data_15430 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15430 _Entry.Title ; The chemical shift assignment of gamma subunit of phosphodiesterase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-14 _Entry.Accession_date 2007-08-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The deposited chemical shifts were assigned only for the protein A68-PDEgamma, in which no paramagnetic relaxation enhancement probe was added. The structures deposited in PDB (2ju4) were calculated using the combined distance restraints derived from ten single PDEgamma mutants (on each mutant a native residue was replaced by the 3-maleimido-PROXYL-cysteine residue). As a result, the PDB structures contain 10 mutated residues which do not coexist in the process of NMR structure determination. ; _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 Jikui Song . . . 15430 2 Lian-Wang Guo . . . 15430 3 Arnold Ruoho . E. . 15430 4 John Markley . L. . 15430 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15430 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 15430 '15N chemical shifts' 77 15430 '1H chemical shifts' 443 15430 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 4 . . 2010-05-26 2007-08-14 update BMRB 'update entity name' 15430 3 . . 2009-06-18 2007-08-14 update BMRB 'added time domain data' 15430 2 . . 2008-07-28 2007-08-14 update BMRB 'complete entry citation' 15430 1 . . 2007-08-20 2007-08-14 original author 'original release' 15430 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JU4 'BMRB Entry Tracking System' 15430 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15430 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18230733 _Citation.Full_citation . _Citation.Title 'Intrinsically disordered gamma-subunit of cGMP phosphodiesterase encodes functionally relevant transient secondary and tertiary structure' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 5 _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 1505 _Citation.Page_last 1510 _Citation.Year 2008 _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 Jikui Song . . . 15430 1 2 Lian-Wang Guo . . . 15430 1 3 Hakim Muradov . . . 15430 1 4 Nikolai Artemyev . O. . 15430 1 5 Arnold Ruoho . E. . 15430 1 6 John Markley . L. . 15430 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15430 _Assembly.ID 1 _Assembly.Name PDEgamma _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 PDEgamma 1 $entity A . yes native no no . . . 15430 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15430 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDEgamma _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 ; MNLEPPKAEIRSATRVMGGP VTPRKGPPKFKQRQTRQFKS KPPKKGVQGFGDDIPGMEGL GTDITVIAPWEAFNHLELHE LAQYGII ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13286.163 _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 EMBL CAA27821 . "unnamed protein product [Bos taurus]" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 1 2 no EMBL CAA28507 . "unnamed protein product [Bos taurus]" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 1 3 no EMBL CAA93815 . "cGMP-phosphodiesterase gamma subunit [Canis lupus familiaris]" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 4 no EMBL CAD10146 . "cGMP phosphodiesterase gamma subunit [Felis catus]" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 5 no GB AAA61950 . "cGMP phosphodiesterase gamma inhibitory subunit [synthetic construct]" . . . . . 100.00 87 97.70 97.70 6.47e-54 . . . . 15430 1 6 no GB AAB00116 . "cyclic-GMP phosphodiesterase gamma subunit [Canis lupus familiaris]" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 7 no GB AAB40379 . "cyclic-GMP phosphodiesterase gamma subunit [Canis lupus familiaris]" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 8 no GB EDM06834 . "rCG33796, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 87 97.70 98.85 1.32e-54 . . . . 15430 1 9 no GB EDM06835 . "rCG33796, isoform CRA_b [Rattus norvegicus]" . . . . . 100.00 87 97.70 98.85 1.32e-54 . . . . 15430 1 10 no PRF 1212259A . "phosphodiesterase gamma,cGMP" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 1 11 no REF NP_001003235 . "retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Canis lupus familiaris]" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 12 no REF NP_776846 . "retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Bos taurus]" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 1 13 no REF XP_001081804 . "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Rattus norvegicus]" . . . . . 100.00 87 97.70 98.85 1.32e-54 . . . . 15430 1 14 no REF XP_001081805 . "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Rattus norvegicus]" . . . . . 100.00 87 97.70 98.85 1.32e-54 . . . . 15430 1 15 no REF XP_001488767 . "PREDICTED: retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma [Equus caballus]" . . . . . 100.00 87 97.70 97.70 3.51e-54 . . . . 15430 1 16 no SP P04972 . "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 1 17 no SP P54827 . "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 18 no SP P61248 . "RecName: Full=Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma; Short=GMP-PDE gamma" . . . . . 100.00 87 97.70 98.85 2.27e-54 . . . . 15430 1 19 no TPG DAA18226 . "TPA: phosphodiesterase 6G [Bos taurus]" . . . . . 100.00 87 98.85 98.85 4.94e-55 . . . . 15430 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 . MET . 15430 1 2 . ASN . 15430 1 3 . LEU . 15430 1 4 . GLU . 15430 1 5 . PRO . 15430 1 6 . PRO . 15430 1 7 . LYS . 15430 1 8 . ALA . 15430 1 9 . GLU . 15430 1 10 . ILE . 15430 1 11 . ARG . 15430 1 12 . SER . 15430 1 13 . ALA . 15430 1 14 . THR . 15430 1 15 . ARG . 15430 1 16 . VAL . 15430 1 17 . MET . 15430 1 18 . GLY . 15430 1 19 . GLY . 15430 1 20 . PRO . 15430 1 21 . VAL . 15430 1 22 . THR . 15430 1 23 . PRO . 15430 1 24 . ARG . 15430 1 25 . LYS . 15430 1 26 . GLY . 15430 1 27 . PRO . 15430 1 28 . PRO . 15430 1 29 . LYS . 15430 1 30 . PHE . 15430 1 31 . LYS . 15430 1 32 . GLN . 15430 1 33 . ARG . 15430 1 34 . GLN . 15430 1 35 . THR . 15430 1 36 . ARG . 15430 1 37 . GLN . 15430 1 38 . PHE . 15430 1 39 . LYS . 15430 1 40 . SER . 15430 1 41 . LYS . 15430 1 42 . PRO . 15430 1 43 . PRO . 15430 1 44 . LYS . 15430 1 45 . LYS . 15430 1 46 . GLY . 15430 1 47 . VAL . 15430 1 48 . GLN . 15430 1 49 . GLY . 15430 1 50 . PHE . 15430 1 51 . GLY . 15430 1 52 . ASP . 15430 1 53 . ASP . 15430 1 54 . ILE . 15430 1 55 . PRO . 15430 1 56 . GLY . 15430 1 57 . MET . 15430 1 58 . GLU . 15430 1 59 . GLY . 15430 1 60 . LEU . 15430 1 61 . GLY . 15430 1 62 . THR . 15430 1 63 . ASP . 15430 1 64 . ILE . 15430 1 65 . THR . 15430 1 66 . VAL . 15430 1 67 . ILE . 15430 1 68 . ALA . 15430 1 69 . PRO . 15430 1 70 . TRP . 15430 1 71 . GLU . 15430 1 72 . ALA . 15430 1 73 . PHE . 15430 1 74 . ASN . 15430 1 75 . HIS . 15430 1 76 . LEU . 15430 1 77 . GLU . 15430 1 78 . LEU . 15430 1 79 . HIS . 15430 1 80 . GLU . 15430 1 81 . LEU . 15430 1 82 . ALA . 15430 1 83 . GLN . 15430 1 84 . TYR . 15430 1 85 . GLY . 15430 1 86 . ILE . 15430 1 87 . ILE . 15430 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15430 1 . ASN 2 2 15430 1 . LEU 3 3 15430 1 . GLU 4 4 15430 1 . PRO 5 5 15430 1 . PRO 6 6 15430 1 . LYS 7 7 15430 1 . ALA 8 8 15430 1 . GLU 9 9 15430 1 . ILE 10 10 15430 1 . ARG 11 11 15430 1 . SER 12 12 15430 1 . ALA 13 13 15430 1 . THR 14 14 15430 1 . ARG 15 15 15430 1 . VAL 16 16 15430 1 . MET 17 17 15430 1 . GLY 18 18 15430 1 . GLY 19 19 15430 1 . PRO 20 20 15430 1 . VAL 21 21 15430 1 . THR 22 22 15430 1 . PRO 23 23 15430 1 . ARG 24 24 15430 1 . LYS 25 25 15430 1 . GLY 26 26 15430 1 . PRO 27 27 15430 1 . PRO 28 28 15430 1 . LYS 29 29 15430 1 . PHE 30 30 15430 1 . LYS 31 31 15430 1 . GLN 32 32 15430 1 . ARG 33 33 15430 1 . GLN 34 34 15430 1 . THR 35 35 15430 1 . ARG 36 36 15430 1 . GLN 37 37 15430 1 . PHE 38 38 15430 1 . LYS 39 39 15430 1 . SER 40 40 15430 1 . LYS 41 41 15430 1 . PRO 42 42 15430 1 . PRO 43 43 15430 1 . LYS 44 44 15430 1 . LYS 45 45 15430 1 . GLY 46 46 15430 1 . VAL 47 47 15430 1 . GLN 48 48 15430 1 . GLY 49 49 15430 1 . PHE 50 50 15430 1 . GLY 51 51 15430 1 . ASP 52 52 15430 1 . ASP 53 53 15430 1 . ILE 54 54 15430 1 . PRO 55 55 15430 1 . GLY 56 56 15430 1 . MET 57 57 15430 1 . GLU 58 58 15430 1 . GLY 59 59 15430 1 . LEU 60 60 15430 1 . GLY 61 61 15430 1 . THR 62 62 15430 1 . ASP 63 63 15430 1 . ILE 64 64 15430 1 . THR 65 65 15430 1 . VAL 66 66 15430 1 . ILE 67 67 15430 1 . ALA 68 68 15430 1 . PRO 69 69 15430 1 . TRP 70 70 15430 1 . GLU 71 71 15430 1 . ALA 72 72 15430 1 . PHE 73 73 15430 1 . ASN 74 74 15430 1 . HIS 75 75 15430 1 . LEU 76 76 15430 1 . GLU 77 77 15430 1 . LEU 78 78 15430 1 . HIS 79 79 15430 1 . GLU 80 80 15430 1 . LEU 81 81 15430 1 . ALA 82 82 15430 1 . GLN 83 83 15430 1 . TYR 84 84 15430 1 . GLY 85 85 15430 1 . ILE 86 86 15430 1 . ILE 87 87 15430 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 15430 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15430 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 15430 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTXBI . . . . . . 15430 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15430 _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 PDEgamma '[U-100% 15N]' . . 1 $entity . . 0.05 . . mM . . . . 15430 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15430 _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 PDEgamma '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.09 . . mM . . . . 15430 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15430 _Sample.ID 3 _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 PROXYL-PDEgamma [U-15N] . . 1 $entity . . 0.05 . . mM . . . . 15430 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15430 _Sample.ID 4 _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 PROXYL-PDEgamma '[U-100% 15N]' . . 1 $entity . . 0.05 . . mM . . . . 15430 4 2 'Ascorbic Acid' 'natural abundance' . . . . . . 5 . . mM . . . . 15430 4 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 15430 _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 . M 15430 1 pH 4 0.2 pH 15430 1 pressure 1 . atm 15430 1 temperature 298 0.1 K 15430 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15430 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15430 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15430 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15430 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15430 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15430 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15430 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15430 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15430 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15430 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15430 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15430 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15430 _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 DMX . 600 . . . 15430 1 2 spectrometer_2 Bruker DMX . 750 . . . 15430 1 3 spectrometer_3 Varian INOVA . 600 . . . 15430 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 15430 _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' yes 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 2 '3D HCCH-TOCSY' yes 2 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 4 '3D HNCACB' yes 3 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 5 '3D HBHA(CO)NH' yes 4 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 6 '3D H(CCO)NH' yes 5 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 8 '3D HNCO' yes 6 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 9 '3D HNHA' yes 7 . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 10 '2D 1H-15N HSQC' yes 8 . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 1 11 '2D 1H-15N HSQC' yes 9 . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15430 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 15430 _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 . . . 1 $entry_citation . . 1 $entry_citation 15430 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15430 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15430 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 15430 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15430 1 2 '3D HCCH-TOCSY' . . . 15430 1 3 '3D CBCA(CO)NH' . . . 15430 1 4 '3D HNCACB' . . . 15430 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 MET HA H 1 4.143 0.05 . . . . . . 1 M HA . 15430 1 2 . 1 1 1 1 MET HB3 H 1 2.186 0.05 . . . . . . 1 M HB3 . 15430 1 3 . 1 1 1 1 MET HG3 H 1 2.588 0.05 . . . . . . 1 M HG3 . 15430 1 4 . 1 1 1 1 MET C C 13 171.869 0.15 . . . . . . 1 M C . 15430 1 5 . 1 1 1 1 MET CA C 13 55.126 0.15 . . . . . . 1 M CA . 15430 1 6 . 1 1 1 1 MET CB C 13 32.837 0.15 . . . . . . 1 M CB . 15430 1 7 . 1 1 1 1 MET CG C 13 34.026 0.15 . . . . . . 1 M CG . 15430 1 8 . 1 1 2 2 ASN H H 1 8.929 0.05 . . . . . . 2 N H . 15430 1 9 . 1 1 2 2 ASN HA H 1 4.808 0.05 . . . . . . 2 N HA . 15430 1 10 . 1 1 2 2 ASN HB3 H 1 2.771 0.05 . . . . . . 2 N HB3 . 15430 1 11 . 1 1 2 2 ASN C C 13 174.442 0.15 . . . . . . 2 N C . 15430 1 12 . 1 1 2 2 ASN CA C 13 53.240 0.15 . . . . . . 2 N CA . 15430 1 13 . 1 1 2 2 ASN CB C 13 38.969 0.15 . . . . . . 2 N CB . 15430 1 14 . 1 1 2 2 ASN N N 15 122.491 0.15 . . . . . . 2 N N . 15430 1 15 . 1 1 3 3 LEU H H 1 8.501 0.05 . . . . . . 3 L H . 15430 1 16 . 1 1 3 3 LEU HA H 1 4.391 0.05 . . . . . . 3 L HA . 15430 1 17 . 1 1 3 3 LEU HB2 H 1 1.611 0.05 . . . . . . 3 L HB2 . 15430 1 18 . 1 1 3 3 LEU HD11 H 1 0.878 0.05 . . . . . . 3 L QD1 . 15430 1 19 . 1 1 3 3 LEU HD12 H 1 0.878 0.05 . . . . . . 3 L QD1 . 15430 1 20 . 1 1 3 3 LEU HD13 H 1 0.878 0.05 . . . . . . 3 L QD1 . 15430 1 21 . 1 1 3 3 LEU HD21 H 1 0.936 0.05 . . . . . . 3 L QD2 . 15430 1 22 . 1 1 3 3 LEU HD22 H 1 0.936 0.05 . . . . . . 3 L QD2 . 15430 1 23 . 1 1 3 3 LEU HD23 H 1 0.936 0.05 . . . . . . 3 L QD2 . 15430 1 24 . 1 1 3 3 LEU C C 13 176.918 0.15 . . . . . . 3 L C . 15430 1 25 . 1 1 3 3 LEU CA C 13 55.132 0.15 . . . . . . 3 L CA . 15430 1 26 . 1 1 3 3 LEU CB C 13 42.399 0.15 . . . . . . 3 L CB . 15430 1 27 . 1 1 3 3 LEU CD1 C 13 23.426 0.15 . . . . . . 3 L CD1 . 15430 1 28 . 1 1 3 3 LEU CD2 C 13 24.983 0.15 . . . . . . 3 L CD2 . 15430 1 29 . 1 1 3 3 LEU N N 15 123.911 0.15 . . . . . . 3 L N . 15430 1 30 . 1 1 4 4 GLU H H 1 8.366 0.05 . . . . . . 4 E H . 15430 1 31 . 1 1 4 4 GLU CA C 13 53.784 0.15 . . . . . . 4 E CA . 15430 1 32 . 1 1 4 4 GLU CB C 13 29.042 0.15 . . . . . . 4 E CB . 15430 1 33 . 1 1 4 4 GLU N N 15 123.000 0.15 . . . . . . 4 E N . 15430 1 34 . 1 1 6 6 PRO HA H 1 4.418 0.05 . . . . . . 6 P HA . 15430 1 35 . 1 1 6 6 PRO HB2 H 1 2.196 0.05 . . . . . . 6 P HB2 . 15430 1 36 . 1 1 6 6 PRO HB3 H 1 2.250 0.05 . . . . . . 6 P HB3 . 15430 1 37 . 1 1 6 6 PRO HD2 H 1 3.859 0.05 . . . . . . 6 P HD2 . 15430 1 38 . 1 1 6 6 PRO C C 13 176.966 0.15 . . . . . . 6 P C . 15430 1 39 . 1 1 6 6 PRO CA C 13 62.919 0.15 . . . . . . 6 P CA . 15430 1 40 . 1 1 6 6 PRO CB C 13 32.158 0.15 . . . . . . 6 P CB . 15430 1 41 . 1 1 6 6 PRO CG C 13 27.229 0.15 . . . . . . 6 P CG . 15430 1 42 . 1 1 7 7 LYS H H 1 8.372 0.05 . . . . . . 7 K H . 15430 1 43 . 1 1 7 7 LYS HA H 1 4.270 0.05 . . . . . . 7 K HA . 15430 1 44 . 1 1 7 7 LYS HB3 H 1 1.814 0.05 . . . . . . 7 K HB3 . 15430 1 45 . 1 1 7 7 LYS HD3 H 1 1.739 0.05 . . . . . . 7 K HD3 . 15430 1 46 . 1 1 7 7 LYS HE3 H 1 3.014 0.05 . . . . . . 7 K HE3 . 15430 1 47 . 1 1 7 7 LYS HG3 H 1 1.473 0.05 . . . . . . 7 K HG3 . 15430 1 48 . 1 1 7 7 LYS C C 13 176.435 0.15 . . . . . . 7 K C . 15430 1 49 . 1 1 7 7 LYS CA C 13 56.299 0.15 . . . . . . 7 K CA . 15430 1 50 . 1 1 7 7 LYS CB C 13 33.165 0.15 . . . . . . 7 K CB . 15430 1 51 . 1 1 7 7 LYS CD C 13 28.933 0.15 . . . . . . 7 K CD . 15430 1 52 . 1 1 7 7 LYS CE C 13 40.230 0.15 . . . . . . 7 K CE . 15430 1 53 . 1 1 7 7 LYS CG C 13 24.716 0.15 . . . . . . 7 K CG . 15430 1 54 . 1 1 7 7 LYS N N 15 121.727 0.15 . . . . . . 7 K N . 15430 1 55 . 1 1 8 8 ALA H H 1 8.352 0.05 . . . . . . 8 A H . 15430 1 56 . 1 1 8 8 ALA HA H 1 4.317 0.05 . . . . . . 8 A HA . 15430 1 57 . 1 1 8 8 ALA C C 13 177.527 0.15 . . . . . . 8 A C . 15430 1 58 . 1 1 8 8 ALA CA C 13 52.397 0.15 . . . . . . 8 A CA . 15430 1 59 . 1 1 8 8 ALA CB C 13 19.340 0.15 . . . . . . 8 A CB . 15430 1 60 . 1 1 8 8 ALA N N 15 125.285 0.15 . . . . . . 8 A N . 15430 1 61 . 1 1 9 9 GLU H H 1 8.397 0.05 . . . . . . 9 E H . 15430 1 62 . 1 1 9 9 GLU HA H 1 4.330 0.05 . . . . . . 9 E HA . 15430 1 63 . 1 1 9 9 GLU HB3 H 1 1.995 0.05 . . . . . . 9 E HB3 . 15430 1 64 . 1 1 9 9 GLU HG2 H 1 2.357 0.05 . . . . . . 9 E HG2 . 15430 1 65 . 1 1 9 9 GLU C C 13 176.183 0.15 . . . . . . 9 E C . 15430 1 66 . 1 1 9 9 GLU CA C 13 56.014 0.15 . . . . . . 9 E CA . 15430 1 67 . 1 1 9 9 GLU CB C 13 29.784 0.15 . . . . . . 9 E CB . 15430 1 68 . 1 1 9 9 GLU CG C 13 34.679 0.15 . . . . . . 9 E CG . 15430 1 69 . 1 1 9 9 GLU N N 15 120.598 0.15 . . . . . . 9 E N . 15430 1 70 . 1 1 10 10 ILE H H 1 8.289 0.05 . . . . . . 10 I H . 15430 1 71 . 1 1 10 10 ILE HA H 1 4.166 0.05 . . . . . . 10 I HA . 15430 1 72 . 1 1 10 10 ILE HB H 1 1.880 0.05 . . . . . . 10 I HB . 15430 1 73 . 1 1 10 10 ILE HD11 H 1 0.859 0.05 . . . . . . 10 I QD1 . 15430 1 74 . 1 1 10 10 ILE HD12 H 1 0.859 0.05 . . . . . . 10 I QD1 . 15430 1 75 . 1 1 10 10 ILE HD13 H 1 0.859 0.05 . . . . . . 10 I QD1 . 15430 1 76 . 1 1 10 10 ILE HG12 H 1 1.214 0.05 . . . . . . 10 I HG12 . 15430 1 77 . 1 1 10 10 ILE HG13 H 1 1.501 0.05 . . . . . . 10 I HG13 . 15430 1 78 . 1 1 10 10 ILE HG21 H 1 0.913 0.05 . . . . . . 10 I QG2 . 15430 1 79 . 1 1 10 10 ILE HG22 H 1 0.913 0.05 . . . . . . 10 I QG2 . 15430 1 80 . 1 1 10 10 ILE HG23 H 1 0.913 0.05 . . . . . . 10 I QG2 . 15430 1 81 . 1 1 10 10 ILE C C 13 176.308 0.15 . . . . . . 10 I C . 15430 1 82 . 1 1 10 10 ILE CA C 13 61.279 0.15 . . . . . . 10 I CA . 15430 1 83 . 1 1 10 10 ILE CB C 13 38.666 0.15 . . . . . . 10 I CB . 15430 1 84 . 1 1 10 10 ILE CD1 C 13 12.714 0.15 . . . . . . 10 I CD1 . 15430 1 85 . 1 1 10 10 ILE CG1 C 13 27.278 0.15 . . . . . . 10 I CG1 . 15430 1 86 . 1 1 10 10 ILE CG2 C 13 17.530 0.15 . . . . . . 10 I CG2 . 15430 1 87 . 1 1 10 10 ILE N N 15 123.217 0.15 . . . . . . 10 I N . 15430 1 88 . 1 1 11 11 ARG H H 1 8.511 0.05 . . . . . . 11 R H . 15430 1 89 . 1 1 11 11 ARG HA H 1 4.412 0.05 . . . . . . 11 R HA . 15430 1 90 . 1 1 11 11 ARG HB3 H 1 1.811 0.05 . . . . . . 11 R HB3 . 15430 1 91 . 1 1 11 11 ARG HD3 H 1 3.204 0.05 . . . . . . 11 R HD3 . 15430 1 92 . 1 1 11 11 ARG HG3 H 1 1.641 0.05 . . . . . . 11 R HG3 . 15430 1 93 . 1 1 11 11 ARG C C 13 176.192 0.15 . . . . . . 11 R C . 15430 1 94 . 1 1 11 11 ARG CA C 13 55.838 0.15 . . . . . . 11 R CA . 15430 1 95 . 1 1 11 11 ARG CB C 13 30.942 0.15 . . . . . . 11 R CB . 15430 1 96 . 1 1 11 11 ARG CD C 13 41.958 0.15 . . . . . . 11 R CD . 15430 1 97 . 1 1 11 11 ARG CG C 13 27.206 0.15 . . . . . . 11 R CG . 15430 1 98 . 1 1 11 11 ARG N N 15 125.820 0.15 . . . . . . 11 R N . 15430 1 99 . 1 1 12 12 SER H H 1 8.358 0.05 . . . . . . 12 S H . 15430 1 100 . 1 1 12 12 SER HA H 1 4.440 0.05 . . . . . . 12 S HA . 15430 1 101 . 1 1 12 12 SER HB2 H 1 3.874 0.05 . . . . . . 12 S HB2 . 15430 1 102 . 1 1 12 12 SER C C 13 174.314 0.15 . . . . . . 12 S C . 15430 1 103 . 1 1 12 12 SER CA C 13 58.228 0.15 . . . . . . 12 S CA . 15430 1 104 . 1 1 12 12 SER CB C 13 63.909 0.15 . . . . . . 12 S CB . 15430 1 105 . 1 1 12 12 SER N N 15 117.445 0.15 . . . . . . 12 S N . 15430 1 106 . 1 1 13 13 ALA H H 1 8.477 0.05 . . . . . . 13 A H . 15430 1 107 . 1 1 13 13 ALA HA H 1 4.415 0.05 . . . . . . 13 A HA . 15430 1 108 . 1 1 13 13 ALA HB1 H 1 1.437 0.05 . . . . . . 13 A QB . 15430 1 109 . 1 1 13 13 ALA HB2 H 1 1.437 0.05 . . . . . . 13 A QB . 15430 1 110 . 1 1 13 13 ALA HB3 H 1 1.437 0.05 . . . . . . 13 A QB . 15430 1 111 . 1 1 13 13 ALA C C 13 177.851 0.15 . . . . . . 13 A C . 15430 1 112 . 1 1 13 13 ALA CA C 13 52.717 0.15 . . . . . . 13 A CA . 15430 1 113 . 1 1 13 13 ALA CB C 13 19.383 0.15 . . . . . . 13 A CB . 15430 1 114 . 1 1 13 13 ALA N N 15 126.365 0.15 . . . . . . 13 A N . 15430 1 115 . 1 1 14 14 THR H H 1 8.156 0.05 . . . . . . 14 T H . 15430 1 116 . 1 1 14 14 THR HA H 1 4.297 0.05 . . . . . . 14 T HA . 15430 1 117 . 1 1 14 14 THR HB H 1 4.193 0.05 . . . . . . 14 T HB . 15430 1 118 . 1 1 14 14 THR HG21 H 1 1.219 0.05 . . . . . . 14 T QG2 . 15430 1 119 . 1 1 14 14 THR HG22 H 1 1.219 0.05 . . . . . . 14 T QG2 . 15430 1 120 . 1 1 14 14 THR HG23 H 1 1.219 0.05 . . . . . . 14 T QG2 . 15430 1 121 . 1 1 14 14 THR C C 13 174.373 0.15 . . . . . . 14 T C . 15430 1 122 . 1 1 14 14 THR CA C 13 62.074 0.15 . . . . . . 14 T CA . 15430 1 123 . 1 1 14 14 THR CB C 13 69.773 0.15 . . . . . . 14 T CB . 15430 1 124 . 1 1 14 14 THR CG2 C 13 21.724 0.15 . . . . . . 14 T CG2 . 15430 1 125 . 1 1 14 14 THR N N 15 113.921 0.15 . . . . . . 14 T N . 15430 1 126 . 1 1 15 15 ARG H H 1 8.350 0.05 . . . . . . 15 R H . 15430 1 127 . 1 1 15 15 ARG HA H 1 4.390 0.05 . . . . . . 15 R HA . 15430 1 128 . 1 1 15 15 ARG HB3 H 1 1.804 0.05 . . . . . . 15 R HB3 . 15430 1 129 . 1 1 15 15 ARG HD3 H 1 3.197 0.05 . . . . . . 15 R HD3 . 15430 1 130 . 1 1 15 15 ARG HG2 H 1 1.795 0.05 . . . . . . 15 R HG2 . 15430 1 131 . 1 1 15 15 ARG HG3 H 1 1.627 0.05 . . . . . . 15 R HG3 . 15430 1 132 . 1 1 15 15 ARG C C 13 175.896 0.15 . . . . . . 15 R C . 15430 1 133 . 1 1 15 15 ARG CA C 13 56.053 0.15 . . . . . . 15 R CA . 15430 1 134 . 1 1 15 15 ARG CB C 13 30.979 0.15 . . . . . . 15 R CB . 15430 1 135 . 1 1 15 15 ARG CD C 13 43.415 0.15 . . . . . . 15 R CD . 15430 1 136 . 1 1 15 15 ARG CG C 13 27.054 0.15 . . . . . . 15 R CG . 15430 1 137 . 1 1 15 15 ARG N N 15 124.199 0.15 . . . . . . 15 R N . 15430 1 138 . 1 1 16 16 VAL H H 1 8.300 0.05 . . . . . . 16 V H . 15430 1 139 . 1 1 16 16 VAL HA H 1 4.103 0.05 . . . . . . 16 V HA . 15430 1 140 . 1 1 16 16 VAL HB H 1 2.057 0.05 . . . . . . 16 V HB . 15430 1 141 . 1 1 16 16 VAL HG21 H 1 0.949 0.05 . . . . . . 16 V QG2 . 15430 1 142 . 1 1 16 16 VAL HG22 H 1 0.949 0.05 . . . . . . 16 V QG2 . 15430 1 143 . 1 1 16 16 VAL HG23 H 1 0.949 0.05 . . . . . . 16 V QG2 . 15430 1 144 . 1 1 16 16 VAL C C 13 176.195 0.15 . . . . . . 16 V C . 15430 1 145 . 1 1 16 16 VAL CA C 13 62.447 0.15 . . . . . . 16 V CA . 15430 1 146 . 1 1 16 16 VAL CB C 13 32.808 0.15 . . . . . . 16 V CB . 15430 1 147 . 1 1 16 16 VAL CG2 C 13 20.752 0.15 . . . . . . 16 V CG2 . 15430 1 148 . 1 1 16 16 VAL N N 15 122.659 0.15 . . . . . . 16 V N . 15430 1 149 . 1 1 17 17 MET H H 1 8.574 0.05 . . . . . . 17 M H . 15430 1 150 . 1 1 17 17 MET HA H 1 4.564 0.05 . . . . . . 17 M HA . 15430 1 151 . 1 1 17 17 MET HB2 H 1 2.082 0.05 . . . . . . 17 M HB2 . 15430 1 152 . 1 1 17 17 MET HG3 H 1 2.585 0.05 . . . . . . 17 M HG3 . 15430 1 153 . 1 1 17 17 MET C C 13 176.459 0.15 . . . . . . 17 M C . 15430 1 154 . 1 1 17 17 MET CA C 13 55.320 0.15 . . . . . . 17 M CA . 15430 1 155 . 1 1 17 17 MET CB C 13 32.894 0.15 . . . . . . 17 M CB . 15430 1 156 . 1 1 17 17 MET CG C 13 33.756 0.15 . . . . . . 17 M CG . 15430 1 157 . 1 1 17 17 MET N N 15 125.176 0.15 . . . . . . 17 M N . 15430 1 158 . 1 1 18 18 GLY H H 1 8.433 0.05 . . . . . . 18 G H . 15430 1 159 . 1 1 18 18 GLY HA2 H 1 4.016 0.05 . . . . . . 18 G HA2 . 15430 1 160 . 1 1 18 18 GLY C C 13 174.106 0.15 . . . . . . 18 G C . 15430 1 161 . 1 1 18 18 GLY CA C 13 45.264 0.15 . . . . . . 18 G CA . 15430 1 162 . 1 1 18 18 GLY N N 15 110.462 0.15 . . . . . . 18 G N . 15430 1 163 . 1 1 19 19 GLY H H 1 8.173 0.05 . . . . . . 19 G H . 15430 1 164 . 1 1 19 19 GLY CA C 13 44.525 0.15 . . . . . . 19 G CA . 15430 1 165 . 1 1 19 19 GLY N N 15 108.828 0.15 . . . . . . 19 G N . 15430 1 166 . 1 1 20 20 PRO HA H 1 4.486 0.05 . . . . . . 20 P HA . 15430 1 167 . 1 1 20 20 PRO HB2 H 1 2.276 0.05 . . . . . . 20 P HB2 . 15430 1 168 . 1 1 20 20 PRO HB3 H 1 1.972 0.05 . . . . . . 20 P HB3 . 15430 1 169 . 1 1 20 20 PRO HD3 H 1 3.651 0.05 . . . . . . 20 P HD3 . 15430 1 170 . 1 1 20 20 PRO HG2 H 1 1.637 0.05 . . . . . . 20 P HG2 . 15430 1 171 . 1 1 20 20 PRO C C 13 177.267 0.15 . . . . . . 20 P C . 15430 1 172 . 1 1 20 20 PRO CA C 13 63.011 0.15 . . . . . . 20 P CA . 15430 1 173 . 1 1 20 20 PRO CB C 13 31.981 0.15 . . . . . . 20 P CB . 15430 1 174 . 1 1 20 20 PRO CD C 13 49.818 0.15 . . . . . . 20 P CD . 15430 1 175 . 1 1 20 20 PRO CG C 13 27.083 0.15 . . . . . . 20 P CG . 15430 1 176 . 1 1 21 21 VAL H H 1 8.376 0.05 . . . . . . 21 V H . 15430 1 177 . 1 1 21 21 VAL HA H 1 4.167 0.05 . . . . . . 21 V HA . 15430 1 178 . 1 1 21 21 VAL HB H 1 1.962 0.05 . . . . . . 21 V HB . 15430 1 179 . 1 1 21 21 VAL HG21 H 1 0.956 0.05 . . . . . . 21 V QG2 . 15430 1 180 . 1 1 21 21 VAL HG22 H 1 0.956 0.05 . . . . . . 21 V QG2 . 15430 1 181 . 1 1 21 21 VAL HG23 H 1 0.956 0.05 . . . . . . 21 V QG2 . 15430 1 182 . 1 1 21 21 VAL C C 13 176.368 0.15 . . . . . . 21 V C . 15430 1 183 . 1 1 21 21 VAL CA C 13 62.522 0.15 . . . . . . 21 V CA . 15430 1 184 . 1 1 21 21 VAL CB C 13 32.722 0.15 . . . . . . 21 V CB . 15430 1 185 . 1 1 21 21 VAL CG2 C 13 20.766 0.15 . . . . . . 21 V CG2 . 15430 1 186 . 1 1 21 21 VAL N N 15 120.972 0.15 . . . . . . 21 V N . 15430 1 187 . 1 1 22 22 THR H H 1 8.329 0.05 . . . . . . 22 T H . 15430 1 188 . 1 1 22 22 THR HA H 1 4.617 0.05 . . . . . . 22 T HA . 15430 1 189 . 1 1 22 22 THR HB H 1 4.128 0.05 . . . . . . 22 T HB . 15430 1 190 . 1 1 22 22 THR HG21 H 1 1.258 0.05 . . . . . . 22 T QG2 . 15430 1 191 . 1 1 22 22 THR HG22 H 1 1.258 0.05 . . . . . . 22 T QG2 . 15430 1 192 . 1 1 22 22 THR HG23 H 1 1.258 0.05 . . . . . . 22 T QG2 . 15430 1 193 . 1 1 22 22 THR CA C 13 59.721 0.15 . . . . . . 22 T CA . 15430 1 194 . 1 1 22 22 THR CB C 13 69.854 0.15 . . . . . . 22 T CB . 15430 1 195 . 1 1 22 22 THR CG2 C 13 21.613 0.15 . . . . . . 22 T CG2 . 15430 1 196 . 1 1 22 22 THR N N 15 121.474 0.15 . . . . . . 22 T N . 15430 1 197 . 1 1 23 23 PRO HA H 1 4.329 0.05 . . . . . . 23 P HA . 15430 1 198 . 1 1 23 23 PRO HB2 H 1 2.322 0.05 . . . . . . 23 P HB2 . 15430 1 199 . 1 1 23 23 PRO HB3 H 1 1.932 0.05 . . . . . . 23 P HB3 . 15430 1 200 . 1 1 23 23 PRO HD2 H 1 3.739 0.05 . . . . . . 23 P HD2 . 15430 1 201 . 1 1 23 23 PRO HD3 H 1 3.947 0.05 . . . . . . 23 P HD3 . 15430 1 202 . 1 1 23 23 PRO HG3 H 1 2.318 0.05 . . . . . . 23 P HG3 . 15430 1 203 . 1 1 23 23 PRO C C 13 176.721 0.15 . . . . . . 23 P C . 15430 1 204 . 1 1 23 23 PRO CA C 13 63.059 0.15 . . . . . . 23 P CA . 15430 1 205 . 1 1 23 23 PRO CB C 13 32.064 0.15 . . . . . . 23 P CB . 15430 1 206 . 1 1 23 23 PRO CD C 13 51.271 0.15 . . . . . . 23 P CD . 15430 1 207 . 1 1 23 23 PRO CG C 13 27.290 0.15 . . . . . . 23 P CG . 15430 1 208 . 1 1 24 24 ARG H H 1 8.463 0.05 . . . . . . 24 R H . 15430 1 209 . 1 1 24 24 ARG HA H 1 4.306 0.05 . . . . . . 24 R HA . 15430 1 210 . 1 1 24 24 ARG HB3 H 1 1.803 0.05 . . . . . . 24 R HB3 . 15430 1 211 . 1 1 24 24 ARG HD3 H 1 3.201 0.05 . . . . . . 24 R HD3 . 15430 1 212 . 1 1 24 24 ARG HG3 H 1 1.692 0.05 . . . . . . 24 R HG3 . 15430 1 213 . 1 1 24 24 ARG C C 13 176.310 0.15 . . . . . . 24 R C . 15430 1 214 . 1 1 24 24 ARG CA C 13 56.017 0.15 . . . . . . 24 R CA . 15430 1 215 . 1 1 24 24 ARG CB C 13 30.866 0.15 . . . . . . 24 R CB . 15430 1 216 . 1 1 24 24 ARG CD C 13 43.373 0.15 . . . . . . 24 R CD . 15430 1 217 . 1 1 24 24 ARG CG C 13 27.048 0.15 . . . . . . 24 R CG . 15430 1 218 . 1 1 24 24 ARG N N 15 122.046 0.15 . . . . . . 24 R N . 15430 1 219 . 1 1 25 25 LYS H H 1 8.449 0.05 . . . . . . 25 K H . 15430 1 220 . 1 1 25 25 LYS HA H 1 4.388 0.05 . . . . . . 25 K HA . 15430 1 221 . 1 1 25 25 LYS HB2 H 1 1.817 0.05 . . . . . . 25 K HB2 . 15430 1 222 . 1 1 25 25 LYS HD3 H 1 1.740 0.05 . . . . . . 25 K HD3 . 15430 1 223 . 1 1 25 25 LYS HE3 H 1 3.000 0.05 . . . . . . 25 K HE3 . 15430 1 224 . 1 1 25 25 LYS HG3 H 1 1.471 0.05 . . . . . . 25 K HG3 . 15430 1 225 . 1 1 25 25 LYS C C 13 176.606 0.15 . . . . . . 25 K C . 15430 1 226 . 1 1 25 25 LYS CA C 13 56.022 0.15 . . . . . . 25 K CA . 15430 1 227 . 1 1 25 25 LYS CB C 13 33.369 0.15 . . . . . . 25 K CB . 15430 1 228 . 1 1 25 25 LYS CE C 13 42.055 0.15 . . . . . . 25 K CE . 15430 1 229 . 1 1 25 25 LYS CG C 13 24.727 0.15 . . . . . . 25 K CG . 15430 1 230 . 1 1 25 25 LYS N N 15 123.599 0.15 . . . . . . 25 K N . 15430 1 231 . 1 1 26 26 GLY H H 1 8.331 0.05 . . . . . . 26 G H . 15430 1 232 . 1 1 26 26 GLY HA2 H 1 3.993 0.05 . . . . . . 26 G HA2 . 15430 1 233 . 1 1 26 26 GLY HA3 H 1 4.200 0.05 . . . . . . 26 G HA3 . 15430 1 234 . 1 1 26 26 GLY CA C 13 44.462 0.15 . . . . . . 26 G CA . 15430 1 235 . 1 1 26 26 GLY N N 15 110.706 0.15 . . . . . . 26 G N . 15430 1 236 . 1 1 27 27 PRO HD3 H 1 3.635 0.05 . . . . . . 27 P HD3 . 15430 1 237 . 1 1 28 28 PRO HA H 1 4.407 0.05 . . . . . . 28 P HA . 15430 1 238 . 1 1 28 28 PRO HB3 H 1 2.254 0.05 . . . . . . 28 P HB3 . 15430 1 239 . 1 1 28 28 PRO HD3 H 1 3.667 0.05 . . . . . . 28 P HD3 . 15430 1 240 . 1 1 28 28 PRO HG2 H 1 2.235 0.05 . . . . . . 28 P HG2 . 15430 1 241 . 1 1 28 28 PRO HG3 H 1 1.784 0.05 . . . . . . 28 P HG3 . 15430 1 242 . 1 1 28 28 PRO C C 13 176.597 0.15 . . . . . . 28 P C . 15430 1 243 . 1 1 28 28 PRO CA C 13 62.607 0.15 . . . . . . 28 P CA . 15430 1 244 . 1 1 28 28 PRO CB C 13 32.228 0.15 . . . . . . 28 P CB . 15430 1 245 . 1 1 28 28 PRO CD C 13 50.398 0.15 . . . . . . 28 P CD . 15430 1 246 . 1 1 29 29 LYS H H 1 8.337 0.05 . . . . . . 29 K H . 15430 1 247 . 1 1 29 29 LYS HA H 1 4.230 0.05 . . . . . . 29 K HA . 15430 1 248 . 1 1 29 29 LYS HB3 H 1 1.687 0.05 . . . . . . 29 K HB3 . 15430 1 249 . 1 1 29 29 LYS HD3 H 1 1.389 0.05 . . . . . . 29 K HD3 . 15430 1 250 . 1 1 29 29 LYS HE3 H 1 2.988 0.05 . . . . . . 29 K HE3 . 15430 1 251 . 1 1 29 29 LYS HG3 H 1 1.449 0.05 . . . . . . 29 K HG3 . 15430 1 252 . 1 1 29 29 LYS C C 13 176.282 0.15 . . . . . . 29 K C . 15430 1 253 . 1 1 29 29 LYS CA C 13 56.296 0.15 . . . . . . 29 K CA . 15430 1 254 . 1 1 29 29 LYS CB C 13 33.166 0.15 . . . . . . 29 K CB . 15430 1 255 . 1 1 29 29 LYS CD C 13 28.970 0.15 . . . . . . 29 K CD . 15430 1 256 . 1 1 29 29 LYS CE C 13 42.081 0.15 . . . . . . 29 K CE . 15430 1 257 . 1 1 29 29 LYS CG C 13 24.746 0.15 . . . . . . 29 K CG . 15430 1 258 . 1 1 29 29 LYS N N 15 121.316 0.15 . . . . . . 29 K N . 15430 1 259 . 1 1 30 30 PHE H H 1 8.168 0.05 . . . . . . 30 F H . 15430 1 260 . 1 1 30 30 PHE HA H 1 4.651 0.05 . . . . . . 30 F HA . 15430 1 261 . 1 1 30 30 PHE HB2 H 1 3.016 0.05 . . . . . . 30 F HB2 . 15430 1 262 . 1 1 30 30 PHE HB3 H 1 3.112 0.05 . . . . . . 30 F HB3 . 15430 1 263 . 1 1 30 30 PHE HD2 H 1 7.222 0.05 . . . . . . 30 F HD2 . 15430 1 264 . 1 1 30 30 PHE C C 13 175.376 0.15 . . . . . . 30 F C . 15430 1 265 . 1 1 30 30 PHE CA C 13 57.554 0.15 . . . . . . 30 F CA . 15430 1 266 . 1 1 30 30 PHE CB C 13 39.988 0.15 . . . . . . 30 F CB . 15430 1 267 . 1 1 30 30 PHE N N 15 121.014 0.15 . . . . . . 30 F N . 15430 1 268 . 1 1 31 31 LYS H H 1 8.299 0.05 . . . . . . 31 K H . 15430 1 269 . 1 1 31 31 LYS HA H 1 4.279 0.05 . . . . . . 31 K HA . 15430 1 270 . 1 1 31 31 LYS HB2 H 1 1.739 0.05 . . . . . . 31 K HB2 . 15430 1 271 . 1 1 31 31 LYS HB3 H 1 1.777 0.05 . . . . . . 31 K HB3 . 15430 1 272 . 1 1 31 31 LYS HD2 H 1 1.676 0.05 . . . . . . 31 K HD2 . 15430 1 273 . 1 1 31 31 LYS HE3 H 1 2.997 0.05 . . . . . . 31 K HE3 . 15430 1 274 . 1 1 31 31 LYS HG3 H 1 1.384 0.05 . . . . . . 31 K HG3 . 15430 1 275 . 1 1 31 31 LYS C C 13 175.859 0.15 . . . . . . 31 K C . 15430 1 276 . 1 1 31 31 LYS CA C 13 56.141 0.15 . . . . . . 31 K CA . 15430 1 277 . 1 1 31 31 LYS CB C 13 33.298 0.15 . . . . . . 31 K CB . 15430 1 278 . 1 1 31 31 LYS CD C 13 29.069 0.15 . . . . . . 31 K CD . 15430 1 279 . 1 1 31 31 LYS CE C 13 42.020 0.15 . . . . . . 31 K CE . 15430 1 280 . 1 1 31 31 LYS CG C 13 24.741 0.15 . . . . . . 31 K CG . 15430 1 281 . 1 1 31 31 LYS N N 15 123.741 0.15 . . . . . . 31 K N . 15430 1 282 . 1 1 32 32 GLN H H 1 8.386 0.05 . . . . . . 32 Q H . 15430 1 283 . 1 1 32 32 GLN HA H 1 4.293 0.05 . . . . . . 32 Q HA . 15430 1 284 . 1 1 32 32 GLN HB3 H 1 2.054 0.05 . . . . . . 32 Q HB3 . 15430 1 285 . 1 1 32 32 GLN HG3 H 1 2.390 0.05 . . . . . . 32 Q HG3 . 15430 1 286 . 1 1 32 32 GLN C C 13 175.871 0.15 . . . . . . 32 Q C . 15430 1 287 . 1 1 32 32 GLN CA C 13 55.849 0.15 . . . . . . 32 Q CA . 15430 1 288 . 1 1 32 32 GLN CB C 13 29.655 0.15 . . . . . . 32 Q CB . 15430 1 289 . 1 1 32 32 GLN CG C 13 33.699 0.15 . . . . . . 32 Q CG . 15430 1 290 . 1 1 32 32 GLN N N 15 122.348 0.15 . . . . . . 32 Q N . 15430 1 291 . 1 1 33 33 ARG H H 1 8.534 0.05 . . . . . . 33 R H . 15430 1 292 . 1 1 33 33 ARG HA H 1 4.313 0.05 . . . . . . 33 R HA . 15430 1 293 . 1 1 33 33 ARG HB2 H 1 1.757 0.05 . . . . . . 33 R HB2 . 15430 1 294 . 1 1 33 33 ARG HB3 H 1 1.554 0.05 . . . . . . 33 R HB3 . 15430 1 295 . 1 1 33 33 ARG HD2 H 1 3.163 0.05 . . . . . . 33 R HD2 . 15430 1 296 . 1 1 33 33 ARG HG2 H 1 2.046 0.05 . . . . . . 33 R HG2 . 15430 1 297 . 1 1 33 33 ARG HG3 H 1 1.798 0.05 . . . . . . 33 R HG3 . 15430 1 298 . 1 1 33 33 ARG C C 13 175.703 0.15 . . . . . . 33 R C . 15430 1 299 . 1 1 33 33 ARG CA C 13 56.149 0.15 . . . . . . 33 R CA . 15430 1 300 . 1 1 33 33 ARG CB C 13 30.871 0.15 . . . . . . 33 R CB . 15430 1 301 . 1 1 33 33 ARG CD C 13 43.370 0.15 . . . . . . 33 R CD . 15430 1 302 . 1 1 33 33 ARG CG C 13 27.186 0.15 . . . . . . 33 R CG . 15430 1 303 . 1 1 33 33 ARG N N 15 123.341 0.15 . . . . . . 33 R N . 15430 1 304 . 1 1 34 34 GLN H H 1 8.406 0.05 . . . . . . 34 Q H . 15430 1 305 . 1 1 34 34 GLN HA H 1 4.450 0.05 . . . . . . 34 Q HA . 15430 1 306 . 1 1 34 34 GLN HB2 H 1 2.078 0.05 . . . . . . 34 Q HB2 . 15430 1 307 . 1 1 34 34 GLN HG2 H 1 2.372 0.05 . . . . . . 34 Q HG2 . 15430 1 308 . 1 1 34 34 GLN C C 13 176.039 0.15 . . . . . . 34 Q C . 15430 1 309 . 1 1 34 34 GLN CA C 13 55.720 0.15 . . . . . . 34 Q CA . 15430 1 310 . 1 1 34 34 GLN CB C 13 29.752 0.15 . . . . . . 34 Q CB . 15430 1 311 . 1 1 34 34 GLN N N 15 121.810 0.15 . . . . . . 34 Q N . 15430 1 312 . 1 1 35 35 THR H H 1 8.337 0.05 . . . . . . 35 T H . 15430 1 313 . 1 1 35 35 THR HA H 1 4.347 0.05 . . . . . . 35 T HA . 15430 1 314 . 1 1 35 35 THR HB H 1 4.204 0.05 . . . . . . 35 T HB . 15430 1 315 . 1 1 35 35 THR HG21 H 1 1.208 0.05 . . . . . . 35 T QG2 . 15430 1 316 . 1 1 35 35 THR HG22 H 1 1.208 0.05 . . . . . . 35 T QG2 . 15430 1 317 . 1 1 35 35 THR HG23 H 1 1.208 0.05 . . . . . . 35 T QG2 . 15430 1 318 . 1 1 35 35 THR C C 13 174.392 0.15 . . . . . . 35 T C . 15430 1 319 . 1 1 35 35 THR CA C 13 61.966 0.15 . . . . . . 35 T CA . 15430 1 320 . 1 1 35 35 THR CB C 13 69.947 0.15 . . . . . . 35 T CB . 15430 1 321 . 1 1 35 35 THR CG2 C 13 21.749 0.15 . . . . . . 35 T CG2 . 15430 1 322 . 1 1 35 35 THR N N 15 116.604 0.15 . . . . . . 35 T N . 15430 1 323 . 1 1 36 36 ARG H H 1 8.422 0.05 . . . . . . 36 R H . 15430 1 324 . 1 1 36 36 ARG HA H 1 4.311 0.05 . . . . . . 36 R HA . 15430 1 325 . 1 1 36 36 ARG HB3 H 1 1.826 0.05 . . . . . . 36 R HB3 . 15430 1 326 . 1 1 36 36 ARG HD3 H 1 3.175 0.05 . . . . . . 36 R HD3 . 15430 1 327 . 1 1 36 36 ARG HG3 H 1 1.657 0.05 . . . . . . 36 R HG3 . 15430 1 328 . 1 1 36 36 ARG C C 13 176.134 0.15 . . . . . . 36 R C . 15430 1 329 . 1 1 36 36 ARG CA C 13 56.231 0.15 . . . . . . 36 R CA . 15430 1 330 . 1 1 36 36 ARG CB C 13 30.935 0.15 . . . . . . 36 R CB . 15430 1 331 . 1 1 36 36 ARG CD C 13 43.440 0.15 . . . . . . 36 R CD . 15430 1 332 . 1 1 36 36 ARG CG C 13 27.151 0.15 . . . . . . 36 R CG . 15430 1 333 . 1 1 36 36 ARG N N 15 123.461 0.15 . . . . . . 36 R N . 15430 1 334 . 1 1 37 37 GLN H H 1 8.567 0.05 . . . . . . 37 Q H . 15430 1 335 . 1 1 37 37 GLN HA H 1 4.326 0.05 . . . . . . 37 Q HA . 15430 1 336 . 1 1 37 37 GLN HB3 H 1 1.941 0.05 . . . . . . 37 Q HB3 . 15430 1 337 . 1 1 37 37 GLN HG3 H 1 2.244 0.05 . . . . . . 37 Q HG3 . 15430 1 338 . 1 1 37 37 GLN C C 13 175.436 0.15 . . . . . . 37 Q C . 15430 1 339 . 1 1 37 37 GLN CA C 13 55.746 0.15 . . . . . . 37 Q CA . 15430 1 340 . 1 1 37 37 GLN CB C 13 29.800 0.15 . . . . . . 37 Q CB . 15430 1 341 . 1 1 37 37 GLN CG C 13 33.678 0.15 . . . . . . 37 Q CG . 15430 1 342 . 1 1 37 37 GLN N N 15 122.436 0.15 . . . . . . 37 Q N . 15430 1 343 . 1 1 38 38 PHE H H 1 8.373 0.05 . . . . . . 38 F H . 15430 1 344 . 1 1 38 38 PHE HA H 1 4.659 0.05 . . . . . . 38 F HA . 15430 1 345 . 1 1 38 38 PHE HB2 H 1 3.011 0.05 . . . . . . 38 F HB2 . 15430 1 346 . 1 1 38 38 PHE HB3 H 1 3.101 0.05 . . . . . . 38 F HB3 . 15430 1 347 . 1 1 38 38 PHE C C 13 175.417 0.15 . . . . . . 38 F C . 15430 1 348 . 1 1 38 38 PHE CA C 13 57.615 0.15 . . . . . . 38 F CA . 15430 1 349 . 1 1 38 38 PHE CB C 13 40.008 0.15 . . . . . . 38 F CB . 15430 1 350 . 1 1 38 38 PHE N N 15 122.108 0.15 . . . . . . 38 F N . 15430 1 351 . 1 1 39 39 LYS H H 1 8.351 0.05 . . . . . . 39 K H . 15430 1 352 . 1 1 39 39 LYS HA H 1 4.344 0.05 . . . . . . 39 K HA . 15430 1 353 . 1 1 39 39 LYS HB3 H 1 1.768 0.05 . . . . . . 39 K HB3 . 15430 1 354 . 1 1 39 39 LYS HD2 H 1 1.697 0.05 . . . . . . 39 K HD2 . 15430 1 355 . 1 1 39 39 LYS HE3 H 1 2.992 0.05 . . . . . . 39 K HE3 . 15430 1 356 . 1 1 39 39 LYS HG3 H 1 1.403 0.05 . . . . . . 39 K HG3 . 15430 1 357 . 1 1 39 39 LYS C C 13 176.057 0.15 . . . . . . 39 K C . 15430 1 358 . 1 1 39 39 LYS CA C 13 56.155 0.15 . . . . . . 39 K CA . 15430 1 359 . 1 1 39 39 LYS CB C 13 33.311 0.15 . . . . . . 39 K CB . 15430 1 360 . 1 1 39 39 LYS CD C 13 29.067 0.15 . . . . . . 39 K CD . 15430 1 361 . 1 1 39 39 LYS CE C 13 42.081 0.15 . . . . . . 39 K CE . 15430 1 362 . 1 1 39 39 LYS CG C 13 24.724 0.15 . . . . . . 39 K CG . 15430 1 363 . 1 1 39 39 LYS N N 15 123.353 0.15 . . . . . . 39 K N . 15430 1 364 . 1 1 40 40 SER H H 1 8.266 0.05 . . . . . . 40 S H . 15430 1 365 . 1 1 40 40 SER HA H 1 4.421 0.05 . . . . . . 40 S HA . 15430 1 366 . 1 1 40 40 SER HB3 H 1 3.863 0.05 . . . . . . 40 S HB3 . 15430 1 367 . 1 1 40 40 SER C C 13 173.967 0.15 . . . . . . 40 S C . 15430 1 368 . 1 1 40 40 SER CA C 13 58.744 0.15 . . . . . . 40 S CA . 15430 1 369 . 1 1 40 40 SER CB C 13 64.110 0.15 . . . . . . 40 S CB . 15430 1 370 . 1 1 40 40 SER N N 15 117.367 0.15 . . . . . . 40 S N . 15430 1 371 . 1 1 41 41 LYS H H 1 8.390 0.05 . . . . . . 41 K H . 15430 1 372 . 1 1 41 41 LYS HA H 1 4.632 0.05 . . . . . . 41 K HA . 15430 1 373 . 1 1 41 41 LYS HB2 H 1 1.830 0.05 . . . . . . 41 K HB2 . 15430 1 374 . 1 1 41 41 LYS HD2 H 1 1.710 0.05 . . . . . . 41 K HD2 . 15430 1 375 . 1 1 41 41 LYS HG3 H 1 1.481 0.05 . . . . . . 41 K HG3 . 15430 1 376 . 1 1 41 41 LYS CA C 13 54.247 0.15 . . . . . . 41 K CA . 15430 1 377 . 1 1 41 41 LYS CB C 13 32.683 0.15 . . . . . . 41 K CB . 15430 1 378 . 1 1 41 41 LYS N N 15 123.953 0.15 . . . . . . 41 K N . 15430 1 379 . 1 1 43 43 PRO HA H 1 4.445 0.05 . . . . . . 43 P HA . 15430 1 380 . 1 1 43 43 PRO HB3 H 1 2.281 0.05 . . . . . . 43 P HB3 . 15430 1 381 . 1 1 43 43 PRO C C 13 176.649 0.15 . . . . . . 43 P C . 15430 1 382 . 1 1 43 43 PRO CA C 13 62.768 0.15 . . . . . . 43 P CA . 15430 1 383 . 1 1 43 43 PRO CB C 13 32.184 0.15 . . . . . . 43 P CB . 15430 1 384 . 1 1 43 43 PRO CD C 13 50.437 0.15 . . . . . . 43 P CD . 15430 1 385 . 1 1 44 44 LYS H H 1 8.318 0.05 . . . . . . 44 K H . 15430 1 386 . 1 1 44 44 LYS HA H 1 4.300 0.05 . . . . . . 44 K HA . 15430 1 387 . 1 1 44 44 LYS HB3 H 1 1.768 0.05 . . . . . . 44 K HB3 . 15430 1 388 . 1 1 44 44 LYS HD2 H 1 1.645 0.05 . . . . . . 44 K HD2 . 15430 1 389 . 1 1 44 44 LYS C C 13 176.276 0.15 . . . . . . 44 K C . 15430 1 390 . 1 1 44 44 LYS CA C 13 56.269 0.15 . . . . . . 44 K CA . 15430 1 391 . 1 1 44 44 LYS CB C 13 33.422 0.15 . . . . . . 44 K CB . 15430 1 392 . 1 1 44 44 LYS CD C 13 29.157 0.15 . . . . . . 44 K CD . 15430 1 393 . 1 1 44 44 LYS CG C 13 24.804 0.15 . . . . . . 44 K CG . 15430 1 394 . 1 1 44 44 LYS N N 15 121.444 0.15 . . . . . . 44 K N . 15430 1 395 . 1 1 45 45 LYS H H 1 8.375 0.05 . . . . . . 45 K H . 15430 1 396 . 1 1 45 45 LYS HA H 1 4.273 0.05 . . . . . . 45 K HA . 15430 1 397 . 1 1 45 45 LYS HB3 H 1 1.794 0.05 . . . . . . 45 K HB3 . 15430 1 398 . 1 1 45 45 LYS HD3 H 1 1.723 0.05 . . . . . . 45 K HD3 . 15430 1 399 . 1 1 45 45 LYS HE3 H 1 2.994 0.05 . . . . . . 45 K HE3 . 15430 1 400 . 1 1 45 45 LYS HG3 H 1 1.433 0.05 . . . . . . 45 K HG3 . 15430 1 401 . 1 1 45 45 LYS C C 13 176.928 0.15 . . . . . . 45 K C . 15430 1 402 . 1 1 45 45 LYS CA C 13 56.464 0.15 . . . . . . 45 K CA . 15430 1 403 . 1 1 45 45 LYS CB C 13 33.228 0.15 . . . . . . 45 K CB . 15430 1 404 . 1 1 45 45 LYS CD C 13 29.134 0.15 . . . . . . 45 K CD . 15430 1 405 . 1 1 45 45 LYS CE C 13 42.028 0.15 . . . . . . 45 K CE . 15430 1 406 . 1 1 45 45 LYS CG C 13 24.740 0.15 . . . . . . 45 K CG . 15430 1 407 . 1 1 45 45 LYS N N 15 122.960 0.15 . . . . . . 45 K N . 15430 1 408 . 1 1 46 46 GLY H H 1 8.511 0.05 . . . . . . 46 G H . 15430 1 409 . 1 1 46 46 GLY HA2 H 1 3.983 0.05 . . . . . . 46 G HA2 . 15430 1 410 . 1 1 46 46 GLY C C 13 174.018 0.15 . . . . . . 46 G C . 15430 1 411 . 1 1 46 46 GLY CA C 13 45.209 0.15 . . . . . . 46 G CA . 15430 1 412 . 1 1 46 46 GLY N N 15 111.019 0.15 . . . . . . 46 G N . 15430 1 413 . 1 1 47 47 VAL H H 1 8.057 0.05 . . . . . . 47 V H . 15430 1 414 . 1 1 47 47 VAL HA H 1 4.149 0.05 . . . . . . 47 V HA . 15430 1 415 . 1 1 47 47 VAL HB H 1 2.091 0.05 . . . . . . 47 V HB . 15430 1 416 . 1 1 47 47 VAL HG21 H 1 0.932 0.05 . . . . . . 47 V QG2 . 15430 1 417 . 1 1 47 47 VAL HG22 H 1 0.932 0.05 . . . . . . 47 V QG2 . 15430 1 418 . 1 1 47 47 VAL HG23 H 1 0.932 0.05 . . . . . . 47 V QG2 . 15430 1 419 . 1 1 47 47 VAL C C 13 176.195 0.15 . . . . . . 47 V C . 15430 1 420 . 1 1 47 47 VAL CA C 13 62.319 0.15 . . . . . . 47 V CA . 15430 1 421 . 1 1 47 47 VAL CB C 13 32.851 0.15 . . . . . . 47 V CB . 15430 1 422 . 1 1 47 47 VAL CG2 C 13 20.907 0.15 . . . . . . 47 V CG2 . 15430 1 423 . 1 1 47 47 VAL N N 15 119.281 0.15 . . . . . . 47 V N . 15430 1 424 . 1 1 48 48 GLN H H 1 8.568 0.05 . . . . . . 48 Q H . 15430 1 425 . 1 1 48 48 GLN HA H 1 4.324 0.05 . . . . . . 48 Q HA . 15430 1 426 . 1 1 48 48 GLN HB2 H 1 1.995 0.05 . . . . . . 48 Q HB2 . 15430 1 427 . 1 1 48 48 GLN HB3 H 1 2.046 0.05 . . . . . . 48 Q HB3 . 15430 1 428 . 1 1 48 48 GLN HG2 H 1 2.352 0.05 . . . . . . 48 Q HG2 . 15430 1 429 . 1 1 48 48 GLN C C 13 176.263 0.15 . . . . . . 48 Q C . 15430 1 430 . 1 1 48 48 GLN CA C 13 56.143 0.15 . . . . . . 48 Q CA . 15430 1 431 . 1 1 48 48 GLN CB C 13 29.505 0.15 . . . . . . 48 Q CB . 15430 1 432 . 1 1 48 48 GLN CG C 13 32.058 0.15 . . . . . . 48 Q CG . 15430 1 433 . 1 1 48 48 GLN N N 15 124.081 0.15 . . . . . . 48 Q N . 15430 1 434 . 1 1 49 49 GLY H H 1 8.424 0.05 . . . . . . 49 G H . 15430 1 435 . 1 1 49 49 GLY HA2 H 1 3.894 0.05 . . . . . . 49 G HA2 . 15430 1 436 . 1 1 49 49 GLY HA3 H 1 3.952 0.05 . . . . . . 49 G HA3 . 15430 1 437 . 1 1 49 49 GLY C C 13 173.711 0.15 . . . . . . 49 G C . 15430 1 438 . 1 1 49 49 GLY CA C 13 45.103 0.15 . . . . . . 49 G CA . 15430 1 439 . 1 1 49 49 GLY N N 15 110.389 0.15 . . . . . . 49 G N . 15430 1 440 . 1 1 50 50 PHE H H 1 8.222 0.05 . . . . . . 50 F H . 15430 1 441 . 1 1 50 50 PHE HA H 1 4.632 0.05 . . . . . . 50 F HA . 15430 1 442 . 1 1 50 50 PHE HB2 H 1 3.015 0.05 . . . . . . 50 F HB2 . 15430 1 443 . 1 1 50 50 PHE HB3 H 1 3.185 0.05 . . . . . . 50 F HB3 . 15430 1 444 . 1 1 50 50 PHE C C 13 176.416 0.15 . . . . . . 50 F C . 15430 1 445 . 1 1 50 50 PHE CA C 13 58.008 0.15 . . . . . . 50 F CA . 15430 1 446 . 1 1 50 50 PHE CB C 13 39.865 0.15 . . . . . . 50 F CB . 15430 1 447 . 1 1 50 50 PHE N N 15 119.885 0.15 . . . . . . 50 F N . 15430 1 448 . 1 1 51 51 GLY H H 1 8.445 0.05 . . . . . . 51 G H . 15430 1 449 . 1 1 51 51 GLY HA2 H 1 3.893 0.05 . . . . . . 51 G HA2 . 15430 1 450 . 1 1 51 51 GLY C C 13 173.768 0.15 . . . . . . 51 G C . 15430 1 451 . 1 1 51 51 GLY CA C 13 45.326 0.15 . . . . . . 51 G CA . 15430 1 452 . 1 1 51 51 GLY N N 15 110.652 0.15 . . . . . . 51 G N . 15430 1 453 . 1 1 52 52 ASP H H 1 8.228 0.05 . . . . . . 52 D H . 15430 1 454 . 1 1 52 52 ASP HA H 1 4.667 0.05 . . . . . . 52 D HA . 15430 1 455 . 1 1 52 52 ASP HB2 H 1 2.689 0.05 . . . . . . 52 D HB2 . 15430 1 456 . 1 1 52 52 ASP HB3 H 1 2.749 0.05 . . . . . . 52 D HB3 . 15430 1 457 . 1 1 52 52 ASP C C 13 175.445 0.15 . . . . . . 52 D C . 15430 1 458 . 1 1 52 52 ASP CA C 13 53.943 0.15 . . . . . . 52 D CA . 15430 1 459 . 1 1 52 52 ASP CB C 13 40.229 0.15 . . . . . . 52 D CB . 15430 1 460 . 1 1 52 52 ASP N N 15 119.656 0.15 . . . . . . 52 D N . 15430 1 461 . 1 1 53 53 ASP H H 1 8.411 0.05 . . . . . . 53 D H . 15430 1 462 . 1 1 53 53 ASP HA H 1 4.653 0.05 . . . . . . 53 D HA . 15430 1 463 . 1 1 53 53 ASP HB2 H 1 2.673 0.05 . . . . . . 53 D HB2 . 15430 1 464 . 1 1 53 53 ASP HB3 H 1 2.752 0.05 . . . . . . 53 D HB3 . 15430 1 465 . 1 1 53 53 ASP C C 13 175.200 0.15 . . . . . . 53 D C . 15430 1 466 . 1 1 53 53 ASP CA C 13 53.780 0.15 . . . . . . 53 D CA . 15430 1 467 . 1 1 53 53 ASP CB C 13 39.873 0.15 . . . . . . 53 D CB . 15430 1 468 . 1 1 53 53 ASP N N 15 119.590 0.15 . . . . . . 53 D N . 15430 1 469 . 1 1 54 54 ILE H H 1 8.032 0.05 . . . . . . 54 I H . 15430 1 470 . 1 1 54 54 ILE HA H 1 4.413 0.05 . . . . . . 54 I HA . 15430 1 471 . 1 1 54 54 ILE HB H 1 1.884 0.05 . . . . . . 54 I HB . 15430 1 472 . 1 1 54 54 ILE HD11 H 1 0.851 0.05 . . . . . . 54 I QD1 . 15430 1 473 . 1 1 54 54 ILE HD12 H 1 0.851 0.05 . . . . . . 54 I QD1 . 15430 1 474 . 1 1 54 54 ILE HD13 H 1 0.851 0.05 . . . . . . 54 I QD1 . 15430 1 475 . 1 1 54 54 ILE HG12 H 1 1.147 0.05 . . . . . . 54 I HG12 . 15430 1 476 . 1 1 54 54 ILE HG13 H 1 1.485 0.05 . . . . . . 54 I HG13 . 15430 1 477 . 1 1 54 54 ILE HG21 H 1 0.917 0.05 . . . . . . 54 I QG2 . 15430 1 478 . 1 1 54 54 ILE HG22 H 1 0.917 0.05 . . . . . . 54 I QG2 . 15430 1 479 . 1 1 54 54 ILE HG23 H 1 0.917 0.05 . . . . . . 54 I QG2 . 15430 1 480 . 1 1 54 54 ILE CA C 13 58.978 0.15 . . . . . . 54 I CA . 15430 1 481 . 1 1 54 54 ILE CB C 13 38.687 0.15 . . . . . . 54 I CB . 15430 1 482 . 1 1 54 54 ILE CD1 C 13 12.608 0.15 . . . . . . 54 I CD1 . 15430 1 483 . 1 1 54 54 ILE CG1 C 13 27.250 0.15 . . . . . . 54 I CG1 . 15430 1 484 . 1 1 54 54 ILE CG2 C 13 17.455 0.15 . . . . . . 54 I CG2 . 15430 1 485 . 1 1 54 54 ILE N N 15 122.390 0.15 . . . . . . 54 I N . 15430 1 486 . 1 1 55 55 PRO HA H 1 4.362 0.05 . . . . . . 55 P HA . 15430 1 487 . 1 1 55 55 PRO HB2 H 1 1.921 0.05 . . . . . . 55 P HB2 . 15430 1 488 . 1 1 55 55 PRO HB3 H 1 2.286 0.05 . . . . . . 55 P HB3 . 15430 1 489 . 1 1 55 55 PRO HD2 H 1 3.673 0.05 . . . . . . 55 P HD2 . 15430 1 490 . 1 1 55 55 PRO HD3 H 1 3.880 0.05 . . . . . . 55 P HD3 . 15430 1 491 . 1 1 55 55 PRO HG2 H 1 1.976 0.05 . . . . . . 55 P HG2 . 15430 1 492 . 1 1 55 55 PRO C C 13 177.916 0.15 . . . . . . 55 P C . 15430 1 493 . 1 1 55 55 PRO CA C 13 63.784 0.15 . . . . . . 55 P CA . 15430 1 494 . 1 1 55 55 PRO CB C 13 32.024 0.15 . . . . . . 55 P CB . 15430 1 495 . 1 1 55 55 PRO CD C 13 51.132 0.15 . . . . . . 55 P CD . 15430 1 496 . 1 1 55 55 PRO CG C 13 27.334 0.15 . . . . . . 55 P CG . 15430 1 497 . 1 1 56 56 GLY H H 1 8.500 0.05 . . . . . . 56 G H . 15430 1 498 . 1 1 56 56 GLY HA2 H 1 3.983 0.05 . . . . . . 56 G HA2 . 15430 1 499 . 1 1 56 56 GLY HA3 H 1 4.044 0.05 . . . . . . 56 G HA3 . 15430 1 500 . 1 1 56 56 GLY C C 13 174.624 0.15 . . . . . . 56 G C . 15430 1 501 . 1 1 56 56 GLY CA C 13 45.508 0.15 . . . . . . 56 G CA . 15430 1 502 . 1 1 56 56 GLY N N 15 109.318 0.15 . . . . . . 56 G N . 15430 1 503 . 1 1 57 57 MET H H 1 8.150 0.05 . . . . . . 57 M H . 15430 1 504 . 1 1 57 57 MET HA H 1 4.524 0.05 . . . . . . 57 M HA . 15430 1 505 . 1 1 57 57 MET HB2 H 1 2.019 0.05 . . . . . . 57 M HB2 . 15430 1 506 . 1 1 57 57 MET HB3 H 1 2.134 0.05 . . . . . . 57 M HB3 . 15430 1 507 . 1 1 57 57 MET HG3 H 1 2.505 0.05 . . . . . . 57 M HG3 . 15430 1 508 . 1 1 57 57 MET C C 13 176.438 0.15 . . . . . . 57 M C . 15430 1 509 . 1 1 57 57 MET CA C 13 55.636 0.15 . . . . . . 57 M CA . 15430 1 510 . 1 1 57 57 MET CB C 13 32.886 0.15 . . . . . . 57 M CB . 15430 1 511 . 1 1 57 57 MET CG C 13 32.058 0.15 . . . . . . 57 M CG . 15430 1 512 . 1 1 57 57 MET N N 15 119.427 0.15 . . . . . . 57 M N . 15430 1 513 . 1 1 58 58 GLU H H 1 8.541 0.05 . . . . . . 58 E H . 15430 1 514 . 1 1 58 58 GLU HA H 1 4.330 0.05 . . . . . . 58 E HA . 15430 1 515 . 1 1 58 58 GLU HB2 H 1 2.005 0.05 . . . . . . 58 E HB2 . 15430 1 516 . 1 1 58 58 GLU HB3 H 1 2.105 0.05 . . . . . . 58 E HB3 . 15430 1 517 . 1 1 58 58 GLU HG3 H 1 2.409 0.05 . . . . . . 58 E HG3 . 15430 1 518 . 1 1 58 58 GLU C C 13 176.724 0.15 . . . . . . 58 E C . 15430 1 519 . 1 1 58 58 GLU CA C 13 56.543 0.15 . . . . . . 58 E CA . 15430 1 520 . 1 1 58 58 GLU CB C 13 29.179 0.15 . . . . . . 58 E CB . 15430 1 521 . 1 1 58 58 GLU CG C 13 34.221 0.15 . . . . . . 58 E CG . 15430 1 522 . 1 1 58 58 GLU N N 15 121.063 0.15 . . . . . . 58 E N . 15430 1 523 . 1 1 59 59 GLY H H 1 8.434 0.05 . . . . . . 59 G H . 15430 1 524 . 1 1 59 59 GLY HA2 H 1 3.964 0.05 . . . . . . 59 G HA2 . 15430 1 525 . 1 1 59 59 GLY C C 13 174.202 0.15 . . . . . . 59 G C . 15430 1 526 . 1 1 59 59 GLY CA C 13 45.435 0.15 . . . . . . 59 G CA . 15430 1 527 . 1 1 59 59 GLY N N 15 109.529 0.15 . . . . . . 59 G N . 15430 1 528 . 1 1 60 60 LEU H H 1 8.124 0.05 . . . . . . 60 L H . 15430 1 529 . 1 1 60 60 LEU HA H 1 4.388 0.05 . . . . . . 60 L HA . 15430 1 530 . 1 1 60 60 LEU HB2 H 1 1.648 0.05 . . . . . . 60 L HB2 . 15430 1 531 . 1 1 60 60 LEU HB3 H 1 1.663 0.05 . . . . . . 60 L HB3 . 15430 1 532 . 1 1 60 60 LEU HD21 H 1 0.907 0.05 . . . . . . 60 L QD2 . 15430 1 533 . 1 1 60 60 LEU HD22 H 1 0.907 0.05 . . . . . . 60 L QD2 . 15430 1 534 . 1 1 60 60 LEU HD23 H 1 0.907 0.05 . . . . . . 60 L QD2 . 15430 1 535 . 1 1 60 60 LEU C C 13 177.670 0.15 . . . . . . 60 L C . 15430 1 536 . 1 1 60 60 LEU CA C 13 55.332 0.15 . . . . . . 60 L CA . 15430 1 537 . 1 1 60 60 LEU CB C 13 42.514 0.15 . . . . . . 60 L CB . 15430 1 538 . 1 1 60 60 LEU CD2 C 13 23.502 0.15 . . . . . . 60 L CD2 . 15430 1 539 . 1 1 60 60 LEU CG C 13 25.049 0.15 . . . . . . 60 L CG . 15430 1 540 . 1 1 60 60 LEU N N 15 121.371 0.15 . . . . . . 60 L N . 15430 1 541 . 1 1 61 61 GLY H H 1 8.502 0.05 . . . . . . 61 G H . 15430 1 542 . 1 1 61 61 GLY HA2 H 1 4.005 0.05 . . . . . . 61 G HA2 . 15430 1 543 . 1 1 61 61 GLY C C 13 174.305 0.15 . . . . . . 61 G C . 15430 1 544 . 1 1 61 61 GLY CA C 13 45.453 0.15 . . . . . . 61 G CA . 15430 1 545 . 1 1 61 61 GLY N N 15 109.384 0.15 . . . . . . 61 G N . 15430 1 546 . 1 1 62 62 THR H H 1 8.018 0.05 . . . . . . 62 T H . 15430 1 547 . 1 1 62 62 THR HA H 1 4.360 0.05 . . . . . . 62 T HA . 15430 1 548 . 1 1 62 62 THR HB H 1 4.245 0.05 . . . . . . 62 T HB . 15430 1 549 . 1 1 62 62 THR HG21 H 1 1.188 0.05 . . . . . . 62 T QG2 . 15430 1 550 . 1 1 62 62 THR HG22 H 1 1.188 0.05 . . . . . . 62 T QG2 . 15430 1 551 . 1 1 62 62 THR HG23 H 1 1.188 0.05 . . . . . . 62 T QG2 . 15430 1 552 . 1 1 62 62 THR C C 13 174.282 0.15 . . . . . . 62 T C . 15430 1 553 . 1 1 62 62 THR CA C 13 62.009 0.15 . . . . . . 62 T CA . 15430 1 554 . 1 1 62 62 THR CB C 13 69.598 0.15 . . . . . . 62 T CB . 15430 1 555 . 1 1 62 62 THR CG2 C 13 21.748 0.15 . . . . . . 62 T CG2 . 15430 1 556 . 1 1 62 62 THR N N 15 112.705 0.15 . . . . . . 62 T N . 15430 1 557 . 1 1 63 63 ASP H H 1 8.455 0.05 . . . . . . 63 D H . 15430 1 558 . 1 1 63 63 ASP HA H 1 4.712 0.05 . . . . . . 63 D HA . 15430 1 559 . 1 1 63 63 ASP HB2 H 1 2.701 0.05 . . . . . . 63 D HB2 . 15430 1 560 . 1 1 63 63 ASP HB3 H 1 2.826 0.05 . . . . . . 63 D HB3 . 15430 1 561 . 1 1 63 63 ASP C C 13 175.870 0.15 . . . . . . 63 D C . 15430 1 562 . 1 1 63 63 ASP CA C 13 53.861 0.15 . . . . . . 63 D CA . 15430 1 563 . 1 1 63 63 ASP CB C 13 40.008 0.15 . . . . . . 63 D CB . 15430 1 564 . 1 1 63 63 ASP N N 15 122.094 0.15 . . . . . . 63 D N . 15430 1 565 . 1 1 64 64 ILE H H 1 8.115 0.05 . . . . . . 64 I H . 15430 1 566 . 1 1 64 64 ILE HA H 1 4.234 0.05 . . . . . . 64 I HA . 15430 1 567 . 1 1 64 64 ILE HB H 1 1.913 0.05 . . . . . . 64 I HB . 15430 1 568 . 1 1 64 64 ILE HD11 H 1 0.866 0.05 . . . . . . 64 I QD1 . 15430 1 569 . 1 1 64 64 ILE HD12 H 1 0.866 0.05 . . . . . . 64 I QD1 . 15430 1 570 . 1 1 64 64 ILE HD13 H 1 0.866 0.05 . . . . . . 64 I QD1 . 15430 1 571 . 1 1 64 64 ILE HG12 H 1 1.433 0.05 . . . . . . 64 I HG12 . 15430 1 572 . 1 1 64 64 ILE HG13 H 1 1.197 0.05 . . . . . . 64 I HG13 . 15430 1 573 . 1 1 64 64 ILE HG21 H 1 0.905 0.05 . . . . . . 64 I QG2 . 15430 1 574 . 1 1 64 64 ILE HG22 H 1 0.905 0.05 . . . . . . 64 I QG2 . 15430 1 575 . 1 1 64 64 ILE HG23 H 1 0.905 0.05 . . . . . . 64 I QG2 . 15430 1 576 . 1 1 64 64 ILE C C 13 176.258 0.15 . . . . . . 64 I C . 15430 1 577 . 1 1 64 64 ILE CA C 13 61.571 0.15 . . . . . . 64 I CA . 15430 1 578 . 1 1 64 64 ILE CB C 13 38.784 0.15 . . . . . . 64 I CB . 15430 1 579 . 1 1 64 64 ILE CD1 C 13 13.072 0.15 . . . . . . 64 I CD1 . 15430 1 580 . 1 1 64 64 ILE CG1 C 13 27.147 0.15 . . . . . . 64 I CG1 . 15430 1 581 . 1 1 64 64 ILE CG2 C 13 17.880 0.15 . . . . . . 64 I CG2 . 15430 1 582 . 1 1 64 64 ILE N N 15 120.886 0.15 . . . . . . 64 I N . 15430 1 583 . 1 1 65 65 THR H H 1 8.286 0.05 . . . . . . 65 T H . 15430 1 584 . 1 1 65 65 THR HA H 1 4.309 0.05 . . . . . . 65 T HA . 15430 1 585 . 1 1 65 65 THR HB H 1 4.173 0.05 . . . . . . 65 T HB . 15430 1 586 . 1 1 65 65 THR HG21 H 1 1.194 0.05 . . . . . . 65 T QG2 . 15430 1 587 . 1 1 65 65 THR HG22 H 1 1.194 0.05 . . . . . . 65 T QG2 . 15430 1 588 . 1 1 65 65 THR HG23 H 1 1.194 0.05 . . . . . . 65 T QG2 . 15430 1 589 . 1 1 65 65 THR C C 13 174.372 0.15 . . . . . . 65 T C . 15430 1 590 . 1 1 65 65 THR CA C 13 62.465 0.15 . . . . . . 65 T CA . 15430 1 591 . 1 1 65 65 THR CB C 13 69.721 0.15 . . . . . . 65 T CB . 15430 1 592 . 1 1 65 65 THR CG2 C 13 21.819 0.15 . . . . . . 65 T CG2 . 15430 1 593 . 1 1 65 65 THR N N 15 117.887 0.15 . . . . . . 65 T N . 15430 1 594 . 1 1 66 66 VAL H H 1 8.027 0.05 . . . . . . 66 V H . 15430 1 595 . 1 1 66 66 VAL HA H 1 4.131 0.05 . . . . . . 66 V HA . 15430 1 596 . 1 1 66 66 VAL HB H 1 2.064 0.05 . . . . . . 66 V HB . 15430 1 597 . 1 1 66 66 VAL HG21 H 1 0.893 0.05 . . . . . . 66 V QG2 . 15430 1 598 . 1 1 66 66 VAL HG22 H 1 0.893 0.05 . . . . . . 66 V QG2 . 15430 1 599 . 1 1 66 66 VAL HG23 H 1 0.893 0.05 . . . . . . 66 V QG2 . 15430 1 600 . 1 1 66 66 VAL C C 13 175.708 0.15 . . . . . . 66 V C . 15430 1 601 . 1 1 66 66 VAL CA C 13 62.383 0.15 . . . . . . 66 V CA . 15430 1 602 . 1 1 66 66 VAL CB C 13 32.880 0.15 . . . . . . 66 V CB . 15430 1 603 . 1 1 66 66 VAL CG2 C 13 21.237 0.15 . . . . . . 66 V CG2 . 15430 1 604 . 1 1 66 66 VAL N N 15 122.724 0.15 . . . . . . 66 V N . 15430 1 605 . 1 1 67 67 ILE H H 1 8.109 0.05 . . . . . . 67 I H . 15430 1 606 . 1 1 67 67 ILE HA H 1 4.128 0.05 . . . . . . 67 I HA . 15430 1 607 . 1 1 67 67 ILE HB H 1 1.797 0.05 . . . . . . 67 I HB . 15430 1 608 . 1 1 67 67 ILE HD11 H 1 0.801 0.05 . . . . . . 67 I QD1 . 15430 1 609 . 1 1 67 67 ILE HD12 H 1 0.801 0.05 . . . . . . 67 I QD1 . 15430 1 610 . 1 1 67 67 ILE HD13 H 1 0.801 0.05 . . . . . . 67 I QD1 . 15430 1 611 . 1 1 67 67 ILE HG12 H 1 1.432 0.05 . . . . . . 67 I HG12 . 15430 1 612 . 1 1 67 67 ILE HG13 H 1 1.143 0.05 . . . . . . 67 I HG13 . 15430 1 613 . 1 1 67 67 ILE HG21 H 1 0.855 0.05 . . . . . . 67 I QG2 . 15430 1 614 . 1 1 67 67 ILE HG22 H 1 0.855 0.05 . . . . . . 67 I QG2 . 15430 1 615 . 1 1 67 67 ILE HG23 H 1 0.855 0.05 . . . . . . 67 I QG2 . 15430 1 616 . 1 1 67 67 ILE C C 13 175.348 0.15 . . . . . . 67 I C . 15430 1 617 . 1 1 67 67 ILE CA C 13 60.884 0.15 . . . . . . 67 I CA . 15430 1 618 . 1 1 67 67 ILE CB C 13 38.547 0.15 . . . . . . 67 I CB . 15430 1 619 . 1 1 67 67 ILE CD1 C 13 12.936 0.15 . . . . . . 67 I CD1 . 15430 1 620 . 1 1 67 67 ILE CG1 C 13 27.252 0.15 . . . . . . 67 I CG1 . 15430 1 621 . 1 1 67 67 ILE CG2 C 13 17.583 0.15 . . . . . . 67 I CG2 . 15430 1 622 . 1 1 67 67 ILE N N 15 124.336 0.15 . . . . . . 67 I N . 15430 1 623 . 1 1 68 68 ALA H H 1 8.239 0.05 . . . . . . 68 A H . 15430 1 624 . 1 1 68 68 ALA HA H 1 4.361 0.05 . . . . . . 68 A HA . 15430 1 625 . 1 1 68 68 ALA HB1 H 1 1.002 0.05 . . . . . . 68 A QB . 15430 1 626 . 1 1 68 68 ALA HB2 H 1 1.002 0.05 . . . . . . 68 A QB . 15430 1 627 . 1 1 68 68 ALA HB3 H 1 1.002 0.05 . . . . . . 68 A QB . 15430 1 628 . 1 1 68 68 ALA CA C 13 50.582 0.15 . . . . . . 68 A CA . 15430 1 629 . 1 1 68 68 ALA CB C 13 18.099 0.15 . . . . . . 68 A CB . 15430 1 630 . 1 1 68 68 ALA N N 15 128.782 0.15 . . . . . . 68 A N . 15430 1 631 . 1 1 69 69 PRO HA H 1 4.309 0.05 . . . . . . 69 P HA . 15430 1 632 . 1 1 69 69 PRO HB2 H 1 1.919 0.05 . . . . . . 69 P HB2 . 15430 1 633 . 1 1 69 69 PRO HB3 H 1 2.276 0.05 . . . . . . 69 P HB3 . 15430 1 634 . 1 1 69 69 PRO HD2 H 1 3.681 0.05 . . . . . . 69 P HD2 . 15430 1 635 . 1 1 69 69 PRO HD3 H 1 3.502 0.05 . . . . . . 69 P HD3 . 15430 1 636 . 1 1 69 69 PRO HG2 H 1 2.011 0.05 . . . . . . 69 P HG2 . 15430 1 637 . 1 1 69 69 PRO C C 13 177.117 0.15 . . . . . . 69 P C . 15430 1 638 . 1 1 69 69 PRO CA C 13 64.175 0.15 . . . . . . 69 P CA . 15430 1 639 . 1 1 69 69 PRO CB C 13 31.824 0.15 . . . . . . 69 P CB . 15430 1 640 . 1 1 69 69 PRO CD C 13 50.536 0.15 . . . . . . 69 P CD . 15430 1 641 . 1 1 69 69 PRO CG C 13 27.488 0.15 . . . . . . 69 P CG . 15430 1 642 . 1 1 70 70 TRP H H 1 7.556 0.05 . . . . . . 70 W H . 15430 1 643 . 1 1 70 70 TRP HA H 1 4.549 0.05 . . . . . . 70 W HA . 15430 1 644 . 1 1 70 70 TRP HB2 H 1 3.284 0.05 . . . . . . 70 W HB2 . 15430 1 645 . 1 1 70 70 TRP HB3 H 1 3.360 0.05 . . . . . . 70 W HB3 . 15430 1 646 . 1 1 70 70 TRP HD1 H 1 7.177 0.05 . . . . . . 70 W HD1 . 15430 1 647 . 1 1 70 70 TRP HE3 H 1 7.249 0.05 . . . . . . 70 W HE3 . 15430 1 648 . 1 1 70 70 TRP C C 13 176.657 0.15 . . . . . . 70 W C . 15430 1 649 . 1 1 70 70 TRP CA C 13 57.975 0.15 . . . . . . 70 W CA . 15430 1 650 . 1 1 70 70 TRP CB C 13 28.750 0.15 . . . . . . 70 W CB . 15430 1 651 . 1 1 70 70 TRP N N 15 117.369 0.15 . . . . . . 70 W N . 15430 1 652 . 1 1 71 71 GLU H H 1 7.712 0.05 . . . . . . 71 E H . 15430 1 653 . 1 1 71 71 GLU HA H 1 4.148 0.05 . . . . . . 71 E HA . 15430 1 654 . 1 1 71 71 GLU HB2 H 1 1.882 0.05 . . . . . . 71 E HB2 . 15430 1 655 . 1 1 71 71 GLU HB3 H 1 1.749 0.05 . . . . . . 71 E HB3 . 15430 1 656 . 1 1 71 71 GLU HG3 H 1 2.038 0.05 . . . . . . 71 E HG3 . 15430 1 657 . 1 1 71 71 GLU C C 13 175.911 0.15 . . . . . . 71 E C . 15430 1 658 . 1 1 71 71 GLU CA C 13 56.468 0.15 . . . . . . 71 E CA . 15430 1 659 . 1 1 71 71 GLU CB C 13 29.123 0.15 . . . . . . 71 E CB . 15430 1 660 . 1 1 71 71 GLU CG C 13 33.919 0.15 . . . . . . 71 E CG . 15430 1 661 . 1 1 71 71 GLU N N 15 121.230 0.15 . . . . . . 71 E N . 15430 1 662 . 1 1 72 72 ALA H H 1 7.850 0.05 . . . . . . 72 A H . 15430 1 663 . 1 1 72 72 ALA HA H 1 4.100 0.05 . . . . . . 72 A HA . 15430 1 664 . 1 1 72 72 ALA HB1 H 1 1.261 0.05 . . . . . . 72 A QB . 15430 1 665 . 1 1 72 72 ALA HB2 H 1 1.261 0.05 . . . . . . 72 A QB . 15430 1 666 . 1 1 72 72 ALA HB3 H 1 1.261 0.05 . . . . . . 72 A QB . 15430 1 667 . 1 1 72 72 ALA C C 13 177.794 0.15 . . . . . . 72 A C . 15430 1 668 . 1 1 72 72 ALA CA C 13 53.154 0.15 . . . . . . 72 A CA . 15430 1 669 . 1 1 72 72 ALA CB C 13 19.035 0.15 . . . . . . 72 A CB . 15430 1 670 . 1 1 72 72 ALA N N 15 123.092 0.15 . . . . . . 72 A N . 15430 1 671 . 1 1 73 73 PHE H H 1 7.935 0.05 . . . . . . 73 F H . 15430 1 672 . 1 1 73 73 PHE HA H 1 4.539 0.05 . . . . . . 73 F HA . 15430 1 673 . 1 1 73 73 PHE HB2 H 1 3.129 0.05 . . . . . . 73 F HB2 . 15430 1 674 . 1 1 73 73 PHE HB3 H 1 3.023 0.05 . . . . . . 73 F HB3 . 15430 1 675 . 1 1 73 73 PHE HD1 H 1 7.231 0.05 . . . . . . 73 F QD . 15430 1 676 . 1 1 73 73 PHE HD2 H 1 7.231 0.05 . . . . . . 73 F QD . 15430 1 677 . 1 1 73 73 PHE C C 13 175.668 0.15 . . . . . . 73 F C . 15430 1 678 . 1 1 73 73 PHE CA C 13 57.985 0.15 . . . . . . 73 F CA . 15430 1 679 . 1 1 73 73 PHE CB C 13 39.356 0.15 . . . . . . 73 F CB . 15430 1 680 . 1 1 73 73 PHE N N 15 117.759 0.15 . . . . . . 73 F N . 15430 1 681 . 1 1 74 74 ASN H H 1 8.123 0.05 . . . . . . 74 N H . 15430 1 682 . 1 1 74 74 ASN HA H 1 4.603 0.05 . . . . . . 74 N HA . 15430 1 683 . 1 1 74 74 ASN HB3 H 1 2.731 0.05 . . . . . . 74 N HB3 . 15430 1 684 . 1 1 74 74 ASN HD21 H 1 7.539 0.05 . . . . . . 74 N HD21 . 15430 1 685 . 1 1 74 74 ASN C C 13 175.138 0.15 . . . . . . 74 N C . 15430 1 686 . 1 1 74 74 ASN CA C 13 53.364 0.15 . . . . . . 74 N CA . 15430 1 687 . 1 1 74 74 ASN CB C 13 38.858 0.15 . . . . . . 74 N CB . 15430 1 688 . 1 1 74 74 ASN N N 15 118.751 0.15 . . . . . . 74 N N . 15430 1 689 . 1 1 75 75 HIS H H 1 8.351 0.05 . . . . . . 75 H H . 15430 1 690 . 1 1 75 75 HIS HA H 1 4.594 0.05 . . . . . . 75 H HA . 15430 1 691 . 1 1 75 75 HIS HB2 H 1 3.219 0.05 . . . . . . 75 H HB2 . 15430 1 692 . 1 1 75 75 HIS HB3 H 1 3.310 0.05 . . . . . . 75 H HB3 . 15430 1 693 . 1 1 75 75 HIS C C 13 174.628 0.15 . . . . . . 75 H C . 15430 1 694 . 1 1 75 75 HIS CA C 13 56.197 0.15 . . . . . . 75 H CA . 15430 1 695 . 1 1 75 75 HIS CB C 13 28.695 0.15 . . . . . . 75 H CB . 15430 1 696 . 1 1 75 75 HIS N N 15 118.017 0.15 . . . . . . 75 H N . 15430 1 697 . 1 1 76 76 LEU H H 1 8.166 0.05 . . . . . . 76 L H . 15430 1 698 . 1 1 76 76 LEU HA H 1 4.287 0.05 . . . . . . 76 L HA . 15430 1 699 . 1 1 76 76 LEU HB2 H 1 1.568 0.05 . . . . . . 76 L HB2 . 15430 1 700 . 1 1 76 76 LEU HB3 H 1 1.642 0.05 . . . . . . 76 L HB3 . 15430 1 701 . 1 1 76 76 LEU HD11 H 1 0.863 0.05 . . . . . . 76 L QD1 . 15430 1 702 . 1 1 76 76 LEU HD12 H 1 0.863 0.05 . . . . . . 76 L QD1 . 15430 1 703 . 1 1 76 76 LEU HD13 H 1 0.863 0.05 . . . . . . 76 L QD1 . 15430 1 704 . 1 1 76 76 LEU HD21 H 1 0.900 0.05 . . . . . . 76 L QD2 . 15430 1 705 . 1 1 76 76 LEU HD22 H 1 0.900 0.05 . . . . . . 76 L QD2 . 15430 1 706 . 1 1 76 76 LEU HD23 H 1 0.900 0.05 . . . . . . 76 L QD2 . 15430 1 707 . 1 1 76 76 LEU C C 13 177.284 0.15 . . . . . . 76 L C . 15430 1 708 . 1 1 76 76 LEU CA C 13 55.995 0.15 . . . . . . 76 L CA . 15430 1 709 . 1 1 76 76 LEU CB C 13 42.241 0.15 . . . . . . 76 L CB . 15430 1 710 . 1 1 76 76 LEU CD1 C 13 23.706 0.15 . . . . . . 76 L CD1 . 15430 1 711 . 1 1 76 76 LEU CD2 C 13 24.084 0.15 . . . . . . 76 L CD2 . 15430 1 712 . 1 1 76 76 LEU N N 15 122.091 0.15 . . . . . . 76 L N . 15430 1 713 . 1 1 77 77 GLU H H 1 8.380 0.05 . . . . . . 77 E H . 15430 1 714 . 1 1 77 77 GLU HA H 1 4.291 0.05 . . . . . . 77 E HA . 15430 1 715 . 1 1 77 77 GLU HB2 H 1 1.961 0.05 . . . . . . 77 E HB2 . 15430 1 716 . 1 1 77 77 GLU HB3 H 1 2.051 0.05 . . . . . . 77 E HB3 . 15430 1 717 . 1 1 77 77 GLU HG2 H 1 2.338 0.05 . . . . . . 77 E HG2 . 15430 1 718 . 1 1 77 77 GLU HG3 H 1 2.389 0.05 . . . . . . 77 E HG3 . 15430 1 719 . 1 1 77 77 GLU C C 13 176.423 0.15 . . . . . . 77 E C . 15430 1 720 . 1 1 77 77 GLU CA C 13 56.257 0.15 . . . . . . 77 E CA . 15430 1 721 . 1 1 77 77 GLU CB C 13 28.981 0.15 . . . . . . 77 E CB . 15430 1 722 . 1 1 77 77 GLU CG C 13 34.114 0.15 . . . . . . 77 E CG . 15430 1 723 . 1 1 77 77 GLU N N 15 120.837 0.15 . . . . . . 77 E N . 15430 1 724 . 1 1 78 78 LEU H H 1 8.161 0.05 . . . . . . 78 L H . 15430 1 725 . 1 1 78 78 LEU HA H 1 4.227 0.05 . . . . . . 78 L HA . 15430 1 726 . 1 1 78 78 LEU HB2 H 1 1.628 0.05 . . . . . . 78 L HB2 . 15430 1 727 . 1 1 78 78 LEU HB3 H 1 1.515 0.05 . . . . . . 78 L HB3 . 15430 1 728 . 1 1 78 78 LEU HD11 H 1 0.862 0.05 . . . . . . 78 L QD1 . 15430 1 729 . 1 1 78 78 LEU HD12 H 1 0.862 0.05 . . . . . . 78 L QD1 . 15430 1 730 . 1 1 78 78 LEU HD13 H 1 0.862 0.05 . . . . . . 78 L QD1 . 15430 1 731 . 1 1 78 78 LEU HD21 H 1 0.898 0.05 . . . . . . 78 L QD2 . 15430 1 732 . 1 1 78 78 LEU HD22 H 1 0.898 0.05 . . . . . . 78 L QD2 . 15430 1 733 . 1 1 78 78 LEU HD23 H 1 0.898 0.05 . . . . . . 78 L QD2 . 15430 1 734 . 1 1 78 78 LEU C C 13 177.684 0.15 . . . . . . 78 L C . 15430 1 735 . 1 1 78 78 LEU CA C 13 56.075 0.15 . . . . . . 78 L CA . 15430 1 736 . 1 1 78 78 LEU CB C 13 42.175 0.15 . . . . . . 78 L CB . 15430 1 737 . 1 1 78 78 LEU CD1 C 13 23.370 0.15 . . . . . . 78 L CD1 . 15430 1 738 . 1 1 78 78 LEU CD2 C 13 24.879 0.15 . . . . . . 78 L CD2 . 15430 1 739 . 1 1 78 78 LEU CG C 13 27.106 0.15 . . . . . . 78 L CG . 15430 1 740 . 1 1 78 78 LEU N N 15 122.038 0.15 . . . . . . 78 L N . 15430 1 741 . 1 1 79 79 HIS H H 1 8.480 0.05 . . . . . . 79 H H . 15430 1 742 . 1 1 79 79 HIS HA H 1 4.620 0.05 . . . . . . 79 H HA . 15430 1 743 . 1 1 79 79 HIS HB2 H 1 3.218 0.05 . . . . . . 79 H HB2 . 15430 1 744 . 1 1 79 79 HIS HB3 H 1 3.294 0.05 . . . . . . 79 H HB3 . 15430 1 745 . 1 1 79 79 HIS C C 13 174.786 0.15 . . . . . . 79 H C . 15430 1 746 . 1 1 79 79 HIS CA C 13 56.072 0.15 . . . . . . 79 H CA . 15430 1 747 . 1 1 79 79 HIS CB C 13 28.589 0.15 . . . . . . 79 H CB . 15430 1 748 . 1 1 79 79 HIS N N 15 118.005 0.15 . . . . . . 79 H N . 15430 1 749 . 1 1 80 80 GLU H H 1 8.318 0.05 . . . . . . 80 E H . 15430 1 750 . 1 1 80 80 GLU HA H 1 4.299 0.05 . . . . . . 80 E HA . 15430 1 751 . 1 1 80 80 GLU HB2 H 1 2.086 0.05 . . . . . . 80 E HB2 . 15430 1 752 . 1 1 80 80 GLU HB3 H 1 2.128 0.05 . . . . . . 80 E HB3 . 15430 1 753 . 1 1 80 80 GLU HG3 H 1 2.389 0.05 . . . . . . 80 E HG3 . 15430 1 754 . 1 1 80 80 GLU C C 13 176.454 0.15 . . . . . . 80 E C . 15430 1 755 . 1 1 80 80 GLU CA C 13 56.595 0.15 . . . . . . 80 E CA . 15430 1 756 . 1 1 80 80 GLU CB C 13 29.258 0.15 . . . . . . 80 E CB . 15430 1 757 . 1 1 80 80 GLU CG C 13 34.127 0.15 . . . . . . 80 E CG . 15430 1 758 . 1 1 80 80 GLU N N 15 120.559 0.15 . . . . . . 80 E N . 15430 1 759 . 1 1 81 81 LEU H H 1 8.237 0.05 . . . . . . 81 L H . 15430 1 760 . 1 1 81 81 LEU HA H 1 4.279 0.05 . . . . . . 81 L HA . 15430 1 761 . 1 1 81 81 LEU HB3 H 1 1.651 0.05 . . . . . . 81 L HB3 . 15430 1 762 . 1 1 81 81 LEU HD11 H 1 0.905 0.05 . . . . . . 81 L QD1 . 15430 1 763 . 1 1 81 81 LEU HD12 H 1 0.905 0.05 . . . . . . 81 L QD1 . 15430 1 764 . 1 1 81 81 LEU HD13 H 1 0.905 0.05 . . . . . . 81 L QD1 . 15430 1 765 . 1 1 81 81 LEU HD21 H 1 0.867 0.05 . . . . . . 81 L QD2 . 15430 1 766 . 1 1 81 81 LEU HD22 H 1 0.867 0.05 . . . . . . 81 L QD2 . 15430 1 767 . 1 1 81 81 LEU HD23 H 1 0.867 0.05 . . . . . . 81 L QD2 . 15430 1 768 . 1 1 81 81 LEU C C 13 177.649 0.15 . . . . . . 81 L C . 15430 1 769 . 1 1 81 81 LEU CA C 13 55.817 0.15 . . . . . . 81 L CA . 15430 1 770 . 1 1 81 81 LEU CB C 13 42.277 0.15 . . . . . . 81 L CB . 15430 1 771 . 1 1 81 81 LEU CD1 C 13 25.030 0.15 . . . . . . 81 L CD1 . 15430 1 772 . 1 1 81 81 LEU CD2 C 13 23.456 0.15 . . . . . . 81 L CD2 . 15430 1 773 . 1 1 81 81 LEU CG C 13 26.871 0.15 . . . . . . 81 L CG . 15430 1 774 . 1 1 81 81 LEU N N 15 122.214 0.15 . . . . . . 81 L N . 15430 1 775 . 1 1 82 82 ALA H H 1 8.174 0.05 . . . . . . 82 A H . 15430 1 776 . 1 1 82 82 ALA HA H 1 4.223 0.05 . . . . . . 82 A HA . 15430 1 777 . 1 1 82 82 ALA HB1 H 1 1.368 0.05 . . . . . . 82 A QB . 15430 1 778 . 1 1 82 82 ALA HB2 H 1 1.368 0.05 . . . . . . 82 A QB . 15430 1 779 . 1 1 82 82 ALA HB3 H 1 1.368 0.05 . . . . . . 82 A QB . 15430 1 780 . 1 1 82 82 ALA C C 13 178.146 0.15 . . . . . . 82 A C . 15430 1 781 . 1 1 82 82 ALA CA C 13 53.229 0.15 . . . . . . 82 A CA . 15430 1 782 . 1 1 82 82 ALA CB C 13 19.012 0.15 . . . . . . 82 A CB . 15430 1 783 . 1 1 82 82 ALA N N 15 123.669 0.15 . . . . . . 82 A N . 15430 1 784 . 1 1 83 83 GLN H H 1 8.135 0.05 . . . . . . 83 Q H . 15430 1 785 . 1 1 83 83 GLN HA H 1 4.199 0.05 . . . . . . 83 Q HA . 15430 1 786 . 1 1 83 83 GLN HB3 H 1 1.895 0.05 . . . . . . 83 Q HB3 . 15430 1 787 . 1 1 83 83 GLN HE21 H 1 7.409 0.05 . . . . . . 83 Q HE21 . 15430 1 788 . 1 1 83 83 GLN HG3 H 1 2.123 0.05 . . . . . . 83 Q HG3 . 15430 1 789 . 1 1 83 83 GLN C C 13 175.844 0.15 . . . . . . 83 Q C . 15430 1 790 . 1 1 83 83 GLN CA C 13 56.333 0.15 . . . . . . 83 Q CA . 15430 1 791 . 1 1 83 83 GLN CB C 13 29.342 0.15 . . . . . . 83 Q CB . 15430 1 792 . 1 1 83 83 GLN CG C 13 33.632 0.15 . . . . . . 83 Q CG . 15430 1 793 . 1 1 83 83 GLN N N 15 118.285 0.15 . . . . . . 83 Q N . 15430 1 794 . 1 1 83 83 GLN NE2 N 15 111.925 0.15 . . . . . . 83 Q NE2 . 15430 1 795 . 1 1 84 84 TYR H H 1 8.065 0.05 . . . . . . 84 Y H . 15430 1 796 . 1 1 84 84 TYR HA H 1 4.608 0.05 . . . . . . 84 Y HA . 15430 1 797 . 1 1 84 84 TYR HB2 H 1 2.922 0.05 . . . . . . 84 Y HB2 . 15430 1 798 . 1 1 84 84 TYR HB3 H 1 3.178 0.05 . . . . . . 84 Y HB3 . 15430 1 799 . 1 1 84 84 TYR HD1 H 1 7.116 0.05 . . . . . . 84 Y QD . 15430 1 800 . 1 1 84 84 TYR HD2 H 1 7.116 0.05 . . . . . . 84 Y QD . 15430 1 801 . 1 1 84 84 TYR C C 13 176.223 0.15 . . . . . . 84 Y C . 15430 1 802 . 1 1 84 84 TYR CA C 13 57.949 0.15 . . . . . . 84 Y CA . 15430 1 803 . 1 1 84 84 TYR CB C 13 38.922 0.15 . . . . . . 84 Y CB . 15430 1 804 . 1 1 84 84 TYR N N 15 119.594 0.15 . . . . . . 84 Y N . 15430 1 805 . 1 1 85 85 GLY H H 1 8.198 0.05 . . . . . . 85 G H . 15430 1 806 . 1 1 85 85 GLY HA2 H 1 3.925 0.05 . . . . . . 85 G HA2 . 15430 1 807 . 1 1 85 85 GLY HA3 H 1 3.879 0.05 . . . . . . 85 G HA3 . 15430 1 808 . 1 1 85 85 GLY C C 13 173.608 0.15 . . . . . . 85 G C . 15430 1 809 . 1 1 85 85 GLY CA C 13 45.601 0.15 . . . . . . 85 G CA . 15430 1 810 . 1 1 85 85 GLY N N 15 109.877 0.15 . . . . . . 85 G N . 15430 1 811 . 1 1 86 86 ILE H H 1 7.863 0.05 . . . . . . 86 I H . 15430 1 812 . 1 1 86 86 ILE HA H 1 4.286 0.05 . . . . . . 86 I HA . 15430 1 813 . 1 1 86 86 ILE HB H 1 1.942 0.05 . . . . . . 86 I HB . 15430 1 814 . 1 1 86 86 ILE HD11 H 1 0.855 0.05 . . . . . . 86 I QD1 . 15430 1 815 . 1 1 86 86 ILE HD12 H 1 0.855 0.05 . . . . . . 86 I QD1 . 15430 1 816 . 1 1 86 86 ILE HD13 H 1 0.855 0.05 . . . . . . 86 I QD1 . 15430 1 817 . 1 1 86 86 ILE HG12 H 1 1.444 0.05 . . . . . . 86 I HG12 . 15430 1 818 . 1 1 86 86 ILE HG13 H 1 1.173 0.05 . . . . . . 86 I HG13 . 15430 1 819 . 1 1 86 86 ILE HG21 H 1 0.921 0.05 . . . . . . 86 I QG2 . 15430 1 820 . 1 1 86 86 ILE HG22 H 1 0.921 0.05 . . . . . . 86 I QG2 . 15430 1 821 . 1 1 86 86 ILE HG23 H 1 0.921 0.05 . . . . . . 86 I QG2 . 15430 1 822 . 1 1 86 86 ILE C C 13 176.457 0.15 . . . . . . 86 I C . 15430 1 823 . 1 1 86 86 ILE CA C 13 61.002 0.15 . . . . . . 86 I CA . 15430 1 824 . 1 1 86 86 ILE CB C 13 38.877 0.15 . . . . . . 86 I CB . 15430 1 825 . 1 1 86 86 ILE CD1 C 13 12.950 0.15 . . . . . . 86 I CD1 . 15430 1 826 . 1 1 86 86 ILE CG1 C 13 27.076 0.15 . . . . . . 86 I CG1 . 15430 1 827 . 1 1 86 86 ILE CG2 C 13 17.689 0.15 . . . . . . 86 I CG2 . 15430 1 828 . 1 1 86 86 ILE N N 15 120.133 0.15 . . . . . . 86 I N . 15430 1 829 . 1 1 87 87 ILE H H 1 7.855 0.05 . . . . . . 87 I H . 15430 1 830 . 1 1 87 87 ILE HA H 1 4.426 0.05 . . . . . . 87 I HA . 15430 1 831 . 1 1 87 87 ILE HB H 1 2.018 0.05 . . . . . . 87 I HB . 15430 1 832 . 1 1 87 87 ILE HD11 H 1 0.848 0.05 . . . . . . 87 I QD1 . 15430 1 833 . 1 1 87 87 ILE HD12 H 1 0.848 0.05 . . . . . . 87 I QD1 . 15430 1 834 . 1 1 87 87 ILE HD13 H 1 0.848 0.05 . . . . . . 87 I QD1 . 15430 1 835 . 1 1 87 87 ILE HG12 H 1 1.433 0.05 . . . . . . 87 I HG12 . 15430 1 836 . 1 1 87 87 ILE HG13 H 1 1.188 0.05 . . . . . . 87 I HG13 . 15430 1 837 . 1 1 87 87 ILE HG21 H 1 0.895 0.05 . . . . . . 87 I QG2 . 15430 1 838 . 1 1 87 87 ILE HG22 H 1 0.895 0.05 . . . . . . 87 I QG2 . 15430 1 839 . 1 1 87 87 ILE HG23 H 1 0.895 0.05 . . . . . . 87 I QG2 . 15430 1 840 . 1 1 87 87 ILE CA C 13 66.943 0.15 . . . . . . 87 I CA . 15430 1 841 . 1 1 87 87 ILE CB C 13 39.016 0.15 . . . . . . 87 I CB . 15430 1 842 . 1 1 87 87 ILE CD1 C 13 12.969 0.15 . . . . . . 87 I CD1 . 15430 1 843 . 1 1 87 87 ILE CG1 C 13 27.193 0.15 . . . . . . 87 I CG1 . 15430 1 844 . 1 1 87 87 ILE CG2 C 13 17.895 0.15 . . . . . . 87 I CG2 . 15430 1 845 . 1 1 87 87 ILE N N 15 127.372 0.15 . . . . . . 87 I N . 15430 1 stop_ save_