 36 ILE HG23 H 1 0.616 0 . . . . . . 36 ILE QG2 . 15180 1 299 . 1 1 36 36 ILE C C 13 175.685 0 . . . . . . 36 ILE C . 15180 1 300 . 1 1 36 36 ILE CA C 13 60.749 0 . . . . . . 36 ILE CA . 15180 1 301 . 1 1 36 36 ILE CB C 13 38.471 0 . . . . . . 36 ILE CB . 15180 1 302 . 1 1 36 36 ILE CD1 C 13 12.704 0 . . . . . . 36 ILE CD1 . 15180 1 303 . 1 1 36 36 ILE CG1 C 13 27.102 0 . . . . . . 36 ILE CG1 . 15180 1 304 . 1 1 36 36 ILE CG2 C 13 17.342 0 . . . . . . 36 ILE CG2 . 15180 1 305 . 1 1 36 36 ILE N N 15 121.895 0 . . . . . . 36 ILE N . 15180 1 306 . 1 1 37 37 HIS H H 1 8.289 0 . . . . . . 37 HIS H . 15180 1 307 . 1 1 37 37 HIS HA H 1 4.512 0 . . . . . . 37 HIS HA . 15180 1 308 . 1 1 37 37 HIS HB2 H 1 2.941 0 . . . . . . 37 HIS HB2 . 15180 1 309 . 1 1 37 37 HIS HB3 H 1 2.926 0 . . . . . . 37 HIS HB3 . 15180 1 310 . 1 1 37 37 HIS C C 13 174.438 0 . . . . . . 37 HIS C . 15180 1 311 . 1 1 37 37 HIS CA C 13 55.648 0 . . . . . . 37 HIS CA . 15180 1 312 . 1 1 37 37 HIS CB C 13 30.392 0 . . . . . . 37 HIS CB . 15180 1 313 . 1 1 37 37 HIS N N 15 123.586 0 . . . . . . 37 HIS N . 15180 1 314 . 1 1 38 38 PHE H H 1 8.144 0 . . . . . . 38 PHE H . 15180 1 315 . 1 1 38 38 PHE HA H 1 4.527 0 . . . . . . 38 PHE HA . 15180 1 316 . 1 1 38 38 PHE HB2 H 1 3.003 0 . . . . . . 38 PHE HB2 . 15180 1 317 . 1 1 38 38 PHE HB3 H 1 2.871 0 . . . . . . 38 PHE HB3 . 15180 1 318 . 1 1 38 38 PHE C C 13 175.417 0 . . . . . . 38 PHE C . 15180 1 319 . 1 1 38 38 PHE CA C 13 57.463 0 . . . . . . 38 PHE CA . 15180 1 320 . 1 1 38 38 PHE CB C 13 39.774 0 . . . . . . 38 PHE CB . 15180 1 321 . 1 1 38 38 PHE N N 15 122.484 0 . . . . . . 38 PHE N . 15180 1 322 . 1 1 39 39 SER H H 1 8.275 0 . . . . . . 39 SER H . 15180 1 323 . 1 1 39 39 SER HA H 1 4.379 0 . . . . . . 39 SER HA . 15180 1 324 . 1 1 39 39 SER HB2 H 1 3.752 0 . . . . . . 39 SER HB2 . 15180 1 325 . 1 1 39 39 SER HB3 H 1 3.712 0 . . . . . . 39 SER HB3 . 15180 1 326 . 1 1 39 39 SER C C 13 174.403 0 . . . . . . 39 SER C . 15180 1 327 . 1 1 39 39 SER CA C 13 57.891 0 . . . . . . 39 SER CA . 15180 1 328 . 1 1 39 39 SER CB C 13 63.88 0 . . . . . . 39 SER CB . 15180 1 329 . 1 1 39 39 SER N N 15 117.689 0 . . . . . . 39 SER N . 15180 1 330 . 1 1 40 40 THR H H 1 8.127 0 . . . . . . 40 THR H . 15180 1 331 . 1 1 40 40 THR HA H 1 4.225 0 . . . . . . 40 THR HA . 15180 1 332 . 1 1 40 40 THR HB H 1 4.136 0 . . . . . . 40 THR HB . 15180 1 333 . 1 1 40 40 THR HG21 H 1 1.095 0 . . . . . . 40 THR HG2 . 15180 1 334 . 1 1 40 40 THR HG22 H 1 1.095 0 . . . . . . 40 THR HG2 . 15180 1 335 . 1 1 40 40 THR HG23 H 1 1.095 0 . . . . . . 40 THR HG2 . 15180 1 336 . 1 1 40 40 THR C C 13 173.905 0 . . . . . . 40 THR C . 15180 1 337 . 1 1 40 40 THR CA C 13 61.453 0 . . . . . . 40 THR CA . 15180 1 338 . 1 1 40 40 THR CB C 13 69.704 0 . . . . . . 40 THR CB . 15180 1 339 . 1 1 40 40 THR CG2 C 13 21.656 0 . . . . . . 40 THR CG2 . 15180 1 340 . 1 1 40 40 THR N N 15 116.094 0 . . . . . . 40 THR N . 15180 1 341 . 1 1 41 41 ALA H H 1 8.173 0 . . . . . . 41 ALA H . 15180 1 342 . 1 1 41 41 ALA HA H 1 4.19 0 . . . . . . 41 ALA HA . 15180 1 343 . 1 1 41 41 ALA HB1 H 1 1.245 0 . . . . . . 41 ALA HB . 15180 1 344 . 1 1 41 41 ALA HB2 H 1 1.245 0 . . . . . . 41 ALA HB . 15180 1 345 . 1 1 41 41 ALA HB3 H 1 1.245 0 . . . . . . 41 ALA HB . 15180 1 346 . 1 1 41 41 ALA C C 13 175.375 0 . . . . . . 41 ALA C . 15180 1 347 . 1 1 41 41 ALA CA C 13 50.56 0 . . . . . . 41 ALA CA . 15180 1 348 . 1 1 41 41 ALA CB C 13 17.935 0 . . . . . . 41 ALA CB . 15180 1 349 . 1 1 41 41 ALA N N 15 127.98 0 . . . . . . 41 ALA N . 15180 1 350 . 1 1 42 42 PRO HA H 1 4.313 0 . . . . . . 42 PRO HA . 15180 1 351 . 1 1 42 42 PRO HB2 H 1 2.152 0 . . . . . . 42 PRO HB2 . 15180 1 352 . 1 1 42 42 PRO HB3 H 1 1.745 0 . . . . . . 42 PRO HB3 . 15180 1 353 . 1 1 42 42 PRO C C 13 176.779 0 . . . . . . 42 PRO C . 15180 1 354 . 1 1 42 42 PRO CA C 13 62.791 0 . . . . . . 42 PRO CA . 15180 1 355 . 1 1 42 42 PRO CB C 13 31.848 0 . . . . . . 42 PRO CB . 15180 1 356 . 1 1 42 42 PRO CD C 13 50.344 0 . . . . . . 42 PRO CD . 15180 1 357 . 1 1 42 42 PRO CG C 13 27.264 0 . . . . . . 42 PRO CG . 15180 1 358 . 1 1 43 43 ILE H H 1 8.133 0 . . . . . . 43 ILE H . 15180 1 359 . 1 1 43 43 ILE HA H 1 3.978 0 . . . . . . 43 ILE HA . 15180 1 360 . 1 1 43 43 ILE HB H 1 1.689 0 . . . . . . 43 ILE HB . 15180 1 361 . 1 1 43 43 ILE HD11 H 1 0.703 0 . . . . . . 43 ILE HD1 . 15180 1 362 . 1 1 43 43 ILE HD12 H 1 0.703 0 . . . . . . 43 ILE HD1 . 15180 1 363 . 1 1 43 43 ILE HD13 H 1 0.703 0 . . . . . . 43 ILE HD1 . 15180 1 364 . 1 1 43 43 ILE HG12 H 1 1.362 0 . . . . . . 43 ILE HG12 . 15180 1 365 . 1 1 43 43 ILE HG13 H 1 1.08 0 . . . . . . 43 ILE HG13 . 15180 1 366 . 1 1 43 43 ILE HG21 H 1 0.75 0 . . . . . . 43 ILE QG2 . 15180 1 367 . 1 1 43 43 ILE HG22 H 1 0.75 0 . . . . . . 43 ILE QG2 . 15180 1 368 . 1 1 43 43 ILE HG23 H 1 0.75 0 . . . . . . 43 ILE QG2 . 15180 1 369 . 1 1 43 43 ILE C C 13 176.126 0 . . . . . . 43 ILE C . 15180 1 370 . 1 1 43 43 ILE CA C 13 61.02 0 . . . . . . 43 ILE CA . 15180 1 371 . 1 1 43 43 ILE CB C 13 38.642 0 . . . . . . 43 ILE CB . 15180 1 372 . 1 1 43 43 ILE CD1 C 13 12.758 0 . . . . . . 43 ILE CD1 . 15180 1 373 . 1 1 43 43 ILE CG1 C 13 27.264 0 . . . . . . 43 ILE CG1 . 15180 1 374 . 1 1 43 43 ILE CG2 C 13 17.396 0 . . . . . . 43 ILE CG2 . 15180 1 375 . 1 1 43 43 ILE N N 15 121.281 0 . . . . . . 43 ILE N . 15180 1 376 . 1 1 44 44 GLN H H 1 8.336 0 . . . . . . 44 GLN H . 15180 1 377 . 1 1 44 44 GLN HA H 1 4.198 0 . . . . . . 44 GLN HA . 15180 1 378 . 1 1 44 44 GLN HB2 H 1 1.778 0 . . . . . . 44 GLN HB2 . 15180 1 379 . 1 1 44 44 GLN HG2 H 1 2.085 0 . . . . . . 44 GLN HG2 . 15180 1 380 . 1 1 44 44 GLN C C 13 175.201 0 . . . . . . 44 GLN C . 15180 1 381 . 1 1 44 44 GLN CA C 13 55.462 0 . . . . . . 44 GLN CA . 15180 1 382 . 1 1 44 44 GLN CB C 13 29.637 0 . . . . . . 44 GLN CB . 15180 1 383 . 1 1 44 44 GLN CG C 13 33.735 0 . . . . . . 44 GLN CG . 15180 1 384 . 1 1 44 44 GLN N N 15 125.038 0 . . . . . . 44 GLN N . 15180 1 385 . 1 1 45 45 VAL H H 1 8.083 0 . . . . . . 45 VAL H . 15180 1 386 . 1 1 45 45 VAL HA H 1 3.936 0 . . . . . . 45 VAL HA . 15180 1 387 . 1 1 45 45 VAL HB H 1 1.847 0 . . . . . . 45 VAL HB . 15180 1 388 . 1 1 45 45 VAL HG11 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 389 . 1 1 45 45 VAL HG12 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 390 . 1 1 45 45 VAL HG13 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 391 . 1 1 45 45 VAL HG21 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 392 . 1 1 45 45 VAL HG22 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 393 . 1 1 45 45 VAL HG23 H 1 0.742 0 . . . . . . 45 VAL QQG . 15180 1 394 . 1 1 45 45 VAL C C 13 175.619 0 . . . . . . 45 VAL C . 15180 1 395 . 1 1 45 45 VAL CA C 13 61.938 0 . . . . . . 45 VAL CA . 15180 1 396 . 1 1 45 45 VAL CB C 13 32.872 0 . . . . . . 45 VAL CB . 15180 1 397 . 1 1 45 45 VAL CG1 C 13 20.901 0 . . . . . . 45 VAL CG1 . 15180 1 398 . 1 1 45 45 VAL CG2 C 13 20.842 0 . . . . . . 45 VAL CG2 . 15180 1 399 . 1 1 45 45 VAL N N 15 122.248 0 . . . . . . 45 VAL N . 15180 1 400 . 1 1 46 46 PHE H H 1 8.319 0 . . . . . . 46 PHE H . 15180 1 401 . 1 1 46 46 PHE HA H 1 4.514 0 . . . . . . 46 PHE HA . 15180 1 402 . 1 1 46 46 PHE HB2 H 1 2.954 0 . . . . . . 46 PHE HB2 . 15180 1 403 . 1 1 46 46 PHE HB3 H 1 2.822 0 . . . . . . 46 PHE HB3 . 15180 1 404 . 1 1 46 46 PHE C C 13 175.6 0 . . . . . . 46 PHE C . 15180 1 405 . 1 1 46 46 PHE CA C 13 57.355 0 . . . . . . 46 PHE CA . 15180 1 406 . 1 1 46 46 PHE CB C 13 39.721 0 . . . . . . 46 PHE CB . 15180 1 407 . 1 1 46 46 PHE N N 15 124.308 0 . . . . . . 46 PHE N . 15180 1 408 . 1 1 47 47 SER H H 1 8.235 0 . . . . . . 47 SER H . 15180 1 409 . 1 1 47 47 SER HA H 1 4.369 0 . . . . . . 47 SER HA . 15180 1 410 . 1 1 47 47 SER HB2 H 1 3.709 0 . . . . . . 47 SER HB2 . 15180 1 411 . 1 1 47 47 SER HB3 H 1 3.65 0 . . . . . . 47 SER HB3 . 15180 1 412 . 1 1 47 47 SER C C 13 174.295 0 . . . . . . 47 SER C . 15180 1 413 . 1 1 47 47 SER CA C 13 57.83 0 . . . . . . 47 SER CA . 15180 1 414 . 1 1 47 47 SER CB C 13 63.88 0 . . . . . . 47 SER CB . 15180 1 415 . 1 1 47 47 SER N N 15 117.613 0 . . . . . . 47 SER N . 15180 1 416 . 1 1 48 48 THR H H 1 8.063 0 . . . . . . 48 THR H . 15180 1 417 . 1 1 48 48 THR HA H 1 4.202 0 . . . . . . 48 THR HA . 15180 1 418 . 1 1 48 48 THR HB H 1 4.064 0 . . . . . . 48 THR HB . 15180 1 419 . 1 1 48 48 THR HG21 H 1 1.009 0 . . . . . . 48 THR HG2 . 15180 1 420 . 1 1 48 48 THR HG22 H 1 1.009 0 . . . . . . 48 THR HG2 . 15180 1 421 . 1 1 48 48 THR HG23 H 1 1.009 0 . . . . . . 48 THR HG2 . 15180 1 422 . 1 1 48 48 THR C C 13 174.079 0 . . . . . . 48 THR C . 15180 1 423 . 1 1 48 48 THR CA C 13 61.7 0 . . . . . . 48 THR CA . 15180 1 424 . 1 1 48 48 THR CB C 13 69.704 0 . . . . . . 48 THR CB . 15180 1 425 . 1 1 48 48 THR CG2 C 13 21.494 0 . . . . . . 48 THR CG2 . 15180 1 426 . 1 1 48 48 THR N N 15 115.765 0 . . . . . . 48 THR N . 15180 1 427 . 1 1 49 49 TYR H H 1 8.1 0 . . . . . . 49 TYR H . 15180 1 428 . 1 1 49 49 TYR HA H 1 4.507 0 . . . . . . 49 TYR HA . 15180 1 429 . 1 1 49 49 TYR HB2 H 1 2.95 0 . . . . . . 49 TYR HB2 . 15180 1 430 . 1 1 49 49 TYR HB3 H 1 2.819 0 . . . . . . 49 TYR HB3 . 15180 1 431 . 1 1 49 49 TYR C C 13 175.619 0 . . . . . . 49 TYR C . 15180 1 432 . 1 1 49 49 TYR CA C 13 57.786 0 . . . . . . 49 TYR CA . 15180 1 433 . 1 1 49 49 TYR CB C 13 38.804 0 . . . . . . 49 TYR CB . 15180 1 434 . 1 1 49 49 TYR N N 15 122.215 0 . . . . . . 49 TYR N . 15180 1 435 . 1 1 50 50 SER H H 1 8.208 0 . . . . . . 50 SER H . 15180 1 436 . 1 1 50 50 SER HA H 1 4.33 0 . . . . . . 50 SER HA . 15180 1 437 . 1 1 50 50 SER HB2 H 1 3.742 0 . . . . . . 50 SER HB2 . 15180 1 438 . 1 1 50 50 SER HB3 H 1 3.686 0 . . . . . . 50 SER HB3 . 15180 1 439 . 1 1 50 50 SER C C 13 174.051 0 . . . . . . 50 SER C . 15180 1 440 . 1 1 50 50 SER CA C 13 57.788 0 . . . . . . 50 SER CA . 15180 1 441 . 1 1 50 50 SER CB C 13 63.88 0 . . . . . . 50 SER CB . 15180 1 442 . 1 1 50 50 SER N N 15 117.829 0 . . . . . . 50 SER N . 15180 1 443 . 1 1 51 51 ASN H H 1 8.381 0 . . . . . . 51 ASN H . 15180 1 444 . 1 1 51 51 ASN HA H 1 4.553 0 . . . . . . 51 ASN HA . 15180 1 445 . 1 1 51 51 ASN HB2 H 1 2.737 0 . . . . . . 51 ASN HB2 . 15180 1 446 . 1 1 51 51 ASN HB3 H 1 2.661 0 . . . . . . 51 ASN HB3 . 15180 1 447 . 1 1 51 51 ASN C C 13 175.37 0 . . . . . . 51 ASN C . 15180 1 448 . 1 1 51 51 ASN CA C 13 53.58 0 . . . . . . 51 ASN CA . 15180 1 449 . 1 1 51 51 ASN CB C 13 38.696 0 . . . . . . 51 ASN CB . 15180 1 450 . 1 1 51 51 ASN N N 15 121.159 0 . . . . . . 51 ASN N . 15180 1 451 . 1 1 52 52 GLU H H 1 8.327 0 . . . . . . 52 GLU H . 15180 1 452 . 1 1 52 52 GLU HA H 1 4.097 0 . . . . . . 52 GLU HA . 15180 1 453 . 1 1 52 52 GLU HB2 H 1 1.883 0 . . . . . . 52 GLU HB2 . 15180 1 454 . 1 1 52 52 GLU HB3 H 1 1.745 0 . . . . . . 52 GLU HB3 . 15180 1 455 . 1 1 52 52 GLU HG2 H 1 2.101 0 . . . . . . 52 GLU HG2 . 15180 1 456 . 1 1 52 52 GLU C C 13 176.187 0 . . . . . . 52 GLU C . 15180 1 457 . 1 1 52 52 GLU CA C 13 56.977 0 . . . . . . 52 GLU CA . 15180 1 458 . 1 1 52 52 GLU CB C 13 29.96 0 . . . . . . 52 GLU CB . 15180 1 459 . 1 1 52 52 GLU CG C 13 36.216 0 . . . . . . 52 GLU CG . 15180 1 460 . 1 1 52 52 GLU N N 15 120.621 0 . . . . . . 52 GLU N . 15180 1 461 . 1 1 53 53 ASP H H 1 8.134 0 . . . . . . 53 ASP H . 15180 1 462 . 1 1 53 53 ASP HA H 1 4.438 0 . . . . . . 53 ASP HA . 15180 1 463 . 1 1 53 53 ASP HB2 H 1 2.53 0 . . . . . . 53 ASP HB2 . 15180 1 464 . 1 1 53 53 ASP HB3 H 1 2.461 0 . . . . . . 53 ASP HB3 . 15180 1 465 . 1 1 53 53 ASP C C 13 176.227 0 . . . . . . 53 ASP C . 15180 1 466 . 1 1 53 53 ASP CA C 13 54.605 0 . . . . . . 53 ASP CA . 15180 1 467 . 1 1 53 53 ASP CB C 13 40.853 0 . . . . . . 53 ASP CB . 15180 1 468 . 1 1 53 53 ASP N N 15 120.528 0 . . . . . . 53 ASP N . 15180 1 469 . 1 1 54 54 TYR H H 1 7.859 0 . . . . . . 54 TYR H . 15180 1 470 . 1 1 54 54 TYR HA H 1 4.313 0 . . . . . . 54 TYR HA . 15180 1 471 . 1 1 54 54 TYR HB2 H 1 2.933 0 . . . . . . 54 TYR HB2 . 15180 1 472 . 1 1 54 54 TYR HB3 H 1 2.878 0 . . . . . . 54 TYR HB3 . 15180 1 473 . 1 1 54 54 TYR C C 13 175.738 0 . . . . . . 54 TYR C . 15180 1 474 . 1 1 54 54 TYR CA C 13 58.237 0 . . . . . . 54 TYR CA . 15180 1 475 . 1 1 54 54 TYR CB C 13 38.535 0 . . . . . . 54 TYR CB . 15180 1 476 . 1 1 54 54 TYR N N 15 120.534 0 . . . . . . 54 TYR N . 15180 1 477 . 1 1 55 55 ASP H H 1 8.18 0 . . . . . . 55 ASP H . 15180 1 478 . 1 1 55 55 ASP HA H 1 4.412 0 . . . . . . 55 ASP HA . 15180 1 479 . 1 1 55 55 ASP HB2 H 1 2.576 0 . . . . . . 55 ASP HB2 . 15180 1 480 . 1 1 55 55 ASP HB3 H 1 2.461 0 . . . . . . 55 ASP HB3 . 15180 1 481 . 1 1 55 55 ASP C C 13 176.144 0 . . . . . . 55 ASP C . 15180 1 482 . 1 1 55 55 ASP CA C 13 54.605 0 . . . . . . 55 ASP CA . 15180 1 483 . 1 1 55 55 ASP CB C 13 40.799 0 . . . . . . 55 ASP CB . 15180 1 484 . 1 1 55 55 ASP N N 15 121.317 0 . . . . . . 55 ASP N . 15180 1 485 . 1 1 56 56 ARG H H 1 7.937 0 . . . . . . 56 ARG H . 15180 1 486 . 1 1 56 56 ARG HA H 1 4.156 0 . . . . . . 56 ARG HA . 15180 1 487 . 1 1 56 56 ARG HB2 H 1 1.765 0 . . . . . . 56 ARG HB2 . 15180 1 488 . 1 1 56 56 ARG HB3 H 1 1.623 0 . . . . . . 56 ARG HB3 . 15180 1 489 . 1 1 56 56 ARG HD2 H 1 3.043 0 . . . . . . 56 ARG HD2 . 15180 1 490 . 1 1 56 56 ARG HG2 H 1 1.488 0 . . . . . . 56 ARG HG2 . 15180 1 491 . 1 1 56 56 ARG C C 13 176.544 0 . . . . . . 56 ARG C . 15180 1 492 . 1 1 56 56 ARG CA C 13 56.276 0 . . . . . . 56 ARG CA . 15180 1 493 . 1 1 56 56 ARG CB C 13 30.23 0 . . . . . . 56 ARG CB . 15180 1 494 . 1 1 56 56 ARG CD C 13 43.118 0 . . . . . . 56 ARG CD . 15180 1 495 . 1 1 56 56 ARG CG C 13 27.156 0 . . . . . . 56 ARG CG . 15180 1 496 . 1 1 56 56 ARG N N 15 121.494 0 . . . . . . 56 ARG N . 15180 1 497 . 1 1 57 57 ARG H H 1 8.187 0 . . . . . . 57 ARG H . 15180 1 498 . 1 1 57 57 ARG HA H 1 4.149 0 . . . . . . 57 ARG HA . 15180 1 499 . 1 1 57 57 ARG HB2 H 1 1.702 0 . . . . . . 57 ARG HB2 . 15180 1 500 . 1 1 57 57 ARG HB3 H 1 1.679 0 . . . . . . 57 ARG HB3 . 15180 1 501 . 1 1 57 57 ARG HD2 H 1 2.926 0 . . . . . . 57 ARG HD2 . 15180 1 502 . 1 1 57 57 ARG HG2 H 1 1.488 0 . . . . . . 57 ARG HG2 . 15180 1 503 . 1 1 57 57 ARG C C 13 176.375 0 . . . . . . 57 ARG C . 15180 1 504 . 1 1 57 57 ARG CA C 13 56.546 0 . . . . . . 57 ARG CA . 15180 1 505 . 1 1 57 57 ARG CB C 13 30.354 0 . . . . . . 57 ARG CB . 15180 1 506 . 1 1 57 57 ARG CD C 13 43.118 0 . . . . . . 57 ARG CD . 15180 1 507 . 1 1 57 57 ARG CG C 13 26.833 0 . . . . . . 57 ARG CG . 15180 1 508 . 1 1 57 57 ARG N N 15 121.598 0 . . . . . . 57 ARG N . 15180 1 509 . 1 1 58 58 ASN H H 1 8.374 0 . . . . . . 58 ASN H . 15180 1 510 . 1 1 58 58 ASN HA H 1 4.559 0 . . . . . . 58 ASN HA . 15180 1 511 . 1 1 58 58 ASN HB2 H 1 2.721 0 . . . . . . 58 ASN HB2 . 15180 1 512 . 1 1 58 58 ASN HB3 H 1 2.596 0 . . . . . . 58 ASN HB3 . 15180 1 513 . 1 1 58 58 ASN C C 13 176.356 0 . . . . . . 58 ASN C . 15180 1 514 . 1 1 58 58 ASN CA C 13 53.418 0 . . . . . . 58 ASN CA . 15180 1 515 . 1 1 58 58 ASN CB C 13 38.75 0 . . . . . . 58 ASN CB . 15180 1 516 . 1 1 58 58 ASN N N 15 119.388 0 . . . . . . 58 ASN N . 15180 1 517 . 1 1 59 59 GLU HA H 1 4.166 0 . . . . . . 59 GLU HA . 15180 1 518 . 1 1 59 59 GLU HB2 H 1 1.975 0 . . . . . . 59 GLU HB2 . 15180 1 519 . 1 1 59 59 GLU HB3 H 1 1.807 0 . . . . . . 59 GLU HB3 . 15180 1 520 . 1 1 59 59 GLU C C 13 176.084 0 . . . . . . 59 GLU C . 15180 1 521 . 1 1 59 59 GLU CA C 13 56.384 0 . . . . . . 59 GLU CA . 15180 1 522 . 1 1 59 59 GLU CB C 13 30.068 0 . . . . . . 59 GLU CB . 15180 1 523 . 1 1 59 59 GLU CG C 13 36.162 0 . . . . . . 59 GLU CG . 15180 1 524 . 1 1 60 60 ASP H H 1 8.238 0 . . . . . . 60 ASP H . 15180 1 525 . 1 1 60 60 ASP HA H 1 4.501 0 . . . . . . 60 ASP HA . 15180 1 526 . 1 1 60 60 ASP HB2 H 1 2.589 0 . . . . . . 60 ASP HB2 . 15180 1 527 . 1 1 60 60 ASP HB3 H 1 2.487 0 . . . . . . 60 ASP HB3 . 15180 1 528 . 1 1 60 60 ASP C C 13 175.934 0 . . . . . . 60 ASP C . 15180 1 529 . 1 1 60 60 ASP CA C 13 54.392 0 . . . . . . 60 ASP CA . 15180 1 530 . 1 1 60 60 ASP CB C 13 40.961 0 . . . . . . 60 ASP CB . 15180 1 531 . 1 1 60 60 ASP N N 15 121.32 0 . . . . . . 60 ASP N . 15180 1 532 . 1 1 61 61 VAL H H 1 7.888 0 . . . . . . 61 VAL H . 15180 1 533 . 1 1 61 61 VAL HA H 1 3.969 0 . . . . . . 61 VAL HA . 15180 1 534 . 1 1 61 61 VAL HB H 1 1.922 0 . . . . . . 61 VAL HB . 15180 1 535 . 1 1 61 61 VAL HG11 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 536 . 1 1 61 61 VAL HG12 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 537 . 1 1 61 61 VAL HG13 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 538 . 1 1 61 61 VAL HG21 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 539 . 1 1 61 61 VAL HG22 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 540 . 1 1 61 61 VAL HG23 H 1 0.789 0 . . . . . . 61 VAL QQG . 15180 1 541 . 1 1 61 61 VAL C C 13 175.549 0 . . . . . . 61 VAL C . 15180 1 542 . 1 1 61 61 VAL CA C 13 61.741 0 . . . . . . 61 VAL CA . 15180 1 543 . 1 1 61 61 VAL CB C 13 33.034 0 . . . . . . 61 VAL CB . 15180 1 544 . 1 1 61 61 VAL CG1 C 13 20.628 0 . . . . . . 61 VAL CG1 . 15180 1 545 . 1 1 61 61 VAL CG2 C 13 20.981 0 . . . . . . 61 VAL CG2 . 15180 1 546 . 1 1 61 61 VAL N N 15 119.791 0 . . . . . . 61 VAL N . 15180 1 547 . 1 1 62 62 ASP H H 1 8.426 0 . . . . . . 62 ASP H . 15180 1 548 . 1 1 62 62 ASP HA H 1 4.732 0 . . . . . . 62 ASP HA . 15180 1 549 . 1 1 62 62 ASP HB2 H 1 2.682 0 . . . . . . 62 ASP HB2 . 15180 1 550 . 1 1 62 62 ASP HB3 H 1 2.47 0 . . . . . . 62 ASP HB3 . 15180 1 551 . 1 1 62 62 ASP C C 13 175.229 0 . . . . . . 62 ASP C . 15180 1 552 . 1 1 62 62 ASP CA C 13 51.757 0 . . . . . . 62 ASP CA . 15180 1 553 . 1 1 62 62 ASP CB C 13 41.339 0 . . . . . . 62 ASP CB . 15180 1 554 . 1 1 62 62 ASP N N 15 126.047 0 . . . . . . 62 ASP N . 15180 1 555 . 1 1 63 63 PRO HA H 1 4.287 0 . . . . . . 63 PRO HA . 15180 1 556 . 1 1 63 63 PRO HB2 H 1 2.224 0 . . . . . . 63 PRO HB2 . 15180 1 557 . 1 1 63 63 PRO HB3 H 1 1.85 0 . . . . . . 63 PRO HB3 . 15180 1 558 . 1 1 63 63 PRO C C 13 177.676 0 . . . . . . 63 PRO C . 15180 1 559 . 1 1 63 63 PRO CA C 13 63.799 0 . . . . . . 63 PRO CA . 15180 1 560 . 1 1 63 63 PRO CB C 13 32.117 0 . . . . . . 63 PRO CB . 15180 1 561 . 1 1 63 63 PRO CD C 13 50.884 0 . . . . . . 63 PRO CD . 15180 1 562 . 1 1 63 63 PRO CG C 13 27.21 0 . . . . . . 63 PRO CG . 15180 1 563 . 1 1 64 64 MET H H 1 8.345 0 . . . . . . 64 MET H . 15180 1 564 . 1 1 64 64 MET HA H 1 4.33 0 . . . . . . 64 MET HA . 15180 1 565 . 1 1 64 64 MET HB2 H 1 1.991 0 . . . . . . 64 MET HB2 . 15180 1 566 . 1 1 64 64 MET HB3 H 1 1.968 0 . . . . . . 64 MET HB3 . 15180 1 567 . 1 1 64 64 MET HG2 H 1 2.509 0 . . . . . . 64 MET HG2 . 15180 1 568 . 1 1 64 64 MET HG3 H 1 2.384 0 . . . . . . 64 MET HG3 . 15180 1 569 . 1 1 64 64 MET C C 13 176.751 0 . . . . . . 64 MET C . 15180 1 570 . 1 1 64 64 MET CA C 13 55.318 0 . . . . . . 64 MET CA . 15180 1 571 . 1 1 64 64 MET CB C 13 31.855 0 . . . . . . 64 MET CB . 15180 1 572 . 1 1 64 64 MET CG C 13 32.367 0 . . . . . . 64 MET CG . 15180 1 573 . 1 1 64 64 MET N N 15 118.011 0 . . . . . . 64 MET N . 15180 1 574 . 1 1 65 65 ALA H H 1 7.786 0 . . . . . . 65 ALA H . 15180 1 575 . 1 1 65 65 ALA HA H 1 4.097 0 . . . . . . 65 ALA HA . 15180 1 576 . 1 1 65 65 ALA HB1 H 1 1.308 0 . . . . . . 65 ALA HB . 15180 1 577 . 1 1 65 65 ALA HB2 H 1 1.308 0 . . . . . . 65 ALA HB . 15180 1 578 . 1 1 65 65 ALA HB3 H 1 1.308 0 . . . . . . 65 ALA HB . 15180 1 579 . 1 1 65 65 ALA C C 13 177.839 0 . . . . . . 65 ALA C . 15180 1 580 . 1 1 65 65 ALA CA C 13 52.869 0 . . . . . . 65 ALA CA . 15180 1 581 . 1 1 65 65 ALA CB C 13 18.906 0 . . . . . . 65 ALA CB . 15180 1 582 . 1 1 65 65 ALA N N 15 124.294 0 . . . . . . 65 ALA N . 15180 1 583 . 1 1 66 66 ALA H H 1 8.088 0 . . . . . . 66 ALA H . 15180 1 584 . 1 1 66 66 ALA HA H 1 4.195 0 . . . . . . 66 ALA HA . 15180 1 585 . 1 1 66 66 ALA HB1 H 1 1.288 0 . . . . . . 66 ALA HB . 15180 1 586 . 1 1 66 66 ALA HB2 H 1 1.288 0 . . . . . . 66 ALA HB . 15180 1 587 . 1 1 66 66 ALA HB3 H 1 1.288 0 . . . . . . 66 ALA HB . 15180 1 588 . 1 1 66 66 ALA C C 13 178.037 0 . . . . . . 66 ALA C . 15180 1 589 . 1 1 66 66 ALA CA C 13 52.723 0 . . . . . . 66 ALA CA . 15180 1 590 . 1 1 66 66 ALA CB C 13 18.977 0 . . . . . . 66 ALA CB . 15180 1 591 . 1 1 66 66 ALA N N 15 122.755 0 . . . . . . 66 ALA N . 15180 1 592 . 1 1 67 67 SER H H 1 8.083 0 . . . . . . 67 SER H . 15180 1 593 . 1 1 67 67 SER HA H 1 4.287 0 . . . . . . 67 SER HA . 15180 1 594 . 1 1 67 67 SER HB2 H 1 3.821 0 . . . . . . 67 SER HB2 . 15180 1 595 . 1 1 67 67 SER HB3 H 1 3.765 0 . . . . . . 67 SER HB3 . 15180 1 596 . 1 1 67 67 SER C C 13 174.685 0 . . . . . . 67 SER C . 15180 1 597 . 1 1 67 67 SER CA C 13 58.221 0 . . . . . . 67 SER CA . 15180 1 598 . 1 1 67 67 SER CB C 13 63.718 0 . . . . . . 67 SER CB . 15180 1 599 . 1 1 67 67 SER N N 15 114.854 0 . . . . . . 67 SER N . 15180 1 600 . 1 1 68 68 ALA H H 1 8.238 0 . . . . . . 68 ALA H . 15180 1 601 . 1 1 68 68 ALA HA H 1 4.182 0 . . . . . . 68 ALA HA . 15180 1 602 . 1 1 68 68 ALA HB1 H 1 1.269 0 . . . . . . 68 ALA HB . 15180 1 603 . 1 1 68 68 ALA HB2 H 1 1.269 0 . . . . . . 68 ALA HB . 15180 1 604 . 1 1 68 68 ALA HB3 H 1 1.269 0 . . . . . . 68 ALA HB . 15180 1 605 . 1 1 68 68 ALA C C 13 178.108 0 . . . . . . 68 ALA C . 15180 1 606 . 1 1 68 68 ALA CA C 13 52.933 0 . . . . . . 68 ALA CA . 15180 1 607 . 1 1 68 68 ALA CB C 13 18.959 0 . . . . . . 68 ALA CB . 15180 1 608 . 1 1 68 68 ALA N N 15 126.11 0 . . . . . . 68 ALA N . 15180 1 609 . 1 1 69 69 GLU H H 1 8.219 0 . . . . . . 69 GLU H . 15180 1 610 . 1 1 69 69 GLU HA H 1 4.047 0 . . . . . . 69 GLU HA . 15180 1 611 . 1 1 69 69 GLU HB2 H 1 1.834 0 . . . . . . 69 GLU HB2 . 15180 1 612 . 1 1 69 69 GLU HB3 H 1 1.788 0 . . . . . . 69 GLU HB3 . 15180 1 613 . 1 1 69 69 GLU HG2 H 1 2.062 0 . . . . . . 69 GLU HG2 . 15180 1 614 . 1 1 69 69 GLU C C 13 176.626 0 . . . . . . 69 GLU C . 15180 1 615 . 1 1 69 69 GLU CA C 13 57.139 0 . . . . . . 69 GLU CA . 15180 1 616 . 1 1 69 69 GLU CB C 13 29.906 0 . . . . . . 69 GLU CB . 15180 1 617 . 1 1 69 69 GLU CG C 13 36.162 0 . . . . . . 69 GLU CG . 15180 1 618 . 1 1 69 69 GLU N N 15 119.238 0 . . . . . . 69 GLU N . 15180 1 619 . 1 1 70 70 TYR H H 1 7.894 0 . . . . . . 70 TYR H . 15180 1 620 . 1 1 70 70 TYR HA H 1 4.412 0 . . . . . . 70 TYR HA . 15180 1 621 . 1 1 70 70 TYR HB2 H 1 2.97 0 . . . . . . 70 TYR HB2 . 15180 1 622 . 1 1 70 70 TYR HB3 H 1 2.881 0 . . . . . . 70 TYR HB3 . 15180 1 623 . 1 1 70 70 TYR C C 13 176.019 0 . . . . . . 70 TYR C . 15180 1 624 . 1 1 70 70 TYR CA C 13 57.981 0 . . . . . . 70 TYR CA . 15180 1 625 . 1 1 70 70 TYR CB C 13 38.642 0 . . . . . . 70 TYR CB . 15180 1 626 . 1 1 70 70 TYR N N 15 120.226 0 . . . . . . 70 TYR N . 15180 1 627 . 1 1 71 71 GLU H H 1 8.11 0 . . . . . . 71 GLU H . 15180 1 628 . 1 1 71 71 GLU HA H 1 4.074 0 . . . . . . 71 GLU HA . 15180 1 629 . 1 1 71 71 GLU HB2 H 1 1.903 0 . . . . . . 71 GLU HB2 . 15180 1 630 . 1 1 71 71 GLU HB3 H 1 1.824 0 . . . . . . 71 GLU HB3 . 15180 1 631 . 1 1 71 71 GLU HG2 H 1 2.101 0 . . . . . . 71 GLU HG2 . 15180 1 632 . 1 1 71 71 GLU C C 13 176.694 0 . . . . . . 71 GLU C . 15180 1 633 . 1 1 71 71 GLU CA C 13 56.718 0 . . . . . . 71 GLU CA . 15180 1 634 . 1 1 71 71 GLU CB C 13 30.045 0 . . . . . . 71 GLU CB . 15180 1 635 . 1 1 71 71 GLU CG C 13 36.162 0 . . . . . . 71 GLU CG . 15180 1 636 . 1 1 71 71 GLU N N 15 121.536 0 . . . . . . 71 GLU N . 15180 1 637 . 1 1 72 72 LEU H H 1 7.996 0 . . . . . . 72 LEU H . 15180 1 638 . 1 1 72 72 LEU HA H 1 4.09 0 . . . . . . 72 LEU HA . 15180 1 639 . 1 1 72 72 LEU HB2 H 1 1.564 0 . . . . . . 72 LEU HB2 . 15180 1 640 . 1 1 72 72 LEU HB3 H 1 1.492 0 . . . . . . 72 LEU HB3 . 15180 1 641 . 1 1 72 72 LEU HD11 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 642 . 1 1 72 72 LEU HD12 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 643 . 1 1 72 72 LEU HD13 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 644 . 1 1 72 72 LEU HD21 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 645 . 1 1 72 72 LEU HD22 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 646 . 1 1 72 72 LEU HD23 H 1 0.789 0 . . . . . . 72 LEU QQD . 15180 1 647 . 1 1 72 72 LEU HG H 1 1.276 0 . . . . . . 72 LEU HG . 15180 1 648 . 1 1 72 72 LEU C C 13 177.817 0 . . . . . . 72 LEU C . 15180 1 649 . 1 1 72 72 LEU CA C 13 56.061 0 . . . . . . 72 LEU CA . 15180 1 650 . 1 1 72 72 LEU CB C 13 42.148 0 . . . . . . 72 LEU CB . 15180 1 651 . 1 1 72 72 LEU CD1 C 13 24.783 0 . . . . . . 72 LEU CD1 . 15180 1 652 . 1 1 72 72 LEU CD2 C 13 23.597 0 . . . . . . 72 LEU CD2 . 15180 1 653 . 1 1 72 72 LEU CG C 13 26.833 0 . . . . . . 72 LEU CG . 15180 1 654 . 1 1 72 72 LEU N N 15 122.508 0 . . . . . . 72 LEU N . 15180 1 655 . 1 1 73 73 GLU H H 1 8.197 0 . . . . . . 73 GLU H . 15180 1 656 . 1 1 73 73 GLU HA H 1 4.074 0 . . . . . . 73 GLU HA . 15180 1 657 . 1 1 73 73 GLU HB2 H 1 1.889 0 . . . . . . 73 GLU HB2 . 15180 1 658 . 1 1 73 73 GLU HG2 H 1 2.121 0 . . . . . . 73 GLU HG2 . 15180 1 659 . 1 1 73 73 GLU C C 13 176.601 0 . . . . . . 73 GLU C . 15180 1 660 . 1 1 73 73 GLU CA C 13 56.977 0 . . . . . . 73 GLU CA . 15180 1 661 . 1 1 73 73 GLU CB C 13 29.96 0 . . . . . . 73 GLU CB . 15180 1 662 . 1 1 73 73 GLU CG C 13 36.17 0 . . . . . . 73 GLU CG . 15180 1 663 . 1 1 73 73 GLU N N 15 120.435 0 . . . . . . 73 GLU N . 15180 1 664 . 1 1 74 74 LYS H H 1 8.06 0 . . . . . . 74 LYS H . 15180 1 665 . 1 1 74 74 LYS HA H 1 4.146 0 . . . . . . 74 LYS HA . 15180 1 666 . 1 1 74 74 LYS HB2 H 1 1.673 0 . . . . . . 74 LYS HB2 . 15180 1 667 . 1 1 74 74 LYS HB3 H 1 1.627 0 . . . . . . 74 LYS HB3 . 15180 1 668 . 1 1 74 74 LYS HD2 H 1 1.518 0 . . . . . . 74 LYS HD2 . 15180 1 669 . 1 1 74 74 LYS HG2 H 1 1.265 0 . . . . . . 74 LYS HG2 . 15180 1 670 . 1 1 74 74 LYS C C 13 176.517 0 . . . . . . 74 LYS C . 15180 1 671 . 1 1 74 74 LYS CA C 13 56.183 0 . . . . . . 74 LYS CA . 15180 1 672 . 1 1 74 74 LYS CB C 13 32.657 0 . . . . . . 74 LYS CB . 15180 1 673 . 1 1 74 74 LYS CD C 13 28.882 0 . . . . . . 74 LYS CD . 15180 1 674 . 1 1 74 74 LYS CE C 13 41.986 0 . . . . . . 74 LYS CE . 15180 1 675 . 1 1 74 74 LYS CG C 13 24.568 0 . . . . . . 74 LYS CG . 15180 1 676 . 1 1 74 74 LYS N N 15 121.86 0 . . . . . . 74 LYS N . 15180 1 677 . 1 1 75 75 ARG H H 1 8.18 0 . . . . . . 75 ARG H . 15180 1 678 . 1 1 75 75 ARG HA H 1 4.208 0 . . . . . . 75 ARG HA . 15180 1 679 . 1 1 75 75 ARG HB2 H 1 1.692 0 . . . . . . 75 ARG HB2 . 15180 1 680 . 1 1 75 75 ARG HB3 H 1 1.663 0 . . . . . . 75 ARG HB3 . 15180 1 681 . 1 1 75 75 ARG HD2 H 1 2.879 0 . . . . . . 75 ARG HD2 . 15180 1 682 . 1 1 75 75 ARG HG2 H 1 1.474 0 . . . . . . 75 ARG HG2 . 15180 1 683 . 1 1 75 75 ARG C C 13 176.328 0 . . . . . . 75 ARG C . 15180 1 684 . 1 1 75 75 ARG CA C 13 56.162 0 . . . . . . 75 ARG CA . 15180 1 685 . 1 1 75 75 ARG CB C 13 30.715 0 . . . . . . 75 ARG CB . 15180 1 686 . 1 1 75 75 ARG CD C 13 43.172 0 . . . . . . 75 ARG CD . 15180 1 687 . 1 1 75 75 ARG CG C 13 27.156 0 . . . . . . 75 ARG CG . 15180 1 688 . 1 1 75 75 ARG N N 15 122.762 0 . . . . . . 75 ARG N . 15180 1 689 . 1 1 76 76 VAL H H 1 8.134 0 . . . . . . 76 VAL H . 15180 1 690 . 1 1 76 76 VAL HA H 1 3.965 0 . . . . . . 76 VAL HA . 15180 1 691 . 1 1 76 76 VAL HB H 1 1.955 0 . . . . . . 76 VAL HB . 15180 1 692 . 1 1 76 76 VAL HG11 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 693 . 1 1 76 76 VAL HG12 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 694 . 1 1 76 76 VAL HG13 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 695 . 1 1 76 76 VAL HG21 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 696 . 1 1 76 76 VAL HG22 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 697 . 1 1 76 76 VAL HG23 H 1 0.828 0 . . . . . . 76 VAL QQG . 15180 1 698 . 1 1 76 76 VAL C C 13 176.122 0 . . . . . . 76 VAL C . 15180 1 699 . 1 1 76 76 VAL CA C 13 62.878 0 . . . . . . 76 VAL CA . 15180 1 700 . 1 1 76 76 VAL CB C 13 32.02 0 . . . . . . 76 VAL CB . 15180 1 701 . 1 1 76 76 VAL CG1 C 13 21.032 0 . . . . . . 76 VAL CG1 . 15180 1 702 . 1 1 76 76 VAL CG2 C 13 20.846 0 . . . . . . 76 VAL CG2 . 15180 1 703 . 1 1 76 76 VAL N N 15 122.091 0 . . . . . . 76 VAL N . 15180 1 704 . 1 1 77 77 GLU H H 1 8.371 0 . . . . . . 77 GLU H . 15180 1 705 . 1 1 77 77 GLU HA H 1 4.328 0 . . . . . . 77 GLU HA . 15180 1 706 . 1 1 77 77 GLU HB2 H 1 1.978 0 . . . . . . 77 GLU HB2 . 15180 1 707 . 1 1 77 77 GLU HB3 H 1 1.834 0 . . . . . . 77 GLU HB3 . 15180 1 708 . 1 1 77 77 GLU HG2 H 1 2.132 0 . . . . . . 77 GLU HG2 . 15180 1 709 . 1 1 77 77 GLU C C 13 175.699 0 . . . . . . 77 GLU C . 15180 1 710 . 1 1 77 77 GLU CA C 13 55.427 0 . . . . . . 77 GLU CA . 15180 1 711 . 1 1 77 77 GLU CB C 13 30.392 0 . . . . . . 77 GLU CB . 15180 1 712 . 1 1 77 77 GLU CG C 13 36.144 0 . . . . . . 77 GLU CG . 15180 1 713 . 1 1 77 77 GLU N N 15 125.322 0 . . . . . . 77 GLU N . 15180 1 714 . 1 1 78 78 ARG H H 1 8.258 0 . . . . . . 78 ARG H . 15180 1 715 . 1 1 78 78 ARG HA H 1 4.238 0 . . . . . . 78 ARG HA . 15180 1 716 . 1 1 78 78 ARG HB2 H 1 1.732 0 . . . . . . 78 ARG HB2 . 15180 1 717 . 1 1 78 78 ARG HB3 H 1 1.643 0 . . . . . . 78 ARG HB3 . 15180 1 718 . 1 1 78 78 ARG HG2 H 1 1.488 0 . . . . . . 78 ARG HG2 . 15180 1 719 . 1 1 78 78 ARG C C 13 175.776 0 . . . . . . 78 ARG C . 15180 1 720 . 1 1 78 78 ARG CA C 13 55.737 0 . . . . . . 78 ARG CA . 15180 1 721 . 1 1 78 78 ARG CB C 13 30.823 0 . . . . . . 78 ARG CB . 15180 1 722 . 1 1 78 78 ARG CD C 13 43.28 0 . . . . . . 78 ARG CD . 15180 1 723 . 1 1 78 78 ARG CG C 13 27.156 0 . . . . . . 78 ARG CG . 15180 1 724 . 1 1 78 78 ARG N N 15 120.795 0 . . . . . . 78 ARG N . 15180 1 725 . 1 1 79 79 LEU H H 1 8.268 0 . . . . . . 79 LEU H . 15180 1 726 . 1 1 79 79 LEU HA H 1 4.258 0 . . . . . . 79 LEU HA . 15180 1 727 . 1 1 79 79 LEU HB2 H 1 1.522 0 . . . . . . 79 LEU HB2 . 15180 1 728 . 1 1 79 79 LEU HB3 H 1 1.466 0 . . . . . . 79 LEU HB3 . 15180 1 729 . 1 1 79 79 LEU HD11 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 730 . 1 1 79 79 LEU HD12 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 731 . 1 1 79 79 LEU HD13 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 732 . 1 1 79 79 LEU HD21 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 733 . 1 1 79 79 LEU HD22 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 734 . 1 1 79 79 LEU HD23 H 1 0.781 0 . . . . . . 79 LEU QQD . 15180 1 735 . 1 1 79 79 LEU C C 13 176.957 0 . . . . . . 79 LEU C . 15180 1 736 . 1 1 79 79 LEU CA C 13 54.989 0 . . . . . . 79 LEU CA . 15180 1 737 . 1 1 79 79 LEU CB C 13 42.309 0 . . . . . . 79 LEU CB . 15180 1 738 . 1 1 79 79 LEU CD1 C 13 24.783 0 . . . . . . 79 LEU CD1 . 15180 1 739 . 1 1 79 79 LEU CD2 C 13 23.435 0 . . . . . . 79 LEU CD2 . 15180 1 740 . 1 1 79 79 LEU CG C 13 26.994 0 . . . . . . 79 LEU CG . 15180 1 741 . 1 1 79 79 LEU N N 15 124.45 0 . . . . . . 79 LEU N . 15180 1 742 . 1 1 80 80 GLU H H 1 8.302 0 . . . . . . 80 GLU H . 15180 1 743 . 1 1 80 80 GLU HA H 1 4.228 0 . . . . . . 80 GLU HA . 15180 1 744 . 1 1 80 80 GLU HB2 H 1 1.955 0 . . . . . . 80 GLU HB2 . 15180 1 745 . 1 1 80 80 GLU HB3 H 1 1.791 0 . . . . . . 80 GLU HB3 . 15180 1 746 . 1 1 80 80 GLU HG2 H 1 2.14 0 . . . . . . 80 GLU HG2 . 15180 1 747 . 1 1 80 80 GLU C C 13 175.159 0 . . . . . . 80 GLU C . 15180 1 748 . 1 1 80 80 GLU CA C 13 56.114 0 . . . . . . 80 GLU CA . 15180 1 749 . 1 1 80 80 GLU CB C 13 30.23 0 . . . . . . 80 GLU CB . 15180 1 750 . 1 1 80 80 GLU CG C 13 36.054 0 . . . . . . 80 GLU CG . 15180 1 751 . 1 1 80 80 GLU N N 15 122.632 0 . . . . . . 80 GLU N . 15180 1 752 . 1 1 81 81 LEU H H 1 7.811 0 . . . . . . 81 LEU H . 15180 1 753 . 1 1 81 81 LEU HA H 1 4.19 0 . . . . . . 81 LEU HA . 15180 1 754 . 1 1 81 81 LEU HB2 H 1 1.472 0 . . . . . . 81 LEU HB2 . 15180 1 755 . 1 1 81 81 LEU C C 13 177.272 0 . . . . . . 81 LEU C . 15180 1 756 . 1 1 81 81 LEU CA C 13 56.533 0 . . . . . . 81 LEU CA . 15180 1 757 . 1 1 81 81 LEU CB C 13 43.334 0 . . . . . . 81 LEU CB . 15180 1 758 . 1 1 81 81 LEU N N 15 129.324 0 . . . . . . 81 LEU N . 15180 1 stop_ save_