data_19479 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19479 _Entry.Title ; Solution Structure of an Active Site Mutant Pepitdyl Carrier Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-06 _Entry.Accession_date 2013-09-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Tufar . . . 19479 2 Simin Rahighi . . . 19479 3 Femke Kraas . I. . 19479 4 Donata Kirchner . K. . 19479 5 Frank Loehr . . . 19479 6 Erik Henrich . . . 19479 7 Juergen Koepke . . . 19479 8 Ivan Dikic . . . 19479 9 Peter Guentert . . . 19479 10 Mohamed Marahiel . A. . 19479 11 Volker Doetsch . . . 19479 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19479 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Carrier Protein' . 19479 Protein . 19479 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19479 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 19479 '15N chemical shifts' 79 19479 '1H chemical shifts' 610 19479 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-02 2013-09-06 update BMRB 'update entry citation' 19479 1 . . 2014-04-22 2013-09-06 original author 'original release' 19479 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1DNY 'Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide snthetases' 19479 PDB 2GDW 'Solution structure of the B. brevis TycC3-PCP in A/H-state' 19479 PDB 2GDX 'Solution structure of the B. brevis TycC3-PCP in H-state' 19479 PDB 2GDY 'Solution structure of the B. brevis TycC3-PCP in A-state' 19479 PDB 2GE1 'Protein complex of A-state TycC3-apo-PCP with the PPtase Sfp (model)' 19479 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 19479 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24704508 _Citation.Full_citation . _Citation.Title 'Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full 'Chemistry & biology' _Citation.Journal_volume 21 _Citation.Journal_issue 4 _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 552 _Citation.Page_last 562 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peter Tufar . . . 19479 1 2 Simin Rahighi . . . 19479 1 3 Femke Kraas . I. . 19479 1 4 Donata Kirchner . K. . 19479 1 5 Frank Lohr . . . 19479 1 6 Erik Henrich . . . 19479 1 7 Jurgen Kopke . . . 19479 1 8 Ivan Dikic . . . 19479 1 9 Peter Guntert . . . 19479 1 10 Mohamed Marahiel . A. . 19479 1 11 Volker Dotsch . . . 19479 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19479 _Assembly.ID 1 _Assembly.Name 'Active Site Mutant Pepitdyl Carrier Protein' _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 'Active Site Mutant Pepitdyl Carrier Protein' 1 $PCP A . yes native no no . . . 19479 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PCP _Entity.Sf_category entity _Entity.Sf_framecode PCP _Entity.Entry_ID 19479 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PCP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PVTEAQYVAPTNAVESKLAE IWERVLGVSGIGILDNFFQI GGHALKAMAVAAQVHREYQV ELPLKVLFAQPTIKALAQYV ATRSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'M1 is cleaved in vivo during expression. R84-H91 are a non-native.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Third PCP domain of TycC' _Entity.Mutation S45A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9972.533 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O30409 . "Tyrocidine synthase 3" . . . . . . . . . . . . . . 19479 1 2 no PDB 1DNY . "Solution Structure Of Pcp, A Prototype For The Peptidyl Carrier Domains Of Modular Peptide Synthetases" . . . . . 100.00 91 98.89 100.00 7.28e-57 . . . . 19479 1 3 no PDB 2GDW . "Solution Structure Of The B. Brevis Tycc3-Pcp In AH-State" . . . . . 92.22 85 98.80 100.00 7.92e-51 . . . . 19479 1 4 no PDB 2GDX . "Solution Structure Of The B. Brevis Tycc3-Pcp In H-State" . . . . . 92.22 85 98.80 100.00 7.92e-51 . . . . 19479 1 5 no PDB 2GDY . "Solution Structure Of The B. Brevis Tycc3-Pcp In A-State" . . . . . 92.22 85 98.80 100.00 7.92e-51 . . . . 19479 1 6 no PDB 2K2Q . "Complex Structure Of The External Thioesterase Of The Surfactin-Synthetase With A Carrier Domain" . . . . . 88.89 82 98.75 100.00 2.31e-48 . . . . 19479 1 7 no PDB 2MD9 . "Solution Structure Of An Active Site Mutant Pepitdyl Carrier Protein" . . . . . 100.00 90 100.00 100.00 4.42e-57 . . . . 19479 1 8 no PDB 4MRT . "Structure Of The Phosphopantetheine Transferase Sfp In Complex With Coenzyme A And A Peptidyl Carrier Protein" . . . . . 100.00 90 100.00 100.00 4.42e-57 . . . . 19479 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 2 PRO . 19479 1 2 3 VAL . 19479 1 3 4 THR . 19479 1 4 5 GLU . 19479 1 5 6 ALA . 19479 1 6 7 GLN . 19479 1 7 8 TYR . 19479 1 8 9 VAL . 19479 1 9 10 ALA . 19479 1 10 11 PRO . 19479 1 11 12 THR . 19479 1 12 13 ASN . 19479 1 13 14 ALA . 19479 1 14 15 VAL . 19479 1 15 16 GLU . 19479 1 16 17 SER . 19479 1 17 18 LYS . 19479 1 18 19 LEU . 19479 1 19 20 ALA . 19479 1 20 21 GLU . 19479 1 21 22 ILE . 19479 1 22 23 TRP . 19479 1 23 24 GLU . 19479 1 24 25 ARG . 19479 1 25 26 VAL . 19479 1 26 27 LEU . 19479 1 27 28 GLY . 19479 1 28 29 VAL . 19479 1 29 30 SER . 19479 1 30 31 GLY . 19479 1 31 32 ILE . 19479 1 32 33 GLY . 19479 1 33 34 ILE . 19479 1 34 35 LEU . 19479 1 35 36 ASP . 19479 1 36 37 ASN . 19479 1 37 38 PHE . 19479 1 38 39 PHE . 19479 1 39 40 GLN . 19479 1 40 41 ILE . 19479 1 41 42 GLY . 19479 1 42 43 GLY . 19479 1 43 44 HIS . 19479 1 44 45 ALA . 19479 1 45 46 LEU . 19479 1 46 47 LYS . 19479 1 47 48 ALA . 19479 1 48 49 MET . 19479 1 49 50 ALA . 19479 1 50 51 VAL . 19479 1 51 52 ALA . 19479 1 52 53 ALA . 19479 1 53 54 GLN . 19479 1 54 55 VAL . 19479 1 55 56 HIS . 19479 1 56 57 ARG . 19479 1 57 58 GLU . 19479 1 58 59 TYR . 19479 1 59 60 GLN . 19479 1 60 61 VAL . 19479 1 61 62 GLU . 19479 1 62 63 LEU . 19479 1 63 64 PRO . 19479 1 64 65 LEU . 19479 1 65 66 LYS . 19479 1 66 67 VAL . 19479 1 67 68 LEU . 19479 1 68 69 PHE . 19479 1 69 70 ALA . 19479 1 70 71 GLN . 19479 1 71 72 PRO . 19479 1 72 73 THR . 19479 1 73 74 ILE . 19479 1 74 75 LYS . 19479 1 75 76 ALA . 19479 1 76 77 LEU . 19479 1 77 78 ALA . 19479 1 78 79 GLN . 19479 1 79 80 TYR . 19479 1 80 81 VAL . 19479 1 81 82 ALA . 19479 1 82 83 THR . 19479 1 83 84 ARG . 19479 1 84 85 SER . 19479 1 85 86 HIS . 19479 1 86 87 HIS . 19479 1 87 88 HIS . 19479 1 88 89 HIS . 19479 1 89 90 HIS . 19479 1 90 91 HIS . 19479 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 . PRO 1 1 19479 1 . VAL 2 2 19479 1 . THR 3 3 19479 1 . GLU 4 4 19479 1 . ALA 5 5 19479 1 . GLN 6 6 19479 1 . TYR 7 7 19479 1 . VAL 8 8 19479 1 . ALA 9 9 19479 1 . PRO 10 10 19479 1 . THR 11 11 19479 1 . ASN 12 12 19479 1 . ALA 13 13 19479 1 . VAL 14 14 19479 1 . GLU 15 15 19479 1 . SER 16 16 19479 1 . LYS 17 17 19479 1 . LEU 18 18 19479 1 . ALA 19 19 19479 1 . GLU 20 20 19479 1 . ILE 21 21 19479 1 . TRP 22 22 19479 1 . GLU 23 23 19479 1 . ARG 24 24 19479 1 . VAL 25 25 19479 1 . LEU 26 26 19479 1 . GLY 27 27 19479 1 . VAL 28 28 19479 1 . SER 29 29 19479 1 . GLY 30 30 19479 1 . ILE 31 31 19479 1 . GLY 32 32 19479 1 . ILE 33 33 19479 1 . LEU 34 34 19479 1 . ASP 35 35 19479 1 . ASN 36 36 19479 1 . PHE 37 37 19479 1 . PHE 38 38 19479 1 . GLN 39 39 19479 1 . ILE 40 40 19479 1 . GLY 41 41 19479 1 . GLY 42 42 19479 1 . HIS 43 43 19479 1 . ALA 44 44 19479 1 . LEU 45 45 19479 1 . LYS 46 46 19479 1 . ALA 47 47 19479 1 . MET 48 48 19479 1 . ALA 49 49 19479 1 . VAL 50 50 19479 1 . ALA 51 51 19479 1 . ALA 52 52 19479 1 . GLN 53 53 19479 1 . VAL 54 54 19479 1 . HIS 55 55 19479 1 . ARG 56 56 19479 1 . GLU 57 57 19479 1 . TYR 58 58 19479 1 . GLN 59 59 19479 1 . VAL 60 60 19479 1 . GLU 61 61 19479 1 . LEU 62 62 19479 1 . PRO 63 63 19479 1 . LEU 64 64 19479 1 . LYS 65 65 19479 1 . VAL 66 66 19479 1 . LEU 67 67 19479 1 . PHE 68 68 19479 1 . ALA 69 69 19479 1 . GLN 70 70 19479 1 . PRO 71 71 19479 1 . THR 72 72 19479 1 . ILE 73 73 19479 1 . LYS 74 74 19479 1 . ALA 75 75 19479 1 . LEU 76 76 19479 1 . ALA 77 77 19479 1 . GLN 78 78 19479 1 . TYR 79 79 19479 1 . VAL 80 80 19479 1 . ALA 81 81 19479 1 . THR 82 82 19479 1 . ARG 83 83 19479 1 . SER 84 84 19479 1 . HIS 85 85 19479 1 . HIS 86 86 19479 1 . HIS 87 87 19479 1 . HIS 88 88 19479 1 . HIS 89 89 19479 1 . HIS 90 90 19479 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 19479 _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 $PCP . 1393 organism . 'Brevibacillus brevis' 'Bacillus brevis' . . Bacteria . Bacillus brevis 'ATCC 8185' . . . . . . . . . . . . . . . tycC . 'PCP domain of module 3' . . 19479 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 19479 _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 $PCP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 pREP4 . . . . . . . . . . . . . . pQE70 . . . . . . 19479 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19479 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PCP '[U-100% 13C; U-100% 15N]' . . 1 $PCP . . 0.7 . . mM . . . . 19479 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19479 1 3 DSS 'natural abundance' . . . . . . 0.15 . . mM . . . . 19479 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19479 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19479 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19479 _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 pH 6.8 . pH 19479 1 pressure 1 . atm 19479 1 temperature 298 . K 19479 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19479 _Software.ID 1 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19479 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19479 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19479 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19479 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19479 2 'peak picking' 19479 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19479 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19479 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19479 3 processing 19479 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19479 _Software.ID 4 _Software.Name CYANA _Software.Version 3.96 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19479 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19479 4 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 19479 _Software.ID 5 _Software.Name OPALp _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19479 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19479 5 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 19479 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19479 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19479 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19479 1 2 spectrometer_2 Bruker Avance . 900 . . . 19479 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 19479 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 5 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 6 '3D (H)C(CCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19479 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19479 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19479 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 19479 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19479 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19479 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19479 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 19479 _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' . . . 19479 1 2 '2D 1H-13C HSQC aliphatic' . . . 19479 1 3 '2D 1H-13C HSQC aromatic' . . . 19479 1 4 '3D HNCACB' . . . 19479 1 5 '3D H(CCCO)NH-TOCSY' . . . 19479 1 6 '3D (H)C(CCO)NH-TOCSY' . . . 19479 1 7 '3D 1H-15N NOESY' . . . 19479 1 8 '3D 1H-13C NOESY aromatic' . . . 19479 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 PRO HA H 1 4.480 0.000 . . . . . A 2 PRO HA . 19479 1 2 . 1 1 1 1 PRO HB2 H 1 2.500 0.000 . . . . . A 2 PRO HB2 . 19479 1 3 . 1 1 1 1 PRO HB3 H 1 2.500 0.000 . . . . . A 2 PRO HB3 . 19479 1 4 . 1 1 1 1 PRO HG2 H 1 2.039 0.000 . . . . . A 2 PRO HG2 . 19479 1 5 . 1 1 1 1 PRO HG3 H 1 2.039 0.000 . . . . . A 2 PRO HG3 . 19479 1 6 . 1 1 1 1 PRO HD2 H 1 3.427 0.000 . . . . . A 2 PRO HD2 . 19479 1 7 . 1 1 1 1 PRO HD3 H 1 3.370 0.000 . . . . . A 2 PRO HD3 . 19479 1 8 . 1 1 1 1 PRO CA C 13 62.373 0.000 . . . . . A 2 PRO CA . 19479 1 9 . 1 1 1 1 PRO CB C 13 32.689 0.000 . . . . . A 2 PRO CB . 19479 1 10 . 1 1 1 1 PRO CG C 13 26.573 0.000 . . . . . A 2 PRO CG . 19479 1 11 . 1 1 1 1 PRO CD C 13 49.436 0.000 . . . . . A 2 PRO CD . 19479 1 12 . 1 1 2 2 VAL HA H 1 4.160 0.004 . . . . . A 3 VAL HA . 19479 1 13 . 1 1 2 2 VAL HB H 1 2.115 0.001 . . . . . A 3 VAL HB . 19479 1 14 . 1 1 2 2 VAL HG11 H 1 0.956 0.001 . . . . . A 3 VAL HG11 . 19479 1 15 . 1 1 2 2 VAL HG12 H 1 0.956 0.001 . . . . . A 3 VAL HG12 . 19479 1 16 . 1 1 2 2 VAL HG13 H 1 0.956 0.001 . . . . . A 3 VAL HG13 . 19479 1 17 . 1 1 2 2 VAL HG21 H 1 0.966 0.001 . . . . . A 3 VAL HG21 . 19479 1 18 . 1 1 2 2 VAL HG22 H 1 0.966 0.001 . . . . . A 3 VAL HG22 . 19479 1 19 . 1 1 2 2 VAL HG23 H 1 0.966 0.001 . . . . . A 3 VAL HG23 . 19479 1 20 . 1 1 2 2 VAL CA C 13 63.130 0.022 . . . . . A 3 VAL CA . 19479 1 21 . 1 1 2 2 VAL CB C 13 32.605 0.021 . . . . . A 3 VAL CB . 19479 1 22 . 1 1 2 2 VAL CG1 C 13 21.308 0.001 . . . . . A 3 VAL CG1 . 19479 1 23 . 1 1 2 2 VAL CG2 C 13 20.646 0.000 . . . . . A 3 VAL CG2 . 19479 1 24 . 1 1 3 3 THR H H 1 8.269 0.001 . . . . . A 4 THR H . 19479 1 25 . 1 1 3 3 THR HA H 1 4.454 0.002 . . . . . A 4 THR HA . 19479 1 26 . 1 1 3 3 THR HB H 1 4.281 0.000 . . . . . A 4 THR HB . 19479 1 27 . 1 1 3 3 THR HG21 H 1 1.218 0.004 . . . . . A 4 THR HG21 . 19479 1 28 . 1 1 3 3 THR HG22 H 1 1.218 0.004 . . . . . A 4 THR HG22 . 19479 1 29 . 1 1 3 3 THR HG23 H 1 1.218 0.004 . . . . . A 4 THR HG23 . 19479 1 30 . 1 1 3 3 THR CA C 13 61.454 0.018 . . . . . A 4 THR CA . 19479 1 31 . 1 1 3 3 THR CB C 13 70.203 0.014 . . . . . A 4 THR CB . 19479 1 32 . 1 1 3 3 THR CG2 C 13 21.816 0.005 . . . . . A 4 THR CG2 . 19479 1 33 . 1 1 3 3 THR N N 15 117.074 0.005 . . . . . A 4 THR N . 19479 1 34 . 1 1 4 4 GLU H H 1 8.465 0.001 . . . . . A 5 GLU H . 19479 1 35 . 1 1 4 4 GLU HA H 1 4.305 0.003 . . . . . A 5 GLU HA . 19479 1 36 . 1 1 4 4 GLU HB2 H 1 2.116 0.006 . . . . . A 5 GLU HB2 . 19479 1 37 . 1 1 4 4 GLU HB3 H 1 1.968 0.002 . . . . . A 5 GLU HB3 . 19479 1 38 . 1 1 4 4 GLU HG2 H 1 2.282 0.003 . . . . . A 5 GLU HG2 . 19479 1 39 . 1 1 4 4 GLU HG3 H 1 2.282 0.003 . . . . . A 5 GLU HG3 . 19479 1 40 . 1 1 4 4 GLU CA C 13 56.689 0.009 . . . . . A 5 GLU CA . 19479 1 41 . 1 1 4 4 GLU CB C 13 30.297 0.025 . . . . . A 5 GLU CB . 19479 1 42 . 1 1 4 4 GLU CG C 13 36.337 0.005 . . . . . A 5 GLU CG . 19479 1 43 . 1 1 4 4 GLU N N 15 122.628 0.006 . . . . . A 5 GLU N . 19479 1 44 . 1 1 5 5 ALA H H 1 8.333 0.002 . . . . . A 6 ALA H . 19479 1 45 . 1 1 5 5 ALA HA H 1 4.301 0.000 . . . . . A 6 ALA HA . 19479 1 46 . 1 1 5 5 ALA HB1 H 1 1.358 0.002 . . . . . A 6 ALA HB1 . 19479 1 47 . 1 1 5 5 ALA HB2 H 1 1.358 0.002 . . . . . A 6 ALA HB2 . 19479 1 48 . 1 1 5 5 ALA HB3 H 1 1.358 0.002 . . . . . A 6 ALA HB3 . 19479 1 49 . 1 1 5 5 ALA CA C 13 52.392 0.002 . . . . . A 6 ALA CA . 19479 1 50 . 1 1 5 5 ALA CB C 13 19.520 0.004 . . . . . A 6 ALA CB . 19479 1 51 . 1 1 5 5 ALA N N 15 124.915 0.011 . . . . . A 6 ALA N . 19479 1 52 . 1 1 6 6 GLN H H 1 8.340 0.001 . . . . . A 7 GLN H . 19479 1 53 . 1 1 6 6 GLN HA H 1 4.275 0.002 . . . . . A 7 GLN HA . 19479 1 54 . 1 1 6 6 GLN HB2 H 1 2.047 0.009 . . . . . A 7 GLN HB2 . 19479 1 55 . 1 1 6 6 GLN HB3 H 1 1.973 0.005 . . . . . A 7 GLN HB3 . 19479 1 56 . 1 1 6 6 GLN HG2 H 1 2.339 0.001 . . . . . A 7 GLN HG2 . 19479 1 57 . 1 1 6 6 GLN HG3 H 1 2.339 0.001 . . . . . A 7 GLN HG3 . 19479 1 58 . 1 1 6 6 GLN CA C 13 55.512 0.025 . . . . . A 7 GLN CA . 19479 1 59 . 1 1 6 6 GLN CB C 13 29.495 0.011 . . . . . A 7 GLN CB . 19479 1 60 . 1 1 6 6 GLN CG C 13 33.676 0.002 . . . . . A 7 GLN CG . 19479 1 61 . 1 1 6 6 GLN N N 15 120.476 0.009 . . . . . A 7 GLN N . 19479 1 62 . 1 1 7 7 TYR H H 1 8.506 0.002 . . . . . A 8 TYR H . 19479 1 63 . 1 1 7 7 TYR HA H 1 4.386 0.002 . . . . . A 8 TYR HA . 19479 1 64 . 1 1 7 7 TYR HB2 H 1 3.177 0.000 . . . . . A 8 TYR HB2 . 19479 1 65 . 1 1 7 7 TYR HB3 H 1 2.768 0.000 . . . . . A 8 TYR HB3 . 19479 1 66 . 1 1 7 7 TYR HD1 H 1 7.072 0.000 . . . . . A 8 TYR HD1 . 19479 1 67 . 1 1 7 7 TYR HD2 H 1 7.072 0.000 . . . . . A 8 TYR HD2 . 19479 1 68 . 1 1 7 7 TYR HE1 H 1 6.593 0.002 . . . . . A 8 TYR HE1 . 19479 1 69 . 1 1 7 7 TYR HE2 H 1 6.593 0.002 . . . . . A 8 TYR HE2 . 19479 1 70 . 1 1 7 7 TYR CA C 13 60.233 0.034 . . . . . A 8 TYR CA . 19479 1 71 . 1 1 7 7 TYR CB C 13 38.173 0.006 . . . . . A 8 TYR CB . 19479 1 72 . 1 1 7 7 TYR CD1 C 13 133.242 0.000 . . . . . A 8 TYR CD1 . 19479 1 73 . 1 1 7 7 TYR CE1 C 13 117.915 0.000 . . . . . A 8 TYR CE1 . 19479 1 74 . 1 1 7 7 TYR N N 15 124.499 0.009 . . . . . A 8 TYR N . 19479 1 75 . 1 1 8 8 VAL H H 1 6.756 0.002 . . . . . A 9 VAL H . 19479 1 76 . 1 1 8 8 VAL HA H 1 3.748 0.003 . . . . . A 9 VAL HA . 19479 1 77 . 1 1 8 8 VAL HB H 1 1.527 0.002 . . . . . A 9 VAL HB . 19479 1 78 . 1 1 8 8 VAL HG11 H 1 0.783 0.002 . . . . . A 9 VAL HG11 . 19479 1 79 . 1 1 8 8 VAL HG12 H 1 0.783 0.002 . . . . . A 9 VAL HG12 . 19479 1 80 . 1 1 8 8 VAL HG13 H 1 0.783 0.002 . . . . . A 9 VAL HG13 . 19479 1 81 . 1 1 8 8 VAL HG21 H 1 0.783 0.002 . . . . . A 9 VAL HG21 . 19479 1 82 . 1 1 8 8 VAL HG22 H 1 0.783 0.002 . . . . . A 9 VAL HG22 . 19479 1 83 . 1 1 8 8 VAL HG23 H 1 0.783 0.002 . . . . . A 9 VAL HG23 . 19479 1 84 . 1 1 8 8 VAL CA C 13 61.317 0.016 . . . . . A 9 VAL CA . 19479 1 85 . 1 1 8 8 VAL CB C 13 34.738 0.016 . . . . . A 9 VAL CB . 19479 1 86 . 1 1 8 8 VAL CG1 C 13 21.383 0.000 . . . . . A 9 VAL CG1 . 19479 1 87 . 1 1 8 8 VAL N N 15 130.011 0.007 . . . . . A 9 VAL N . 19479 1 88 . 1 1 9 9 ALA H H 1 8.125 0.003 . . . . . A 10 ALA H . 19479 1 89 . 1 1 9 9 ALA HA H 1 4.172 0.002 . . . . . A 10 ALA HA . 19479 1 90 . 1 1 9 9 ALA HB1 H 1 1.366 0.001 . . . . . A 10 ALA HB1 . 19479 1 91 . 1 1 9 9 ALA HB2 H 1 1.366 0.001 . . . . . A 10 ALA HB2 . 19479 1 92 . 1 1 9 9 ALA HB3 H 1 1.366 0.001 . . . . . A 10 ALA HB3 . 19479 1 93 . 1 1 9 9 ALA CA C 13 50.602 0.002 . . . . . A 10 ALA CA . 19479 1 94 . 1 1 9 9 ALA CB C 13 17.676 0.001 . . . . . A 10 ALA CB . 19479 1 95 . 1 1 9 9 ALA N N 15 130.264 0.009 . . . . . A 10 ALA N . 19479 1 96 . 1 1 10 10 PRO HA H 1 4.186 0.001 . . . . . A 11 PRO HA . 19479 1 97 . 1 1 10 10 PRO HB2 H 1 1.904 0.005 . . . . . A 11 PRO HB2 . 19479 1 98 . 1 1 10 10 PRO HB3 H 1 1.904 0.005 . . . . . A 11 PRO HB3 . 19479 1 99 . 1 1 10 10 PRO HG2 H 1 2.194 0.001 . . . . . A 11 PRO HG2 . 19479 1 100 . 1 1 10 10 PRO HG3 H 1 1.587 0.004 . . . . . A 11 PRO HG3 . 19479 1 101 . 1 1 10 10 PRO HD2 H 1 3.752 0.004 . . . . . A 11 PRO HD2 . 19479 1 102 . 1 1 10 10 PRO HD3 H 1 3.651 0.002 . . . . . A 11 PRO HD3 . 19479 1 103 . 1 1 10 10 PRO CA C 13 63.808 0.018 . . . . . A 11 PRO CA . 19479 1 104 . 1 1 10 10 PRO CB C 13 32.674 0.002 . . . . . A 11 PRO CB . 19479 1 105 . 1 1 10 10 PRO CG C 13 28.042 0.003 . . . . . A 11 PRO CG . 19479 1 106 . 1 1 10 10 PRO CD C 13 50.164 0.006 . . . . . A 11 PRO CD . 19479 1 107 . 1 1 11 11 THR H H 1 9.701 0.002 . . . . . A 12 THR H . 19479 1 108 . 1 1 11 11 THR HA H 1 4.469 0.003 . . . . . A 12 THR HA . 19479 1 109 . 1 1 11 11 THR HB H 1 4.306 0.000 . . . . . A 12 THR HB . 19479 1 110 . 1 1 11 11 THR HG21 H 1 1.223 0.004 . . . . . A 12 THR HG21 . 19479 1 111 . 1 1 11 11 THR HG22 H 1 1.223 0.004 . . . . . A 12 THR HG22 . 19479 1 112 . 1 1 11 11 THR HG23 H 1 1.223 0.004 . . . . . A 12 THR HG23 . 19479 1 113 . 1 1 11 11 THR CA C 13 61.950 0.034 . . . . . A 12 THR CA . 19479 1 114 . 1 1 11 11 THR CB C 13 71.622 0.064 . . . . . A 12 THR CB . 19479 1 115 . 1 1 11 11 THR CG2 C 13 21.814 0.000 . . . . . A 12 THR CG2 . 19479 1 116 . 1 1 11 11 THR N N 15 113.591 0.009 . . . . . A 12 THR N . 19479 1 117 . 1 1 12 12 ASN H H 1 7.423 0.002 . . . . . A 13 ASN H . 19479 1 118 . 1 1 12 12 ASN HA H 1 4.771 0.008 . . . . . A 13 ASN HA . 19479 1 119 . 1 1 12 12 ASN HB2 H 1 3.104 0.002 . . . . . A 13 ASN HB2 . 19479 1 120 . 1 1 12 12 ASN HB3 H 1 2.952 0.001 . . . . . A 13 ASN HB3 . 19479 1 121 . 1 1 12 12 ASN CA C 13 51.947 0.031 . . . . . A 13 ASN CA . 19479 1 122 . 1 1 12 12 ASN CB C 13 39.736 0.002 . . . . . A 13 ASN CB . 19479 1 123 . 1 1 12 12 ASN N N 15 116.088 0.018 . . . . . A 13 ASN N . 19479 1 124 . 1 1 13 13 ALA HA H 1 4.136 0.000 . . . . . A 14 ALA HA . 19479 1 125 . 1 1 13 13 ALA HB1 H 1 1.515 0.002 . . . . . A 14 ALA HB1 . 19479 1 126 . 1 1 13 13 ALA HB2 H 1 1.515 0.002 . . . . . A 14 ALA HB2 . 19479 1 127 . 1 1 13 13 ALA HB3 H 1 1.515 0.002 . . . . . A 14 ALA HB3 . 19479 1 128 . 1 1 13 13 ALA CA C 13 55.484 0.013 . . . . . A 14 ALA CA . 19479 1 129 . 1 1 13 13 ALA CB C 13 19.020 0.003 . . . . . A 14 ALA CB . 19479 1 130 . 1 1 14 14 VAL H H 1 7.938 0.001 . . . . . A 15 VAL H . 19479 1 131 . 1 1 14 14 VAL HA H 1 4.191 0.003 . . . . . A 15 VAL HA . 19479 1 132 . 1 1 14 14 VAL HB H 1 2.010 0.003 . . . . . A 15 VAL HB . 19479 1 133 . 1 1 14 14 VAL HG11 H 1 0.861 0.002 . . . . . A 15 VAL HG11 . 19479 1 134 . 1 1 14 14 VAL HG12 H 1 0.861 0.002 . . . . . A 15 VAL HG12 . 19479 1 135 . 1 1 14 14 VAL HG13 H 1 0.861 0.002 . . . . . A 15 VAL HG13 . 19479 1 136 . 1 1 14 14 VAL HG21 H 1 0.742 0.002 . . . . . A 15 VAL HG21 . 19479 1 137 . 1 1 14 14 VAL HG22 H 1 0.742 0.002 . . . . . A 15 VAL HG22 . 19479 1 138 . 1 1 14 14 VAL HG23 H 1 0.742 0.002 . . . . . A 15 VAL HG23 . 19479 1 139 . 1 1 14 14 VAL CA C 13 65.158 0.016 . . . . . A 15 VAL CA . 19479 1 140 . 1 1 14 14 VAL CB C 13 31.513 0.005 . . . . . A 15 VAL CB . 19479 1 141 . 1 1 14 14 VAL CG1 C 13 21.916 0.001 . . . . . A 15 VAL CG1 . 19479 1 142 . 1 1 14 14 VAL CG2 C 13 21.376 0.004 . . . . . A 15 VAL CG2 . 19479 1 143 . 1 1 14 14 VAL N N 15 120.332 0.008 . . . . . A 15 VAL N . 19479 1 144 . 1 1 15 15 GLU H H 1 8.470 0.001 . . . . . A 16 GLU H . 19479 1 145 . 1 1 15 15 GLU HA H 1 3.550 0.002 . . . . . A 16 GLU HA . 19479 1 146 . 1 1 15 15 GLU HB2 H 1 2.023 0.007 . . . . . A 16 GLU HB2 . 19479 1 147 . 1 1 15 15 GLU HB3 H 1 1.607 0.004 . . . . . A 16 GLU HB3 . 19479 1 148 . 1 1 15 15 GLU HG2 H 1 2.364 0.002 . . . . . A 16 GLU HG2 . 19479 1 149 . 1 1 15 15 GLU HG3 H 1 1.809 0.002 . . . . . A 16 GLU HG3 . 19479 1 150 . 1 1 15 15 GLU CA C 13 59.495 0.009 . . . . . A 16 GLU CA . 19479 1 151 . 1 1 15 15 GLU CB C 13 30.851 0.041 . . . . . A 16 GLU CB . 19479 1 152 . 1 1 15 15 GLU CG C 13 37.095 0.003 . . . . . A 16 GLU CG . 19479 1 153 . 1 1 15 15 GLU N N 15 118.751 0.009 . . . . . A 16 GLU N . 19479 1 154 . 1 1 16 16 SER H H 1 8.386 0.002 . . . . . A 17 SER H . 19479 1 155 . 1 1 16 16 SER HA H 1 3.968 0.000 . . . . . A 17 SER HA . 19479 1 156 . 1 1 16 16 SER HB2 H 1 3.904 0.005 . . . . . A 17 SER HB2 . 19479 1 157 . 1 1 16 16 SER HB3 H 1 3.904 0.005 . . . . . A 17 SER HB3 . 19479 1 158 . 1 1 16 16 SER CA C 13 62.523 0.038 . . . . . A 17 SER CA . 19479 1 159 . 1 1 16 16 SER CB C 13 62.669 0.000 . . . . . A 17 SER CB . 19479 1 160 . 1 1 16 16 SER N N 15 112.637 0.013 . . . . . A 17 SER N . 19479 1 161 . 1 1 17 17 LYS H H 1 8.104 0.001 . . . . . A 18 LYS H . 19479 1 162 . 1 1 17 17 LYS HA H 1 4.287 0.002 . . . . . A 18 LYS HA . 19479 1 163 . 1 1 17 17 LYS HB2 H 1 2.436 0.005 . . . . . A 18 LYS HB2 . 19479 1 164 . 1 1 17 17 LYS HB3 H 1 2.015 0.000 . . . . . A 18 LYS HB3 . 19479 1 165 . 1 1 17 17 LYS HG2 H 1 1.636 0.000 . . . . . A 18 LYS HG2 . 19479 1 166 . 1 1 17 17 LYS HG3 H 1 1.457 0.003 . . . . . A 18 LYS HG3 . 19479 1 167 . 1 1 17 17 LYS HD2 H 1 1.844 0.005 . . . . . A 18 LYS HD2 . 19479 1 168 . 1 1 17 17 LYS HD3 H 1 1.641 0.008 . . . . . A 18 LYS HD3 . 19479 1 169 . 1 1 17 17 LYS HE2 H 1 2.926 0.004 . . . . . A 18 LYS HE2 . 19479 1 170 . 1 1 17 17 LYS HE3 H 1 2.743 0.005 . . . . . A 18 LYS HE3 . 19479 1 171 . 1 1 17 17 LYS CA C 13 57.421 0.024 . . . . . A 18 LYS CA . 19479 1 172 . 1 1 17 17 LYS CB C 13 30.018 0.010 . . . . . A 18 LYS CB . 19479 1 173 . 1 1 17 17 LYS CG C 13 24.059 0.013 . . . . . A 18 LYS CG . 19479 1 174 . 1 1 17 17 LYS CD C 13 26.637 0.007 . . . . . A 18 LYS CD . 19479 1 175 . 1 1 17 17 LYS CE C 13 41.338 0.005 . . . . . A 18 LYS CE . 19479 1 176 . 1 1 17 17 LYS N N 15 124.394 0.014 . . . . . A 18 LYS N . 19479 1 177 . 1 1 18 18 LEU H H 1 8.742 0.002 . . . . . A 19 LEU H . 19479 1 178 . 1 1 18 18 LEU HA H 1 4.027 0.001 . . . . . A 19 LEU HA . 19479 1 179 . 1 1 18 18 LEU HB2 H 1 1.887 0.006 . . . . . A 19 LEU HB2 . 19479 1 180 . 1 1 18 18 LEU HB3 H 1 0.867 0.004 . . . . . A 19 LEU HB3 . 19479 1 181 . 1 1 18 18 LEU HG H 1 1.942 0.004 . . . . . A 19 LEU HG . 19479 1 182 . 1 1 18 18 LEU HD11 H 1 0.738 0.001 . . . . . A 19 LEU HD11 . 19479 1 183 . 1 1 18 18 LEU HD12 H 1 0.738 0.001 . . . . . A 19 LEU HD12 . 19479 1 184 . 1 1 18 18 LEU HD13 H 1 0.738 0.001 . . . . . A 19 LEU HD13 . 19479 1 185 . 1 1 18 18 LEU HD21 H 1 0.841 0.003 . . . . . A 19 LEU HD21 . 19479 1 186 . 1 1 18 18 LEU HD22 H 1 0.841 0.003 . . . . . A 19 LEU HD22 . 19479 1 187 . 1 1 18 18 LEU HD23 H 1 0.841 0.003 . . . . . A 19 LEU HD23 . 19479 1 188 . 1 1 18 18 LEU CA C 13 58.178 0.045 . . . . . A 19 LEU CA . 19479 1 189 . 1 1 18 18 LEU CB C 13 42.135 0.011 . . . . . A 19 LEU CB . 19479 1 190 . 1 1 18 18 LEU CG C 13 27.646 0.022 . . . . . A 19 LEU CG . 19479 1 191 . 1 1 18 18 LEU CD1 C 13 26.349 0.008 . . . . . A 19 LEU CD1 . 19479 1 192 . 1 1 18 18 LEU CD2 C 13 24.151 0.010 . . . . . A 19 LEU CD2 . 19479 1 193 . 1 1 18 18 LEU N N 15 118.589 0.013 . . . . . A 19 LEU N . 19479 1 194 . 1 1 19 19 ALA H H 1 8.199 0.002 . . . . . A 20 ALA H . 19479 1 195 . 1 1 19 19 ALA HA H 1 3.775 0.001 . . . . . A 20 ALA HA . 19479 1 196 . 1 1 19 19 ALA HB1 H 1 1.406 0.002 . . . . . A 20 ALA HB1 . 19479 1 197 . 1 1 19 19 ALA HB2 H 1 1.406 0.002 . . . . . A 20 ALA HB2 . 19479 1 198 . 1 1 19 19 ALA HB3 H 1 1.406 0.002 . . . . . A 20 ALA HB3 . 19479 1 199 . 1 1 19 19 ALA CA C 13 56.194 0.023 . . . . . A 20 ALA CA . 19479 1 200 . 1 1 19 19 ALA CB C 13 16.862 0.005 . . . . . A 20 ALA CB . 19479 1 201 . 1 1 19 19 ALA N N 15 121.037 0.007 . . . . . A 20 ALA N . 19479 1 202 . 1 1 20 20 GLU H H 1 7.716 0.002 . . . . . A 21 GLU H . 19479 1 203 . 1 1 20 20 GLU HA H 1 4.129 0.002 . . . . . A 21 GLU HA . 19479 1 204 . 1 1 20 20 GLU HB2 H 1 2.404 0.002 . . . . . A 21 GLU HB2 . 19479 1 205 . 1 1 20 20 GLU HB3 H 1 2.358 0.004 . . . . . A 21 GLU HB3 . 19479 1 206 . 1 1 20 20 GLU HG2 H 1 2.550 0.003 . . . . . A 21 GLU HG2 . 19479 1 207 . 1 1 20 20 GLU HG3 H 1 2.191 0.000 . . . . . A 21 GLU HG3 . 19479 1 208 . 1 1 20 20 GLU CA C 13 59.788 0.017 . . . . . A 21 GLU CA . 19479 1 209 . 1 1 20 20 GLU CB C 13 29.887 0.008 . . . . . A 21 GLU CB . 19479 1 210 . 1 1 20 20 GLU CG C 13 36.356 0.002 . . . . . A 21 GLU CG . 19479 1 211 . 1 1 20 20 GLU N N 15 118.948 0.008 . . . . . A 21 GLU N . 19479 1 212 . 1 1 21 21 ILE H H 1 8.409 0.001 . . . . . A 22 ILE H . 19479 1 213 . 1 1 21 21 ILE HA H 1 3.780 0.001 . . . . . A 22 ILE HA . 19479 1 214 . 1 1 21 21 ILE HB H 1 2.240 0.000 . . . . . A 22 ILE HB . 19479 1 215 . 1 1 21 21 ILE HG12 H 1 2.091 0.001 . . . . . A 22 ILE HG12 . 19479 1 216 . 1 1 21 21 ILE HG13 H 1 1.212 0.005 . . . . . A 22 ILE HG13 . 19479 1 217 . 1 1 21 21 ILE HG21 H 1 1.136 0.002 . . . . . A 22 ILE HG21 . 19479 1 218 . 1 1 21 21 ILE HG22 H 1 1.136 0.002 . . . . . A 22 ILE HG22 . 19479 1 219 . 1 1 21 21 ILE HG23 H 1 1.136 0.002 . . . . . A 22 ILE HG23 . 19479 1 220 . 1 1 21 21 ILE HD11 H 1 0.883 0.001 . . . . . A 22 ILE HD11 . 19479 1 221 . 1 1 21 21 ILE HD12 H 1 0.883 0.001 . . . . . A 22 ILE HD12 . 19479 1 222 . 1 1 21 21 ILE HD13 H 1 0.883 0.001 . . . . . A 22 ILE HD13 . 19479 1 223 . 1 1 21 21 ILE CA C 13 65.850 0.012 . . . . . A 22 ILE CA . 19479 1 224 . 1 1 21 21 ILE CB C 13 38.677 0.011 . . . . . A 22 ILE CB . 19479 1 225 . 1 1 21 21 ILE CG1 C 13 29.039 0.009 . . . . . A 22 ILE CG1 . 19479 1 226 . 1 1 21 21 ILE CG2 C 13 18.024 0.008 . . . . . A 22 ILE CG2 . 19479 1 227 . 1 1 21 21 ILE CD1 C 13 13.927 0.000 . . . . . A 22 ILE CD1 . 19479 1 228 . 1 1 21 21 ILE N N 15 120.355 0.009 . . . . . A 22 ILE N . 19479 1 229 . 1 1 22 22 TRP H H 1 9.551 0.002 . . . . . A 23 TRP H . 19479 1 230 . 1 1 22 22 TRP HA H 1 4.191 0.002 . . . . . A 23 TRP HA . 19479 1 231 . 1 1 22 22 TRP HB2 H 1 3.341 0.000 . . . . . A 23 TRP HB2 . 19479 1 232 . 1 1 22 22 TRP HB3 H 1 3.307 0.000 . . . . . A 23 TRP HB3 . 19479 1 233 . 1 1 22 22 TRP HD1 H 1 6.911 0.000 . . . . . A 23 TRP HD1 . 19479 1 234 . 1 1 22 22 TRP HE1 H 1 7.235 0.000 . . . . . A 23 TRP HE1 . 19479 1 235 . 1 1 22 22 TRP HE3 H 1 7.584 0.000 . . . . . A 23 TRP HE3 . 19479 1 236 . 1 1 22 22 TRP HZ2 H 1 6.834 0.000 . . . . . A 23 TRP HZ2 . 19479 1 237 . 1 1 22 22 TRP HZ3 H 1 7.232 0.000 . . . . . A 23 TRP HZ3 . 19479 1 238 . 1 1 22 22 TRP HH2 H 1 7.482 0.000 . . . . . A 23 TRP HH2 . 19479 1 239 . 1 1 22 22 TRP CA C 13 61.819 0.014 . . . . . A 23 TRP CA . 19479 1 240 . 1 1 22 22 TRP CB C 13 29.177 0.010 . . . . . A 23 TRP CB . 19479 1 241 . 1 1 22 22 TRP CD1 C 13 122.959 0.000 . . . . . A 23 TRP CD1 . 19479 1 242 . 1 1 22 22 TRP CE3 C 13 121.085 0.000 . . . . . A 23 TRP CE3 . 19479 1 243 . 1 1 22 22 TRP CZ2 C 13 112.693 0.000 . . . . . A 23 TRP CZ2 . 19479 1 244 . 1 1 22 22 TRP CZ3 C 13 123.438 0.000 . . . . . A 23 TRP CZ3 . 19479 1 245 . 1 1 22 22 TRP CH2 C 13 126.653 0.000 . . . . . A 23 TRP CH2 . 19479 1 246 . 1 1 22 22 TRP N N 15 120.272 0.011 . . . . . A 23 TRP N . 19479 1 247 . 1 1 22 22 TRP NE1 N 15 117.712 0.000 . . . . . A 23 TRP NE1 . 19479 1 248 . 1 1 23 23 GLU H H 1 9.039 0.003 . . . . . A 24 GLU H . 19479 1 249 . 1 1 23 23 GLU HA H 1 4.210 0.001 . . . . . A 24 GLU HA . 19479 1 250 . 1 1 23 23 GLU HB2 H 1 2.269 0.004 . . . . . A 24 GLU HB2 . 19479 1 251 . 1 1 23 23 GLU HB3 H 1 2.176 0.001 . . . . . A 24 GLU HB3 . 19479 1 252 . 1 1 23 23 GLU HG2 H 1 2.872 0.003 . . . . . A 24 GLU HG2 . 19479 1 253 . 1 1 23 23 GLU HG3 H 1 2.447 0.002 . . . . . A 24 GLU HG3 . 19479 1 254 . 1 1 23 23 GLU CA C 13 60.695 0.016 . . . . . A 24 GLU CA . 19479 1 255 . 1 1 23 23 GLU CB C 13 29.397 0.036 . . . . . A 24 GLU CB . 19479 1 256 . 1 1 23 23 GLU CG C 13 37.860 0.004 . . . . . A 24 GLU CG . 19479 1 257 . 1 1 23 23 GLU N N 15 119.281 0.023 . . . . . A 24 GLU N . 19479 1 258 . 1 1 24 24 ARG H H 1 8.060 0.001 . . . . . A 25 ARG H . 19479 1 259 . 1 1 24 24 ARG HA H 1 4.205 0.001 . . . . . A 25 ARG HA . 19479 1 260 . 1 1 24 24 ARG HB2 H 1 2.109 0.003 . . . . . A 25 ARG HB2 . 19479 1 261 . 1 1 24 24 ARG HB3 H 1 2.048 0.003 . . . . . A 25 ARG HB3 . 19479 1 262 . 1 1 24 24 ARG HG2 H 1 1.819 0.003 . . . . . A 25 ARG HG2 . 19479 1 263 . 1 1 24 24 ARG HG3 H 1 1.819 0.003 . . . . . A 25 ARG HG3 . 19479 1 264 . 1 1 24 24 ARG HD2 H 1 3.276 0.002 . . . . . A 25 ARG HD2 . 19479 1 265 . 1 1 24 24 ARG HD3 H 1 3.276 0.002 . . . . . A 25 ARG HD3 . 19479 1 266 . 1 1 24 24 ARG CA C 13 59.015 0.021 . . . . . A 25 ARG CA . 19479 1 267 . 1 1 24 24 ARG CB C 13 30.246 0.031 . . . . . A 25 ARG CB . 19479 1 268 . 1 1 24 24 ARG CG C 13 27.352 0.005 . . . . . A 25 ARG CG . 19479 1 269 . 1 1 24 24 ARG CD C 13 43.746 0.001 . . . . . A 25 ARG CD . 19479 1 270 . 1 1 24 24 ARG N N 15 119.408 0.021 . . . . . A 25 ARG N . 19479 1 271 . 1 1 25 25 VAL H H 1 8.475 0.001 . . . . . A 26 VAL H . 19479 1 272 . 1 1 25 25 VAL HA H 1 3.782 0.002 . . . . . A 26 VAL HA . 19479 1 273 . 1 1 25 25 VAL HB H 1 1.998 0.003 . . . . . A 26 VAL HB . 19479 1 274 . 1 1 25 25 VAL HG11 H 1 1.057 0.000 . . . . . A 26 VAL HG11 . 19479 1 275 . 1 1 25 25 VAL HG12 H 1 1.057 0.000 . . . . . A 26 VAL HG12 . 19479 1 276 . 1 1 25 25 VAL HG13 H 1 1.057 0.000 . . . . . A 26 VAL HG13 . 19479 1 277 . 1 1 25 25 VAL HG21 H 1 1.015 0.001 . . . . . A 26 VAL HG21 . 19479 1 278 . 1 1 25 25 VAL HG22 H 1 1.015 0.001 . . . . . A 26 VAL HG22 . 19479 1 279 . 1 1 25 25 VAL HG23 H 1 1.015 0.001 . . . . . A 26 VAL HG23 . 19479 1 280 . 1 1 25 25 VAL CA C 13 65.845 0.008 . . . . . A 26 VAL CA . 19479 1 281 . 1 1 25 25 VAL CB C 13 32.717 0.008 . . . . . A 26 VAL CB . 19479 1 282 . 1 1 25 25 VAL CG1 C 13 22.889 0.067 . . . . . A 26 VAL CG1 . 19479 1 283 . 1 1 25 25 VAL CG2 C 13 22.223 0.008 . . . . . A 26 VAL CG2 . 19479 1 284 . 1 1 25 25 VAL N N 15 119.220 0.008 . . . . . A 26 VAL N . 19479 1 285 . 1 1 26 26 LEU H H 1 9.005 0.001 . . . . . A 27 LEU H . 19479 1 286 . 1 1 26 26 LEU HA H 1 4.018 0.002 . . . . . A 27 LEU HA . 19479 1 287 . 1 1 26 26 LEU HB2 H 1 1.912 0.002 . . . . . A 27 LEU HB2 . 19479 1 288 . 1 1 26 26 LEU HB3 H 1 1.300 0.003 . . . . . A 27 LEU HB3 . 19479 1 289 . 1 1 26 26 LEU HG H 1 1.484 0.005 . . . . . A 27 LEU HG . 19479 1 290 . 1 1 26 26 LEU HD11 H 1 0.495 0.002 . . . . . A 27 LEU HD11 . 19479 1 291 . 1 1 26 26 LEU HD12 H 1 0.495 0.002 . . . . . A 27 LEU HD12 . 19479 1 292 . 1 1 26 26 LEU HD13 H 1 0.495 0.002 . . . . . A 27 LEU HD13 . 19479 1 293 . 1 1 26 26 LEU HD21 H 1 0.071 0.000 . . . . . A 27 LEU HD21 . 19479 1 294 . 1 1 26 26 LEU HD22 H 1 0.071 0.000 . . . . . A 27 LEU HD22 . 19479 1 295 . 1 1 26 26 LEU HD23 H 1 0.071 0.000 . . . . . A 27 LEU HD23 . 19479 1 296 . 1 1 26 26 LEU CA C 13 55.757 0.012 . . . . . A 27 LEU CA . 19479 1 297 . 1 1 26 26 LEU CB C 13 42.504 0.010 . . . . . A 27 LEU CB . 19479 1 298 . 1 1 26 26 LEU CG C 13 27.090 0.037 . . . . . A 27 LEU CG . 19479 1 299 . 1 1 26 26 LEU CD1 C 13 25.386 0.003 . . . . . A 27 LEU CD1 . 19479 1 300 . 1 1 26 26 LEU CD2 C 13 21.906 0.009 . . . . . A 27 LEU CD2 . 19479 1 301 . 1 1 26 26 LEU N N 15 116.095 0.009 . . . . . A 27 LEU N . 19479 1 302 . 1 1 27 27 GLY H H 1 8.056 0.002 . . . . . A 28 GLY H . 19479 1 303 . 1 1 27 27 GLY HA2 H 1 3.928 0.002 . . . . . A 28 GLY HA2 . 19479 1 304 . 1 1 27 27 GLY HA3 H 1 3.928 0.002 . . . . . A 28 GLY HA3 . 19479 1 305 . 1 1 27 27 GLY CA C 13 46.721 0.018 . . . . . A 28 GLY CA . 19479 1 306 . 1 1 27 27 GLY N N 15 108.722 0.008 . . . . . A 28 GLY N . 19479 1 307 . 1 1 28 28 VAL H H 1 7.044 0.001 . . . . . A 29 VAL H . 19479 1 308 . 1 1 28 28 VAL HA H 1 4.457 0.002 . . . . . A 29 VAL HA . 19479 1 309 . 1 1 28 28 VAL HB H 1 1.966 0.002 . . . . . A 29 VAL HB . 19479 1 310 . 1 1 28 28 VAL HG11 H 1 0.897 0.000 . . . . . A 29 VAL HG11 . 19479 1 311 . 1 1 28 28 VAL HG12 H 1 0.897 0.000 . . . . . A 29 VAL HG12 . 19479 1 312 . 1 1 28 28 VAL HG13 H 1 0.897 0.000 . . . . . A 29 VAL HG13 . 19479 1 313 . 1 1 28 28 VAL HG21 H 1 0.846 0.005 . . . . . A 29 VAL HG21 . 19479 1 314 . 1 1 28 28 VAL HG22 H 1 0.846 0.005 . . . . . A 29 VAL HG22 . 19479 1 315 . 1 1 28 28 VAL HG23 H 1 0.846 0.005 . . . . . A 29 VAL HG23 . 19479 1 316 . 1 1 28 28 VAL CA C 13 59.845 0.023 . . . . . A 29 VAL CA . 19479 1 317 . 1 1 28 28 VAL CB C 13 35.477 0.006 . . . . . A 29 VAL CB . 19479 1 318 . 1 1 28 28 VAL CG1 C 13 21.276 0.003 . . . . . A 29 VAL CG1 . 19479 1 319 . 1 1 28 28 VAL CG2 C 13 20.020 0.002 . . . . . A 29 VAL CG2 . 19479 1 320 . 1 1 28 28 VAL N N 15 115.103 0.006 . . . . . A 29 VAL N . 19479 1 321 . 1 1 29 29 SER H H 1 8.151 0.001 . . . . . A 30 SER H . 19479 1 322 . 1 1 29 29 SER HA H 1 4.683 0.002 . . . . . A 30 SER HA . 19479 1 323 . 1 1 29 29 SER HB2 H 1 3.751 0.002 . . . . . A 30 SER HB2 . 19479 1 324 . 1 1 29 29 SER HB3 H 1 3.751 0.002 . . . . . A 30 SER HB3 . 19479 1 325 . 1 1 29 29 SER CA C 13 56.970 0.031 . . . . . A 30 SER CA . 19479 1 326 . 1 1 29 29 SER CB C 13 65.294 0.004 . . . . . A 30 SER CB . 19479 1 327 . 1 1 29 29 SER N N 15 115.417 0.008 . . . . . A 30 SER N . 19479 1 328 . 1 1 30 30 GLY H H 1 8.573 0.001 . . . . . A 31 GLY H . 19479 1 329 . 1 1 30 30 GLY HA2 H 1 3.882 0.002 . . . . . A 31 GLY HA2 . 19479 1 330 . 1 1 30 30 GLY HA3 H 1 3.753 0.003 . . . . . A 31 GLY HA3 . 19479 1 331 . 1 1 30 30 GLY CA C 13 46.545 0.016 . . . . . A 31 GLY CA . 19479 1 332 . 1 1 30 30 GLY N N 15 112.008 0.007 . . . . . A 31 GLY N . 19479 1 333 . 1 1 31 31 ILE H H 1 8.241 0.001 . . . . . A 32 ILE H . 19479 1 334 . 1 1 31 31 ILE HA H 1 3.898 0.002 . . . . . A 32 ILE HA . 19479 1 335 . 1 1 31 31 ILE HB H 1 1.814 0.001 . . . . . A 32 ILE HB . 19479 1 336 . 1 1 31 31 ILE HG12 H 1 1.688 0.009 . . . . . A 32 ILE HG12 . 19479 1 337 . 1 1 31 31 ILE HG13 H 1 1.095 0.007 . . . . . A 32 ILE HG13 . 19479 1 338 . 1 1 31 31 ILE HG21 H 1 1.198 0.002 . . . . . A 32 ILE HG21 . 19479 1 339 . 1 1 31 31 ILE HG22 H 1 1.198 0.002 . . . . . A 32 ILE HG22 . 19479 1 340 . 1 1 31 31 ILE HG23 H 1 1.198 0.002 . . . . . A 32 ILE HG23 . 19479 1 341 . 1 1 31 31 ILE HD11 H 1 1.096 0.002 . . . . . A 32 ILE HD11 . 19479 1 342 . 1 1 31 31 ILE HD12 H 1 1.096 0.002 . . . . . A 32 ILE HD12 . 19479 1 343 . 1 1 31 31 ILE HD13 H 1 1.096 0.002 . . . . . A 32 ILE HD13 . 19479 1 344 . 1 1 31 31 ILE CA C 13 63.126 0.034 . . . . . A 32 ILE CA . 19479 1 345 . 1 1 31 31 ILE CB C 13 38.993 0.007 . . . . . A 32 ILE CB . 19479 1 346 . 1 1 31 31 ILE CG1 C 13 28.463 0.005 . . . . . A 32 ILE CG1 . 19479 1 347 . 1 1 31 31 ILE CG2 C 13 18.557 0.001 . . . . . A 32 ILE CG2 . 19479 1 348 . 1 1 31 31 ILE CD1 C 13 15.653 0.001 . . . . . A 32 ILE CD1 . 19479 1 349 . 1 1 31 31 ILE N N 15 121.204 0.008 . . . . . A 32 ILE N . 19479 1 350 . 1 1 32 32 GLY H H 1 8.760 0.001 . . . . . A 33 GLY H . 19479 1 351 . 1 1 32 32 GLY HA2 H 1 4.454 0.006 . . . . . A 33 GLY HA2 . 19479 1 352 . 1 1 32 32 GLY HA3 H 1 3.654 0.003 . . . . . A 33 GLY HA3 . 19479 1 353 . 1 1 32 32 GLY CA C 13 44.330 0.010 . . . . . A 33 GLY CA . 19479 1 354 . 1 1 32 32 GLY N N 15 115.038 0.008 . . . . . A 33 GLY N . 19479 1 355 . 1 1 33 33 ILE H H 1 8.566 0.002 . . . . . A 34 ILE H . 19479 1 356 . 1 1 33 33 ILE HA H 1 4.017 0.000 . . . . . A 34 ILE HA . 19479 1 357 . 1 1 33 33 ILE HB H 1 1.759 0.001 . . . . . A 34 ILE HB . 19479 1 358 . 1 1 33 33 ILE HG21 H 1 0.667 0.003 . . . . . A 34 ILE HG21 . 19479 1 359 . 1 1 33 33 ILE HG22 H 1 0.667 0.003 . . . . . A 34 ILE HG22 . 19479 1 360 . 1 1 33 33 ILE HG23 H 1 0.667 0.003 . . . . . A 34 ILE HG23 . 19479 1 361 . 1 1 33 33 ILE HD11 H 1 0.746 0.000 . . . . . A 34 ILE HD11 . 19479 1 362 . 1 1 33 33 ILE HD12 H 1 0.746 0.000 . . . . . A 34 ILE HD12 . 19479 1 363 . 1 1 33 33 ILE HD13 H 1 0.746 0.000 . . . . . A 34 ILE HD13 . 19479 1 364 . 1 1 33 33 ILE CA C 13 64.500 0.025 . . . . . A 34 ILE CA . 19479 1 365 . 1 1 33 33 ILE CB C 13 37.731 0.011 . . . . . A 34 ILE CB . 19479 1 366 . 1 1 33 33 ILE CG1 C 13 25.461 0.000 . . . . . A 34 ILE CG1 . 19479 1 367 . 1 1 33 33 ILE CG2 C 13 17.849 0.001 . . . . . A 34 ILE CG2 . 19479 1 368 . 1 1 33 33 ILE CD1 C 13 14.535 0.013 . . . . . A 34 ILE CD1 . 19479 1 369 . 1 1 33 33 ILE N N 15 110.067 0.011 . . . . . A 34 ILE N . 19479 1 370 . 1 1 34 34 LEU H H 1 8.191 0.002 . . . . . A 35 LEU H . 19479 1 371 . 1 1 34 34 LEU HA H 1 4.692 0.002 . . . . . A 35 LEU HA . 19479 1 372 . 1 1 34 34 LEU HB2 H 1 1.744 0.002 . . . . . A 35 LEU HB2 . 19479 1 373 . 1 1 34 34 LEU HB3 H 1 1.744 0.002 . . . . . A 35 LEU HB3 . 19479 1 374 . 1 1 34 34 LEU HG H 1 1.379 0.006 . . . . . A 35 LEU HG . 19479 1 375 . 1 1 34 34 LEU HD11 H 1 0.939 0.002 . . . . . A 35 LEU HD11 . 19479 1 376 . 1 1 34 34 LEU HD12 H 1 0.939 0.002 . . . . . A 35 LEU HD12 . 19479 1 377 . 1 1 34 34 LEU HD13 H 1 0.939 0.002 . . . . . A 35 LEU HD13 . 19479 1 378 . 1 1 34 34 LEU HD21 H 1 0.853 0.003 . . . . . A 35 LEU HD21 . 19479 1 379 . 1 1 34 34 LEU HD22 H 1 0.853 0.003 . . . . . A 35 LEU HD22 . 19479 1 380 . 1 1 34 34 LEU HD23 H 1 0.853 0.003 . . . . . A 35 LEU HD23 . 19479 1 381 . 1 1 34 34 LEU CA C 13 53.247 0.025 . . . . . A 35 LEU CA . 19479 1 382 . 1 1 34 34 LEU CB C 13 42.094 0.005 . . . . . A 35 LEU CB . 19479 1 383 . 1 1 34 34 LEU CG C 13 27.210 0.053 . . . . . A 35 LEU CG . 19479 1 384 . 1 1 34 34 LEU CD1 C 13 25.952 0.012 . . . . . A 35 LEU CD1 . 19479 1 385 . 1 1 34 34 LEU CD2 C 13 22.736 0.006 . . . . . A 35 LEU CD2 . 19479 1 386 . 1 1 34 34 LEU N N 15 117.052 0.009 . . . . . A 35 LEU N . 19479 1 387 . 1 1 35 35 ASP H H 1 7.098 0.002 . . . . . A 36 ASP H . 19479 1 388 . 1 1 35 35 ASP HA H 1 4.387 0.002 . . . . . A 36 ASP HA . 19479 1 389 . 1 1 35 35 ASP HB2 H 1 2.790 0.007 . . . . . A 36 ASP HB2 . 19479 1 390 . 1 1 35 35 ASP HB3 H 1 2.594 0.001 . . . . . A 36 ASP HB3 . 19479 1 391 . 1 1 35 35 ASP CA C 13 55.244 0.016 . . . . . A 36 ASP CA . 19479 1 392 . 1 1 35 35 ASP CB C 13 41.170 0.017 . . . . . A 36 ASP CB . 19479 1 393 . 1 1 35 35 ASP N N 15 121.535 0.010 . . . . . A 36 ASP N . 19479 1 394 . 1 1 36 36 ASN H H 1 9.116 0.001 . . . . . A 37 ASN H . 19479 1 395 . 1 1 36 36 ASN HA H 1 4.954 0.001 . . . . . A 37 ASN HA . 19479 1 396 . 1 1 36 36 ASN HB2 H 1 2.837 0.001 . . . . . A 37 ASN HB2 . 19479 1 397 . 1 1 36 36 ASN HB3 H 1 2.837 0.001 . . . . . A 37 ASN HB3 . 19479 1 398 . 1 1 36 36 ASN CA C 13 53.319 0.017 . . . . . A 37 ASN CA . 19479 1 399 . 1 1 36 36 ASN CB C 13 39.610 0.019 . . . . . A 37 ASN CB . 19479 1 400 . 1 1 36 36 ASN N N 15 123.266 0.010 . . . . . A 37 ASN N . 19479 1 401 . 1 1 37 37 PHE H H 1 9.344 0.002 . . . . . A 38 PHE H . 19479 1 402 . 1 1 37 37 PHE HA H 1 3.393 0.000 . . . . . A 38 PHE HA . 19479 1 403 . 1 1 37 37 PHE HB2 H 1 2.751 0.000 . . . . . A 38 PHE HB2 . 19479 1 404 . 1 1 37 37 PHE HB3 H 1 1.776 0.000 . . . . . A 38 PHE HB3 . 19479 1 405 . 1 1 37 37 PHE HD1 H 1 4.669 0.000 . . . . . A 38 PHE HD1 . 19479 1 406 . 1 1 37 37 PHE HD2 H 1 4.669 0.000 . . . . . A 38 PHE HD2 . 19479 1 407 . 1 1 37 37 PHE HE1 H 1 6.177 0.000 . . . . . A 38 PHE HE1 . 19479 1 408 . 1 1 37 37 PHE HE2 H 1 6.177 0.000 . . . . . A 38 PHE HE2 . 19479 1 409 . 1 1 37 37 PHE HZ H 1 6.289 0.000 . . . . . A 38 PHE HZ . 19479 1 410 . 1 1 37 37 PHE CA C 13 61.965 0.024 . . . . . A 38 PHE CA . 19479 1 411 . 1 1 37 37 PHE CB C 13 40.851 0.005 . . . . . A 38 PHE CB . 19479 1 412 . 1 1 37 37 PHE CD1 C 13 131.421 0.000 . . . . . A 38 PHE CD1 . 19479 1 413 . 1 1 37 37 PHE CE1 C 13 129.419 0.000 . . . . . A 38 PHE CE1 . 19479 1 414 . 1 1 37 37 PHE CZ C 13 127.466 0.000 . . . . . A 38 PHE CZ . 19479 1 415 . 1 1 37 37 PHE N N 15 126.469 0.007 . . . . . A 38 PHE N . 19479 1 416 . 1 1 38 38 PHE H H 1 8.052 0.001 . . . . . A 39 PHE H . 19479 1 417 . 1 1 38 38 PHE HA H 1 3.933 0.001 . . . . . A 39 PHE HA . 19479 1 418 . 1 1 38 38 PHE HB2 H 1 3.313 0.000 . . . . . A 39 PHE HB2 . 19479 1 419 . 1 1 38 38 PHE HB3 H 1 3.001 0.000 . . . . . A 39 PHE HB3 . 19479 1 420 . 1 1 38 38 PHE HD1 H 1 7.355 0.000 . . . . . A 39 PHE HD1 . 19479 1 421 . 1 1 38 38 PHE HD2 H 1 7.355 0.000 . . . . . A 39 PHE HD2 . 19479 1 422 . 1 1 38 38 PHE HE1 H 1 6.962 0.000 . . . . . A 39 PHE HE1 . 19479 1 423 . 1 1 38 38 PHE HE2 H 1 6.962 0.000 . . . . . A 39 PHE HE2 . 19479 1 424 . 1 1 38 38 PHE HZ H 1 6.104 0.000 . . . . . A 39 PHE HZ . 19479 1 425 . 1 1 38 38 PHE CA C 13 59.682 0.022 . . . . . A 39 PHE CA . 19479 1 426 . 1 1 38 38 PHE CB C 13 38.040 0.022 . . . . . A 39 PHE CB . 19479 1 427 . 1 1 38 38 PHE CD2 C 13 132.163 0.000 . . . . . A 39 PHE CD2 . 19479 1 428 . 1 1 38 38 PHE CE2 C 13 130.591 0.000 . . . . . A 39 PHE CE2 . 19479 1 429 . 1 1 38 38 PHE CZ C 13 129.173 0.000 . . . . . A 39 PHE CZ . 19479 1 430 . 1 1 38 38 PHE N N 15 112.189 0.014 . . . . . A 39 PHE N . 19479 1 431 . 1 1 39 39 GLN H H 1 8.297 0.002 . . . . . A 40 GLN H . 19479 1 432 . 1 1 39 39 GLN HA H 1 4.392 0.000 . . . . . A 40 GLN HA . 19479 1 433 . 1 1 39 39 GLN HB2 H 1 2.446 0.001 . . . . . A 40 GLN HB2 . 19479 1 434 . 1 1 39 39 GLN HB3 H 1 2.417 0.000 . . . . . A 40 GLN HB3 . 19479 1 435 . 1 1 39 39 GLN HG2 H 1 2.461 0.005 . . . . . A 40 GLN HG2 . 19479 1 436 . 1 1 39 39 GLN HG3 H 1 2.461 0.005 . . . . . A 40 GLN HG3 . 19479 1 437 . 1 1 39 39 GLN CA C 13 57.191 0.034 . . . . . A 40 GLN CA . 19479 1 438 . 1 1 39 39 GLN CB C 13 29.466 0.019 . . . . . A 40 GLN CB . 19479 1 439 . 1 1 39 39 GLN CG C 13 34.054 0.006 . . . . . A 40 GLN CG . 19479 1 440 . 1 1 39 39 GLN N N 15 119.928 0.011 . . . . . A 40 GLN N . 19479 1 441 . 1 1 40 40 ILE H H 1 7.133 0.002 . . . . . A 41 ILE H . 19479 1 442 . 1 1 40 40 ILE HA H 1 4.493 0.004 . . . . . A 41 ILE HA . 19479 1 443 . 1 1 40 40 ILE HB H 1 2.164 0.000 . . . . . A 41 ILE HB . 19479 1 444 . 1 1 40 40 ILE HG12 H 1 1.288 0.001 . . . . . A 41 ILE HG12 . 19479 1 445 . 1 1 40 40 ILE HG13 H 1 1.129 0.001 . . . . . A 41 ILE HG13 . 19479 1 446 . 1 1 40 40 ILE HG21 H 1 0.963 0.001 . . . . . A 41 ILE HG21 . 19479 1 447 . 1 1 40 40 ILE HG22 H 1 0.963 0.001 . . . . . A 41 ILE HG22 . 19479 1 448 . 1 1 40 40 ILE HG23 H 1 0.963 0.001 . . . . . A 41 ILE HG23 . 19479 1 449 . 1 1 40 40 ILE HD11 H 1 0.958 0.005 . . . . . A 41 ILE HD11 . 19479 1 450 . 1 1 40 40 ILE HD12 H 1 0.958 0.005 . . . . . A 41 ILE HD12 . 19479 1 451 . 1 1 40 40 ILE HD13 H 1 0.958 0.005 . . . . . A 41 ILE HD13 . 19479 1 452 . 1 1 40 40 ILE CA C 13 61.348 0.038 . . . . . A 41 ILE CA . 19479 1 453 . 1 1 40 40 ILE CB C 13 37.882 0.037 . . . . . A 41 ILE CB . 19479 1 454 . 1 1 40 40 ILE CG1 C 13 25.445 0.018 . . . . . A 41 ILE CG1 . 19479 1 455 . 1 1 40 40 ILE CG2 C 13 17.852 0.009 . . . . . A 41 ILE CG2 . 19479 1 456 . 1 1 40 40 ILE CD1 C 13 15.476 0.000 . . . . . A 41 ILE CD1 . 19479 1 457 . 1 1 40 40 ILE N N 15 110.997 0.014 . . . . . A 41 ILE N . 19479 1 458 . 1 1 41 41 GLY H H 1 7.433 0.004 . . . . . A 42 GLY H . 19479 1 459 . 1 1 41 41 GLY HA2 H 1 4.342 0.004 . . . . . A 42 GLY HA2 . 19479 1 460 . 1 1 41 41 GLY HA3 H 1 3.508 0.004 . . . . . A 42 GLY HA3 . 19479 1 461 . 1 1 41 41 GLY CA C 13 44.679 0.016 . . . . . A 42 GLY CA . 19479 1 462 . 1 1 41 41 GLY N N 15 106.355 0.009 . . . . . A 42 GLY N . 19479 1 463 . 1 1 42 42 GLY H H 1 7.826 0.002 . . . . . A 43 GLY H . 19479 1 464 . 1 1 42 42 GLY HA2 H 1 2.663 0.007 . . . . . A 43 GLY HA2 . 19479 1 465 . 1 1 42 42 GLY HA3 H 1 1.882 0.000 . . . . . A 43 GLY HA3 . 19479 1 466 . 1 1 42 42 GLY CA C 13 45.389 0.022 . . . . . A 43 GLY CA . 19479 1 467 . 1 1 42 42 GLY N N 15 107.808 0.006 . . . . . A 43 GLY N . 19479 1 468 . 1 1 43 43 HIS H H 1 6.369 0.007 . . . . . A 44 HIS H . 19479 1 469 . 1 1 43 43 HIS HA H 1 4.979 0.002 . . . . . A 44 HIS HA . 19479 1 470 . 1 1 43 43 HIS HB2 H 1 3.552 0.000 . . . . . A 44 HIS HB2 . 19479 1 471 . 1 1 43 43 HIS HB3 H 1 3.435 0.000 . . . . . A 44 HIS HB3 . 19479 1 472 . 1 1 43 43 HIS HD2 H 1 7.112 0.000 . . . . . A 44 HIS HD2 . 19479 1 473 . 1 1 43 43 HIS HE1 H 1 7.875 0.000 . . . . . A 44 HIS HE1 . 19479 1 474 . 1 1 43 43 HIS CA C 13 54.773 0.008 . . . . . A 44 HIS CA . 19479 1 475 . 1 1 43 43 HIS CB C 13 31.867 0.000 . . . . . A 44 HIS CB . 19479 1 476 . 1 1 43 43 HIS CD2 C 13 120.574 0.000 . . . . . A 44 HIS CD2 . 19479 1 477 . 1 1 43 43 HIS CE1 C 13 139.531 0.000 . . . . . A 44 HIS CE1 . 19479 1 478 . 1 1 43 43 HIS N N 15 112.337 0.025 . . . . . A 44 HIS N . 19479 1 479 . 1 1 44 44 ALA HA H 1 4.264 0.000 . . . . . A 45 ALA HA . 19479 1 480 . 1 1 44 44 ALA HB1 H 1 1.756 0.001 . . . . . A 45 ALA HB1 . 19479 1 481 . 1 1 44 44 ALA HB2 H 1 1.756 0.001 . . . . . A 45 ALA HB2 . 19479 1 482 . 1 1 44 44 ALA HB3 H 1 1.756 0.001 . . . . . A 45 ALA HB3 . 19479 1 483 . 1 1 44 44 ALA CA C 13 57.581 0.128 . . . . . A 45 ALA CA . 19479 1 484 . 1 1 44 44 ALA CB C 13 18.718 0.002 . . . . . A 45 ALA CB . 19479 1 485 . 1 1 45 45 LEU H H 1 8.807 0.003 . . . . . A 46 LEU H . 19479 1 486 . 1 1 45 45 LEU HA H 1 4.420 0.002 . . . . . A 46 LEU HA . 19479 1 487 . 1 1 45 45 LEU HB2 H 1 1.958 0.005 . . . . . A 46 LEU HB2 . 19479 1 488 . 1 1 45 45 LEU HB3 H 1 1.754 0.003 . . . . . A 46 LEU HB3 . 19479 1 489 . 1 1 45 45 LEU HG H 1 1.851 0.002 . . . . . A 46 LEU HG . 19479 1 490 . 1 1 45 45 LEU HD11 H 1 1.000 0.002 . . . . . A 46 LEU HD11 . 19479 1 491 . 1 1 45 45 LEU HD12 H 1 1.000 0.002 . . . . . A 46 LEU HD12 . 19479 1 492 . 1 1 45 45 LEU HD13 H 1 1.000 0.002 . . . . . A 46 LEU HD13 . 19479 1 493 . 1 1 45 45 LEU HD21 H 1 0.989 0.001 . . . . . A 46 LEU HD21 . 19479 1 494 . 1 1 45 45 LEU HD22 H 1 0.989 0.001 . . . . . A 46 LEU HD22 . 19479 1 495 . 1 1 45 45 LEU HD23 H 1 0.989 0.001 . . . . . A 46 LEU HD23 . 19479 1 496 . 1 1 45 45 LEU CA C 13 58.559 0.033 . . . . . A 46 LEU CA . 19479 1 497 . 1 1 45 45 LEU CB C 13 41.652 0.003 . . . . . A 46 LEU CB . 19479 1 498 . 1 1 45 45 LEU CG C 13 27.792 0.006 . . . . . A 46 LEU CG . 19479 1 499 . 1 1 45 45 LEU CD1 C 13 24.820 0.009 . . . . . A 46 LEU CD1 . 19479 1 500 . 1 1 45 45 LEU CD2 C 13 23.698 0.003 . . . . . A 46 LEU CD2 . 19479 1 501 . 1 1 45 45 LEU N N 15 117.791 0.009 . . . . . A 46 LEU N . 19479 1 502 . 1 1 46 46 LYS H H 1 7.589 0.002 . . . . . A 47 LYS H . 19479 1 503 . 1 1 46 46 LYS HA H 1 4.200 0.000 . . . . . A 47 LYS HA . 19479 1 504 . 1 1 46 46 LYS HB2 H 1 1.634 0.005 . . . . . A 47 LYS HB2 . 19479 1 505 . 1 1 46 46 LYS HB3 H 1 1.335 0.000 . . . . . A 47 LYS HB3 . 19479 1 506 . 1 1 46 46 LYS HG2 H 1 1.210 0.002 . . . . . A 47 LYS HG2 . 19479 1 507 . 1 1 46 46 LYS HG3 H 1 1.053 0.002 . . . . . A 47 LYS HG3 . 19479 1 508 . 1 1 46 46 LYS HD2 H 1 1.361 0.002 . . . . . A 47 LYS HD2 . 19479 1 509 . 1 1 46 46 LYS HD3 H 1 1.050 0.001 . . . . . A 47 LYS HD3 . 19479 1 510 . 1 1 46 46 LYS HE2 H 1 2.929 0.003 . . . . . A 47 LYS HE2 . 19479 1 511 . 1 1 46 46 LYS HE3 H 1 2.929 0.003 . . . . . A 47 LYS HE3 . 19479 1 512 . 1 1 46 46 LYS CA C 13 58.352 0.015 . . . . . A 47 LYS CA . 19479 1 513 . 1 1 46 46 LYS CB C 13 32.994 0.027 . . . . . A 47 LYS CB . 19479 1 514 . 1 1 46 46 LYS CG C 13 25.911 0.006 . . . . . A 47 LYS CG . 19479 1 515 . 1 1 46 46 LYS CD C 13 29.125 0.010 . . . . . A 47 LYS CD . 19479 1 516 . 1 1 46 46 LYS CE C 13 42.092 0.006 . . . . . A 47 LYS CE . 19479 1 517 . 1 1 46 46 LYS N N 15 118.822 0.008 . . . . . A 47 LYS N . 19479 1 518 . 1 1 47 47 ALA H H 1 8.736 0.002 . . . . . A 48 ALA H . 19479 1 519 . 1 1 47 47 ALA HA H 1 3.575 0.009 . . . . . A 48 ALA HA . 19479 1 520 . 1 1 47 47 ALA HB1 H 1 1.439 0.002 . . . . . A 48 ALA HB1 . 19479 1 521 . 1 1 47 47 ALA HB2 H 1 1.439 0.002 . . . . . A 48 ALA HB2 . 19479 1 522 . 1 1 47 47 ALA HB3 H 1 1.439 0.002 . . . . . A 48 ALA HB3 . 19479 1 523 . 1 1 47 47 ALA CA C 13 55.102 0.016 . . . . . A 48 ALA CA . 19479 1 524 . 1 1 47 47 ALA CB C 13 18.239 0.003 . . . . . A 48 ALA CB . 19479 1 525 . 1 1 47 47 ALA N N 15 122.769 0.010 . . . . . A 48 ALA N . 19479 1 526 . 1 1 48 48 MET H H 1 8.000 0.003 . . . . . A 49 MET H . 19479 1 527 . 1 1 48 48 MET HA H 1 4.169 0.000 . . . . . A 49 MET HA . 19479 1 528 . 1 1 48 48 MET HB2 H 1 2.313 0.008 . . . . . A 49 MET HB2 . 19479 1 529 . 1 1 48 48 MET HB3 H 1 2.274 0.000 . . . . . A 49 MET HB3 . 19479 1 530 . 1 1 48 48 MET HG2 H 1 2.925 0.000 . . . . . A 49 MET HG2 . 19479 1 531 . 1 1 48 48 MET HG3 H 1 2.774 0.002 . . . . . A 49 MET HG3 . 19479 1 532 . 1 1 48 48 MET HE1 H 1 2.155 0.000 . . . . . A 49 MET HE1 . 19479 1 533 . 1 1 48 48 MET HE2 H 1 2.155 0.000 . . . . . A 49 MET HE2 . 19479 1 534 . 1 1 48 48 MET HE3 H 1 2.155 0.000 . . . . . A 49 MET HE3 . 19479 1 535 . 1 1 48 48 MET CA C 13 58.869 0.010 . . . . . A 49 MET CA . 19479 1 536 . 1 1 48 48 MET CB C 13 32.511 0.022 . . . . . A 49 MET CB . 19479 1 537 . 1 1 48 48 MET CG C 13 32.527 0.001 . . . . . A 49 MET CG . 19479 1 538 . 1 1 48 48 MET CE C 13 17.100 0.000 . . . . . A 49 MET CE . 19479 1 539 . 1 1 48 48 MET N N 15 116.936 0.009 . . . . . A 49 MET N . 19479 1 540 . 1 1 49 49 ALA H H 1 7.389 0.001 . . . . . A 50 ALA H . 19479 1 541 . 1 1 49 49 ALA HA H 1 4.401 0.002 . . . . . A 50 ALA HA . 19479 1 542 . 1 1 49 49 ALA HB1 H 1 1.659 0.002 . . . . . A 50 ALA HB1 . 19479 1 543 . 1 1 49 49 ALA HB2 H 1 1.659 0.002 . . . . . A 50 ALA HB2 . 19479 1 544 . 1 1 49 49 ALA HB3 H 1 1.659 0.002 . . . . . A 50 ALA HB3 . 19479 1 545 . 1 1 49 49 ALA CA C 13 55.265 0.017 . . . . . A 50 ALA CA . 19479 1 546 . 1 1 49 49 ALA CB C 13 18.320 0.015 . . . . . A 50 ALA CB . 19479 1 547 . 1 1 49 49 ALA N N 15 123.686 0.008 . . . . . A 50 ALA N . 19479 1 548 . 1 1 50 50 VAL H H 1 7.981 0.001 . . . . . A 51 VAL H . 19479 1 549 . 1 1 50 50 VAL HA H 1 3.437 0.002 . . . . . A 51 VAL HA . 19479 1 550 . 1 1 50 50 VAL HB H 1 2.130 0.000 . . . . . A 51 VAL HB . 19479 1 551 . 1 1 50 50 VAL HG11 H 1 0.818 0.007 . . . . . A 51 VAL HG11 . 19479 1 552 . 1 1 50 50 VAL HG12 H 1 0.818 0.007 . . . . . A 51 VAL HG12 . 19479 1 553 . 1 1 50 50 VAL HG13 H 1 0.818 0.007 . . . . . A 51 VAL HG13 . 19479 1 554 . 1 1 50 50 VAL HG21 H 1 0.757 0.005 . . . . . A 51 VAL HG21 . 19479 1 555 . 1 1 50 50 VAL HG22 H 1 0.757 0.005 . . . . . A 51 VAL HG22 . 19479 1 556 . 1 1 50 50 VAL HG23 H 1 0.757 0.005 . . . . . A 51 VAL HG23 . 19479 1 557 . 1 1 50 50 VAL CA C 13 66.975 0.013 . . . . . A 51 VAL CA . 19479 1 558 . 1 1 50 50 VAL CB C 13 31.268 0.012 . . . . . A 51 VAL CB . 19479 1 559 . 1 1 50 50 VAL CG1 C 13 23.219 0.005 . . . . . A 51 VAL CG1 . 19479 1 560 . 1 1 50 50 VAL CG2 C 13 20.940 0.001 . . . . . A 51 VAL CG2 . 19479 1 561 . 1 1 50 50 VAL N N 15 118.885 0.008 . . . . . A 51 VAL N . 19479 1 562 . 1 1 51 51 ALA H H 1 8.499 0.002 . . . . . A 52 ALA H . 19479 1 563 . 1 1 51 51 ALA HA H 1 3.990 0.006 . . . . . A 52 ALA HA . 19479 1 564 . 1 1 51 51 ALA HB1 H 1 1.658 0.004 . . . . . A 52 ALA HB1 . 19479 1 565 . 1 1 51 51 ALA HB2 H 1 1.658 0.004 . . . . . A 52 ALA HB2 . 19479 1 566 . 1 1 51 51 ALA HB3 H 1 1.658 0.004 . . . . . A 52 ALA HB3 . 19479 1 567 . 1 1 51 51 ALA CA C 13 56.056 0.097 . . . . . A 52 ALA CA . 19479 1 568 . 1 1 51 51 ALA CB C 13 18.099 0.004 . . . . . A 52 ALA CB . 19479 1 569 . 1 1 51 51 ALA N N 15 121.555 0.008 . . . . . A 52 ALA N . 19479 1 570 . 1 1 52 52 ALA H H 1 8.238 0.002 . . . . . A 53 ALA H . 19479 1 571 . 1 1 52 52 ALA HA H 1 4.346 0.001 . . . . . A 53 ALA HA . 19479 1 572 . 1 1 52 52 ALA HB1 H 1 1.635 0.002 . . . . . A 53 ALA HB1 . 19479 1 573 . 1 1 52 52 ALA HB2 H 1 1.635 0.002 . . . . . A 53 ALA HB2 . 19479 1 574 . 1 1 52 52 ALA HB3 H 1 1.635 0.002 . . . . . A 53 ALA HB3 . 19479 1 575 . 1 1 52 52 ALA CA C 13 55.454 0.037 . . . . . A 53 ALA CA . 19479 1 576 . 1 1 52 52 ALA CB C 13 18.079 0.010 . . . . . A 53 ALA CB . 19479 1 577 . 1 1 52 52 ALA N N 15 121.958 0.022 . . . . . A 53 ALA N . 19479 1 578 . 1 1 53 53 GLN H H 1 7.914 0.001 . . . . . A 54 GLN H . 19479 1 579 . 1 1 53 53 GLN HA H 1 4.157 0.001 . . . . . A 54 GLN HA . 19479 1 580 . 1 1 53 53 GLN HB2 H 1 2.281 0.003 . . . . . A 54 GLN HB2 . 19479 1 581 . 1 1 53 53 GLN HB3 H 1 2.191 0.004 . . . . . A 54 GLN HB3 . 19479 1 582 . 1 1 53 53 GLN HG2 H 1 2.652 0.002 . . . . . A 54 GLN HG2 . 19479 1 583 . 1 1 53 53 GLN HG3 H 1 2.529 0.002 . . . . . A 54 GLN HG3 . 19479 1 584 . 1 1 53 53 GLN CA C 13 59.303 0.023 . . . . . A 54 GLN CA . 19479 1 585 . 1 1 53 53 GLN CB C 13 28.684 0.013 . . . . . A 54 GLN CB . 19479 1 586 . 1 1 53 53 GLN CG C 13 34.193 0.009 . . . . . A 54 GLN CG . 19479 1 587 . 1 1 53 53 GLN N N 15 118.520 0.016 . . . . . A 54 GLN N . 19479 1 588 . 1 1 54 54 VAL H H 1 8.915 0.001 . . . . . A 55 VAL H . 19479 1 589 . 1 1 54 54 VAL HA H 1 3.673 0.002 . . . . . A 55 VAL HA . 19479 1 590 . 1 1 54 54 VAL HB H 1 2.362 0.001 . . . . . A 55 VAL HB . 19479 1 591 . 1 1 54 54 VAL HG11 H 1 1.115 0.001 . . . . . A 55 VAL HG11 . 19479 1 592 . 1 1 54 54 VAL HG12 H 1 1.115 0.001 . . . . . A 55 VAL HG12 . 19479 1 593 . 1 1 54 54 VAL HG13 H 1 1.115 0.001 . . . . . A 55 VAL HG13 . 19479 1 594 . 1 1 54 54 VAL HG21 H 1 1.125 0.000 . . . . . A 55 VAL HG21 . 19479 1 595 . 1 1 54 54 VAL HG22 H 1 1.125 0.000 . . . . . A 55 VAL HG22 . 19479 1 596 . 1 1 54 54 VAL HG23 H 1 1.125 0.000 . . . . . A 55 VAL HG23 . 19479 1 597 . 1 1 54 54 VAL CA C 13 67.521 0.005 . . . . . A 55 VAL CA . 19479 1 598 . 1 1 54 54 VAL CB C 13 31.569 0.037 . . . . . A 55 VAL CB . 19479 1 599 . 1 1 54 54 VAL CG1 C 13 24.730 0.005 . . . . . A 55 VAL CG1 . 19479 1 600 . 1 1 54 54 VAL CG2 C 13 22.013 0.006 . . . . . A 55 VAL CG2 . 19479 1 601 . 1 1 54 54 VAL N N 15 121.643 0.013 . . . . . A 55 VAL N . 19479 1 602 . 1 1 55 55 HIS H H 1 8.328 0.001 . . . . . A 56 HIS H . 19479 1 603 . 1 1 55 55 HIS HA H 1 4.314 0.001 . . . . . A 56 HIS HA . 19479 1 604 . 1 1 55 55 HIS HB2 H 1 3.463 0.000 . . . . . A 56 HIS HB2 . 19479 1 605 . 1 1 55 55 HIS HB3 H 1 3.237 0.000 . . . . . A 56 HIS HB3 . 19479 1 606 . 1 1 55 55 HIS HD2 H 1 6.588 0.000 . . . . . A 56 HIS HD2 . 19479 1 607 . 1 1 55 55 HIS HE1 H 1 7.754 0.000 . . . . . A 56 HIS HE1 . 19479 1 608 . 1 1 55 55 HIS CA C 13 60.994 0.019 . . . . . A 56 HIS CA . 19479 1 609 . 1 1 55 55 HIS CB C 13 30.226 0.025 . . . . . A 56 HIS CB . 19479 1 610 . 1 1 55 55 HIS CD2 C 13 118.440 0.000 . . . . . A 56 HIS CD2 . 19479 1 611 . 1 1 55 55 HIS CE1 C 13 138.377 0.000 . . . . . A 56 HIS CE1 . 19479 1 612 . 1 1 55 55 HIS N N 15 120.993 0.007 . . . . . A 56 HIS N . 19479 1 613 . 1 1 56 56 ARG H H 1 7.849 0.001 . . . . . A 57 ARG H . 19479 1 614 . 1 1 56 56 ARG HA H 1 3.963 0.002 . . . . . A 57 ARG HA . 19479 1 615 . 1 1 56 56 ARG HB2 H 1 1.985 0.003 . . . . . A 57 ARG HB2 . 19479 1 616 . 1 1 56 56 ARG HB3 H 1 1.985 0.003 . . . . . A 57 ARG HB3 . 19479 1 617 . 1 1 56 56 ARG HG2 H 1 1.793 0.002 . . . . . A 57 ARG HG2 . 19479 1 618 . 1 1 56 56 ARG HG3 H 1 1.675 0.003 . . . . . A 57 ARG HG3 . 19479 1 619 . 1 1 56 56 ARG HD2 H 1 3.239 0.002 . . . . . A 57 ARG HD2 . 19479 1 620 . 1 1 56 56 ARG HD3 H 1 3.239 0.002 . . . . . A 57 ARG HD3 . 19479 1 621 . 1 1 56 56 ARG CA C 13 59.269 0.018 . . . . . A 57 ARG CA . 19479 1 622 . 1 1 56 56 ARG CB C 13 30.220 0.014 . . . . . A 57 ARG CB . 19479 1 623 . 1 1 56 56 ARG CG C 13 27.215 0.006 . . . . . A 57 ARG CG . 19479 1 624 . 1 1 56 56 ARG CD C 13 43.404 0.005 . . . . . A 57 ARG CD . 19479 1 625 . 1 1 56 56 ARG N N 15 119.241 0.008 . . . . . A 57 ARG N . 19479 1 626 . 1 1 57 57 GLU H H 1 7.874 0.002 . . . . . A 58 GLU H . 19479 1 627 . 1 1 57 57 GLU HA H 1 3.944 0.003 . . . . . A 58 GLU HA . 19479 1 628 . 1 1 57 57 GLU HB2 H 1 1.817 0.005 . . . . . A 58 GLU HB2 . 19479 1 629 . 1 1 57 57 GLU HB3 H 1 1.437 0.000 . . . . . A 58 GLU HB3 . 19479 1 630 . 1 1 57 57 GLU HG2 H 1 1.967 0.002 . . . . . A 58 GLU HG2 . 19479 1 631 . 1 1 57 57 GLU HG3 H 1 1.369 0.002 . . . . . A 58 GLU HG3 . 19479 1 632 . 1 1 57 57 GLU CA C 13 58.351 0.022 . . . . . A 58 GLU CA . 19479 1 633 . 1 1 57 57 GLU CB C 13 30.571 0.039 . . . . . A 58 GLU CB . 19479 1 634 . 1 1 57 57 GLU CG C 13 34.923 0.003 . . . . . A 58 GLU CG . 19479 1 635 . 1 1 57 57 GLU N N 15 116.079 0.007 . . . . . A 58 GLU N . 19479 1 636 . 1 1 58 58 TYR H H 1 8.303 0.001 . . . . . A 59 TYR H . 19479 1 637 . 1 1 58 58 TYR HA H 1 4.686 0.001 . . . . . A 59 TYR HA . 19479 1 638 . 1 1 58 58 TYR HB2 H 1 3.210 0.000 . . . . . A 59 TYR HB2 . 19479 1 639 . 1 1 58 58 TYR HB3 H 1 2.578 0.000 . . . . . A 59 TYR HB3 . 19479 1 640 . 1 1 58 58 TYR HD1 H 1 7.114 0.000 . . . . . A 59 TYR HD1 . 19479 1 641 . 1 1 58 58 TYR HD2 H 1 7.114 0.000 . . . . . A 59 TYR HD2 . 19479 1 642 . 1 1 58 58 TYR HE1 H 1 6.582 0.000 . . . . . A 59 TYR HE1 . 19479 1 643 . 1 1 58 58 TYR HE2 H 1 6.582 0.000 . . . . . A 59 TYR HE2 . 19479 1 644 . 1 1 58 58 TYR CA C 13 58.616 0.048 . . . . . A 59 TYR CA . 19479 1 645 . 1 1 58 58 TYR CB C 13 40.589 0.013 . . . . . A 59 TYR CB . 19479 1 646 . 1 1 58 58 TYR CD1 C 13 132.842 0.000 . . . . . A 59 TYR CD1 . 19479 1 647 . 1 1 58 58 TYR CE1 C 13 117.705 0.000 . . . . . A 59 TYR CE1 . 19479 1 648 . 1 1 58 58 TYR N N 15 112.274 0.008 . . . . . A 59 TYR N . 19479 1 649 . 1 1 59 59 GLN H H 1 8.382 0.001 . . . . . A 60 GLN H . 19479 1 650 . 1 1 59 59 GLN HA H 1 3.481 0.002 . . . . . A 60 GLN HA . 19479 1 651 . 1 1 59 59 GLN HB2 H 1 2.269 0.002 . . . . . A 60 GLN HB2 . 19479 1 652 . 1 1 59 59 GLN HB3 H 1 2.216 0.001 . . . . . A 60 GLN HB3 . 19479 1 653 . 1 1 59 59 GLN HG2 H 1 2.207 0.000 . . . . . A 60 GLN HG2 . 19479 1 654 . 1 1 59 59 GLN HG3 H 1 2.130 0.004 . . . . . A 60 GLN HG3 . 19479 1 655 . 1 1 59 59 GLN CA C 13 57.418 0.028 . . . . . A 60 GLN CA . 19479 1 656 . 1 1 59 59 GLN CB C 13 25.628 0.016 . . . . . A 60 GLN CB . 19479 1 657 . 1 1 59 59 GLN CG C 13 34.631 0.003 . . . . . A 60 GLN CG . 19479 1 658 . 1 1 59 59 GLN N N 15 115.629 0.008 . . . . . A 60 GLN N . 19479 1 659 . 1 1 60 60 VAL H H 1 6.532 0.002 . . . . . A 61 VAL H . 19479 1 660 . 1 1 60 60 VAL HA H 1 4.347 0.002 . . . . . A 61 VAL HA . 19479 1 661 . 1 1 60 60 VAL HB H 1 1.696 0.003 . . . . . A 61 VAL HB . 19479 1 662 . 1 1 60 60 VAL HG11 H 1 0.875 0.007 . . . . . A 61 VAL HG11 . 19479 1 663 . 1 1 60 60 VAL HG12 H 1 0.875 0.007 . . . . . A 61 VAL HG12 . 19479 1 664 . 1 1 60 60 VAL HG13 H 1 0.875 0.007 . . . . . A 61 VAL HG13 . 19479 1 665 . 1 1 60 60 VAL HG21 H 1 0.875 0.007 . . . . . A 61 VAL HG21 . 19479 1 666 . 1 1 60 60 VAL HG22 H 1 0.875 0.007 . . . . . A 61 VAL HG22 . 19479 1 667 . 1 1 60 60 VAL HG23 H 1 0.875 0.007 . . . . . A 61 VAL HG23 . 19479 1 668 . 1 1 60 60 VAL CA C 13 60.118 0.022 . . . . . A 61 VAL CA . 19479 1 669 . 1 1 60 60 VAL CB C 13 35.547 0.002 . . . . . A 61 VAL CB . 19479 1 670 . 1 1 60 60 VAL CG1 C 13 21.154 0.077 . . . . . A 61 VAL CG1 . 19479 1 671 . 1 1 60 60 VAL N N 15 114.547 0.005 . . . . . A 61 VAL N . 19479 1 672 . 1 1 61 61 GLU H H 1 8.741 0.001 . . . . . A 62 GLU H . 19479 1 673 . 1 1 61 61 GLU HA H 1 4.270 0.001 . . . . . A 62 GLU HA . 19479 1 674 . 1 1 61 61 GLU HB2 H 1 1.912 0.000 . . . . . A 62 GLU HB2 . 19479 1 675 . 1 1 61 61 GLU HB3 H 1 1.912 0.000 . . . . . A 62 GLU HB3 . 19479 1 676 . 1 1 61 61 GLU HG2 H 1 2.178 0.000 . . . . . A 62 GLU HG2 . 19479 1 677 . 1 1 61 61 GLU HG3 H 1 1.954 0.002 . . . . . A 62 GLU HG3 . 19479 1 678 . 1 1 61 61 GLU CA C 13 55.857 0.031 . . . . . A 62 GLU CA . 19479 1 679 . 1 1 61 61 GLU CB C 13 30.334 0.035 . . . . . A 62 GLU CB . 19479 1 680 . 1 1 61 61 GLU CG C 13 36.303 0.002 . . . . . A 62 GLU CG . 19479 1 681 . 1 1 61 61 GLU N N 15 125.938 0.009 . . . . . A 62 GLU N . 19479 1 682 . 1 1 62 62 LEU H H 1 8.939 0.003 . . . . . A 63 LEU H . 19479 1 683 . 1 1 62 62 LEU HA H 1 4.845 0.002 . . . . . A 63 LEU HA . 19479 1 684 . 1 1 62 62 LEU HB2 H 1 1.827 0.003 . . . . . A 63 LEU HB2 . 19479 1 685 . 1 1 62 62 LEU HB3 H 1 1.224 0.002 . . . . . A 63 LEU HB3 . 19479 1 686 . 1 1 62 62 LEU HG H 1 1.468 0.001 . . . . . A 63 LEU HG . 19479 1 687 . 1 1 62 62 LEU HD11 H 1 0.753 0.000 . . . . . A 63 LEU HD11 . 19479 1 688 . 1 1 62 62 LEU HD12 H 1 0.753 0.000 . . . . . A 63 LEU HD12 . 19479 1 689 . 1 1 62 62 LEU HD13 H 1 0.753 0.000 . . . . . A 63 LEU HD13 . 19479 1 690 . 1 1 62 62 LEU HD21 H 1 0.644 0.002 . . . . . A 63 LEU HD21 . 19479 1 691 . 1 1 62 62 LEU HD22 H 1 0.644 0.002 . . . . . A 63 LEU HD22 . 19479 1 692 . 1 1 62 62 LEU HD23 H 1 0.644 0.002 . . . . . A 63 LEU HD23 . 19479 1 693 . 1 1 62 62 LEU CA C 13 50.751 0.003 . . . . . A 63 LEU CA . 19479 1 694 . 1 1 62 62 LEU CB C 13 43.313 0.000 . . . . . A 63 LEU CB . 19479 1 695 . 1 1 62 62 LEU CG C 13 26.887 0.000 . . . . . A 63 LEU CG . 19479 1 696 . 1 1 62 62 LEU CD1 C 13 26.085 0.000 . . . . . A 63 LEU CD1 . 19479 1 697 . 1 1 62 62 LEU CD2 C 13 24.870 0.000 . . . . . A 63 LEU CD2 . 19479 1 698 . 1 1 62 62 LEU N N 15 127.837 0.009 . . . . . A 63 LEU N . 19479 1 699 . 1 1 63 63 PRO HA H 1 4.446 0.000 . . . . . A 64 PRO HA . 19479 1 700 . 1 1 63 63 PRO HB2 H 1 2.480 0.001 . . . . . A 64 PRO HB2 . 19479 1 701 . 1 1 63 63 PRO HB3 H 1 1.740 0.002 . . . . . A 64 PRO HB3 . 19479 1 702 . 1 1 63 63 PRO HG2 H 1 2.029 0.003 . . . . . A 64 PRO HG2 . 19479 1 703 . 1 1 63 63 PRO HG3 H 1 2.029 0.003 . . . . . A 64 PRO HG3 . 19479 1 704 . 1 1 63 63 PRO HD2 H 1 4.054 0.003 . . . . . A 64 PRO HD2 . 19479 1 705 . 1 1 63 63 PRO HD3 H 1 3.295 0.001 . . . . . A 64 PRO HD3 . 19479 1 706 . 1 1 63 63 PRO CA C 13 62.060 0.057 . . . . . A 64 PRO CA . 19479 1 707 . 1 1 63 63 PRO CB C 13 32.346 0.004 . . . . . A 64 PRO CB . 19479 1 708 . 1 1 63 63 PRO CG C 13 27.821 0.006 . . . . . A 64 PRO CG . 19479 1 709 . 1 1 63 63 PRO CD C 13 51.152 0.006 . . . . . A 64 PRO CD . 19479 1 710 . 1 1 64 64 LEU H H 1 8.746 0.002 . . . . . A 65 LEU H . 19479 1 711 . 1 1 64 64 LEU HA H 1 3.772 0.003 . . . . . A 65 LEU HA . 19479 1 712 . 1 1 64 64 LEU HB2 H 1 1.644 0.001 . . . . . A 65 LEU HB2 . 19479 1 713 . 1 1 64 64 LEU HB3 H 1 1.410 0.001 . . . . . A 65 LEU HB3 . 19479 1 714 . 1 1 64 64 LEU HG H 1 1.702 0.002 . . . . . A 65 LEU HG . 19479 1 715 . 1 1 64 64 LEU HD11 H 1 0.940 0.000 . . . . . A 65 LEU HD11 . 19479 1 716 . 1 1 64 64 LEU HD12 H 1 0.940 0.000 . . . . . A 65 LEU HD12 . 19479 1 717 . 1 1 64 64 LEU HD13 H 1 0.940 0.000 . . . . . A 65 LEU HD13 . 19479 1 718 . 1 1 64 64 LEU HD21 H 1 0.847 0.001 . . . . . A 65 LEU HD21 . 19479 1 719 . 1 1 64 64 LEU HD22 H 1 0.847 0.001 . . . . . A 65 LEU HD22 . 19479 1 720 . 1 1 64 64 LEU HD23 H 1 0.847 0.001 . . . . . A 65 LEU HD23 . 19479 1 721 . 1 1 64 64 LEU CA C 13 58.426 0.015 . . . . . A 65 LEU CA . 19479 1 722 . 1 1 64 64 LEU CB C 13 40.688 0.014 . . . . . A 65 LEU CB . 19479 1 723 . 1 1 64 64 LEU CG C 13 27.401 0.007 . . . . . A 65 LEU CG . 19479 1 724 . 1 1 64 64 LEU CD1 C 13 24.716 0.002 . . . . . A 65 LEU CD1 . 19479 1 725 . 1 1 64 64 LEU CD2 C 13 24.005 0.006 . . . . . A 65 LEU CD2 . 19479 1 726 . 1 1 64 64 LEU N N 15 126.325 0.009 . . . . . A 65 LEU N . 19479 1 727 . 1 1 65 65 LYS H H 1 8.551 0.001 . . . . . A 66 LYS H . 19479 1 728 . 1 1 65 65 LYS HA H 1 3.999 0.002 . . . . . A 66 LYS HA . 19479 1 729 . 1 1 65 65 LYS HB2 H 1 1.831 0.000 . . . . . A 66 LYS HB2 . 19479 1 730 . 1 1 65 65 LYS HB3 H 1 1.727 0.001 . . . . . A 66 LYS HB3 . 19479 1 731 . 1 1 65 65 LYS HG2 H 1 1.384 0.000 . . . . . A 66 LYS HG2 . 19479 1 732 . 1 1 65 65 LYS HG3 H 1 1.384 0.000 . . . . . A 66 LYS HG3 . 19479 1 733 . 1 1 65 65 LYS HD2 H 1 1.655 0.002 . . . . . A 66 LYS HD2 . 19479 1 734 . 1 1 65 65 LYS HD3 H 1 1.655 0.002 . . . . . A 66 LYS HD3 . 19479 1 735 . 1 1 65 65 LYS HE2 H 1 2.936 0.001 . . . . . A 66 LYS HE2 . 19479 1 736 . 1 1 65 65 LYS HE3 H 1 2.936 0.001 . . . . . A 66 LYS HE3 . 19479 1 737 . 1 1 65 65 LYS CA C 13 59.383 0.015 . . . . . A 66 LYS CA . 19479 1 738 . 1 1 65 65 LYS CB C 13 32.166 0.012 . . . . . A 66 LYS CB . 19479 1 739 . 1 1 65 65 LYS CG C 13 24.846 0.011 . . . . . A 66 LYS CG . 19479 1 740 . 1 1 65 65 LYS CD C 13 29.461 0.002 . . . . . A 66 LYS CD . 19479 1 741 . 1 1 65 65 LYS CE C 13 41.929 0.007 . . . . . A 66 LYS CE . 19479 1 742 . 1 1 65 65 LYS N N 15 114.157 0.009 . . . . . A 66 LYS N . 19479 1 743 . 1 1 66 66 VAL H H 1 7.190 0.002 . . . . . A 67 VAL H . 19479 1 744 . 1 1 66 66 VAL HA H 1 3.611 0.003 . . . . . A 67 VAL HA . 19479 1 745 . 1 1 66 66 VAL HB H 1 1.785 0.002 . . . . . A 67 VAL HB . 19479 1 746 . 1 1 66 66 VAL HG11 H 1 0.754 0.001 . . . . . A 67 VAL HG11 . 19479 1 747 . 1 1 66 66 VAL HG12 H 1 0.754 0.001 . . . . . A 67 VAL HG12 . 19479 1 748 . 1 1 66 66 VAL HG13 H 1 0.754 0.001 . . . . . A 67 VAL HG13 . 19479 1 749 . 1 1 66 66 VAL HG21 H 1 0.103 0.002 . . . . . A 67 VAL HG21 . 19479 1 750 . 1 1 66 66 VAL HG22 H 1 0.103 0.002 . . . . . A 67 VAL HG22 . 19479 1 751 . 1 1 66 66 VAL HG23 H 1 0.103 0.002 . . . . . A 67 VAL HG23 . 19479 1 752 . 1 1 66 66 VAL CA C 13 65.655 0.012 . . . . . A 67 VAL CA . 19479 1 753 . 1 1 66 66 VAL CB C 13 31.425 0.033 . . . . . A 67 VAL CB . 19479 1 754 . 1 1 66 66 VAL CG1 C 13 22.558 0.001 . . . . . A 67 VAL CG1 . 19479 1 755 . 1 1 66 66 VAL CG2 C 13 19.541 0.002 . . . . . A 67 VAL CG2 . 19479 1 756 . 1 1 66 66 VAL N N 15 119.827 0.011 . . . . . A 67 VAL N . 19479 1 757 . 1 1 67 67 LEU H H 1 6.936 0.002 . . . . . A 68 LEU H . 19479 1 758 . 1 1 67 67 LEU HA H 1 3.922 0.001 . . . . . A 68 LEU HA . 19479 1 759 . 1 1 67 67 LEU HB2 H 1 1.470 0.000 . . . . . A 68 LEU HB2 . 19479 1 760 . 1 1 67 67 LEU HB3 H 1 1.340 0.005 . . . . . A 68 LEU HB3 . 19479 1 761 . 1 1 67 67 LEU HG H 1 1.292 0.004 . . . . . A 68 LEU HG . 19479 1 762 . 1 1 67 67 LEU HD11 H 1 0.513 0.003 . . . . . A 68 LEU HD11 . 19479 1 763 . 1 1 67 67 LEU HD12 H 1 0.513 0.003 . . . . . A 68 LEU HD12 . 19479 1 764 . 1 1 67 67 LEU HD13 H 1 0.513 0.003 . . . . . A 68 LEU HD13 . 19479 1 765 . 1 1 67 67 LEU HD21 H 1 0.241 0.001 . . . . . A 68 LEU HD21 . 19479 1 766 . 1 1 67 67 LEU HD22 H 1 0.241 0.001 . . . . . A 68 LEU HD22 . 19479 1 767 . 1 1 67 67 LEU HD23 H 1 0.241 0.001 . . . . . A 68 LEU HD23 . 19479 1 768 . 1 1 67 67 LEU CA C 13 58.322 0.019 . . . . . A 68 LEU CA . 19479 1 769 . 1 1 67 67 LEU CB C 13 41.911 0.011 . . . . . A 68 LEU CB . 19479 1 770 . 1 1 67 67 LEU CG C 13 28.239 0.015 . . . . . A 68 LEU CG . 19479 1 771 . 1 1 67 67 LEU CD1 C 13 25.325 0.008 . . . . . A 68 LEU CD1 . 19479 1 772 . 1 1 67 67 LEU CD2 C 13 24.923 0.001 . . . . . A 68 LEU CD2 . 19479 1 773 . 1 1 67 67 LEU N N 15 120.867 0.010 . . . . . A 68 LEU N . 19479 1 774 . 1 1 68 68 PHE H H 1 8.201 0.001 . . . . . A 69 PHE H . 19479 1 775 . 1 1 68 68 PHE HA H 1 4.265 0.001 . . . . . A 69 PHE HA . 19479 1 776 . 1 1 68 68 PHE HB2 H 1 3.025 0.000 . . . . . A 69 PHE HB2 . 19479 1 777 . 1 1 68 68 PHE HB3 H 1 2.972 0.000 . . . . . A 69 PHE HB3 . 19479 1 778 . 1 1 68 68 PHE HD1 H 1 7.121 0.000 . . . . . A 69 PHE HD1 . 19479 1 779 . 1 1 68 68 PHE HD2 H 1 7.121 0.000 . . . . . A 69 PHE HD2 . 19479 1 780 . 1 1 68 68 PHE HE1 H 1 7.079 0.000 . . . . . A 69 PHE HE1 . 19479 1 781 . 1 1 68 68 PHE HE2 H 1 7.079 0.000 . . . . . A 69 PHE HE2 . 19479 1 782 . 1 1 68 68 PHE HZ H 1 7.159 0.000 . . . . . A 69 PHE HZ . 19479 1 783 . 1 1 68 68 PHE CA C 13 60.265 0.013 . . . . . A 69 PHE CA . 19479 1 784 . 1 1 68 68 PHE CB C 13 38.725 0.009 . . . . . A 69 PHE CB . 19479 1 785 . 1 1 68 68 PHE CD1 C 13 131.427 0.000 . . . . . A 69 PHE CD1 . 19479 1 786 . 1 1 68 68 PHE CE1 C 13 130.970 0.000 . . . . . A 69 PHE CE1 . 19479 1 787 . 1 1 68 68 PHE CZ C 13 129.008 0.000 . . . . . A 69 PHE CZ . 19479 1 788 . 1 1 68 68 PHE N N 15 112.682 0.009 . . . . . A 69 PHE N . 19479 1 789 . 1 1 69 69 ALA H H 1 7.448 0.001 . . . . . A 70 ALA H . 19479 1 790 . 1 1 69 69 ALA HA H 1 4.302 0.004 . . . . . A 70 ALA HA . 19479 1 791 . 1 1 69 69 ALA HB1 H 1 1.561 0.002 . . . . . A 70 ALA HB1 . 19479 1 792 . 1 1 69 69 ALA HB2 H 1 1.561 0.002 . . . . . A 70 ALA HB2 . 19479 1 793 . 1 1 69 69 ALA HB3 H 1 1.561 0.002 . . . . . A 70 ALA HB3 . 19479 1 794 . 1 1 69 69 ALA CA C 13 54.025 0.062 . . . . . A 70 ALA CA . 19479 1 795 . 1 1 69 69 ALA CB C 13 19.656 0.006 . . . . . A 70 ALA CB . 19479 1 796 . 1 1 69 69 ALA N N 15 118.803 0.012 . . . . . A 70 ALA N . 19479 1 797 . 1 1 70 70 GLN H H 1 7.561 0.004 . . . . . A 71 GLN H . 19479 1 798 . 1 1 70 70 GLN HA H 1 4.848 0.007 . . . . . A 71 GLN HA . 19479 1 799 . 1 1 70 70 GLN HB2 H 1 2.058 0.001 . . . . . A 71 GLN HB2 . 19479 1 800 . 1 1 70 70 GLN HB3 H 1 1.956 0.005 . . . . . A 71 GLN HB3 . 19479 1 801 . 1 1 70 70 GLN HG2 H 1 2.279 0.007 . . . . . A 71 GLN HG2 . 19479 1 802 . 1 1 70 70 GLN HG3 H 1 2.219 0.007 . . . . . A 71 GLN HG3 . 19479 1 803 . 1 1 70 70 GLN CA C 13 53.120 0.030 . . . . . A 71 GLN CA . 19479 1 804 . 1 1 70 70 GLN CB C 13 29.026 0.003 . . . . . A 71 GLN CB . 19479 1 805 . 1 1 70 70 GLN CG C 13 33.569 0.002 . . . . . A 71 GLN CG . 19479 1 806 . 1 1 70 70 GLN N N 15 116.280 0.007 . . . . . A 71 GLN N . 19479 1 807 . 1 1 71 71 PRO HA H 1 4.989 0.002 . . . . . A 72 PRO HA . 19479 1 808 . 1 1 71 71 PRO HB2 H 1 2.669 0.004 . . . . . A 72 PRO HB2 . 19479 1 809 . 1 1 71 71 PRO HB3 H 1 2.317 0.009 . . . . . A 72 PRO HB3 . 19479 1 810 . 1 1 71 71 PRO HG2 H 1 2.285 0.003 . . . . . A 72 PRO HG2 . 19479 1 811 . 1 1 71 71 PRO HG3 H 1 1.988 0.001 . . . . . A 72 PRO HG3 . 19479 1 812 . 1 1 71 71 PRO HD2 H 1 3.584 0.003 . . . . . A 72 PRO HD2 . 19479 1 813 . 1 1 71 71 PRO HD3 H 1 3.510 0.005 . . . . . A 72 PRO HD3 . 19479 1 814 . 1 1 71 71 PRO CA C 13 64.307 0.043 . . . . . A 72 PRO CA . 19479 1 815 . 1 1 71 71 PRO CB C 13 30.240 0.009 . . . . . A 72 PRO CB . 19479 1 816 . 1 1 71 71 PRO CG C 13 27.632 0.007 . . . . . A 72 PRO CG . 19479 1 817 . 1 1 71 71 PRO CD C 13 49.323 0.003 . . . . . A 72 PRO CD . 19479 1 818 . 1 1 72 72 THR H H 1 8.303 0.003 . . . . . A 73 THR H . 19479 1 819 . 1 1 72 72 THR HA H 1 5.198 0.000 . . . . . A 73 THR HA . 19479 1 820 . 1 1 72 72 THR HB H 1 4.691 0.003 . . . . . A 73 THR HB . 19479 1 821 . 1 1 72 72 THR HG1 H 1 5.559 0.000 . . . . . A 73 THR HG1 . 19479 1 822 . 1 1 72 72 THR HG21 H 1 1.075 0.003 . . . . . A 73 THR HG21 . 19479 1 823 . 1 1 72 72 THR HG22 H 1 1.075 0.003 . . . . . A 73 THR HG22 . 19479 1 824 . 1 1 72 72 THR HG23 H 1 1.075 0.003 . . . . . A 73 THR HG23 . 19479 1 825 . 1 1 72 72 THR CA C 13 59.292 0.019 . . . . . A 73 THR CA . 19479 1 826 . 1 1 72 72 THR CB C 13 72.314 0.021 . . . . . A 73 THR CB . 19479 1 827 . 1 1 72 72 THR CG2 C 13 21.461 0.017 . . . . . A 73 THR CG2 . 19479 1 828 . 1 1 72 72 THR N N 15 109.972 0.011 . . . . . A 73 THR N . 19479 1 829 . 1 1 73 73 ILE H H 1 9.908 0.003 . . . . . A 74 ILE H . 19479 1 830 . 1 1 73 73 ILE HA H 1 3.061 0.001 . . . . . A 74 ILE HA . 19479 1 831 . 1 1 73 73 ILE HB H 1 1.154 0.001 . . . . . A 74 ILE HB . 19479 1 832 . 1 1 73 73 ILE HG12 H 1 -0.130 0.005 . . . . . A 74 ILE HG12 . 19479 1 833 . 1 1 73 73 ILE HG13 H 1 -0.788 0.001 . . . . . A 74 ILE HG13 . 19479 1 834 . 1 1 73 73 ILE HG21 H 1 0.686 0.002 . . . . . A 74 ILE HG21 . 19479 1 835 . 1 1 73 73 ILE HG22 H 1 0.686 0.002 . . . . . A 74 ILE HG22 . 19479 1 836 . 1 1 73 73 ILE HG23 H 1 0.686 0.002 . . . . . A 74 ILE HG23 . 19479 1 837 . 1 1 73 73 ILE HD11 H 1 0.007 0.003 . . . . . A 74 ILE HD11 . 19479 1 838 . 1 1 73 73 ILE HD12 H 1 0.007 0.003 . . . . . A 74 ILE HD12 . 19479 1 839 . 1 1 73 73 ILE HD13 H 1 0.007 0.003 . . . . . A 74 ILE HD13 . 19479 1 840 . 1 1 73 73 ILE CA C 13 66.019 0.017 . . . . . A 74 ILE CA . 19479 1 841 . 1 1 73 73 ILE CB C 13 37.443 0.003 . . . . . A 74 ILE CB . 19479 1 842 . 1 1 73 73 ILE CG1 C 13 28.815 0.002 . . . . . A 74 ILE CG1 . 19479 1 843 . 1 1 73 73 ILE CG2 C 13 18.572 0.017 . . . . . A 74 ILE CG2 . 19479 1 844 . 1 1 73 73 ILE CD1 C 13 13.305 0.001 . . . . . A 74 ILE CD1 . 19479 1 845 . 1 1 73 73 ILE N N 15 125.105 0.010 . . . . . A 74 ILE N . 19479 1 846 . 1 1 74 74 LYS H H 1 9.024 0.001 . . . . . A 75 LYS H . 19479 1 847 . 1 1 74 74 LYS HA H 1 3.797 0.002 . . . . . A 75 LYS HA . 19479 1 848 . 1 1 74 74 LYS HB2 H 1 1.720 0.003 . . . . . A 75 LYS HB2 . 19479 1 849 . 1 1 74 74 LYS HB3 H 1 1.531 0.005 . . . . . A 75 LYS HB3 . 19479 1 850 . 1 1 74 74 LYS HG2 H 1 1.398 0.000 . . . . . A 75 LYS HG2 . 19479 1 851 . 1 1 74 74 LYS HG3 H 1 1.214 0.002 . . . . . A 75 LYS HG3 . 19479 1 852 . 1 1 74 74 LYS HD2 H 1 1.549 0.001 . . . . . A 75 LYS HD2 . 19479 1 853 . 1 1 74 74 LYS HD3 H 1 1.482 0.003 . . . . . A 75 LYS HD3 . 19479 1 854 . 1 1 74 74 LYS HE2 H 1 2.904 0.001 . . . . . A 75 LYS HE2 . 19479 1 855 . 1 1 74 74 LYS HE3 H 1 2.904 0.001 . . . . . A 75 LYS HE3 . 19479 1 856 . 1 1 74 74 LYS CA C 13 60.205 0.006 . . . . . A 75 LYS CA . 19479 1 857 . 1 1 74 74 LYS CB C 13 33.098 0.009 . . . . . A 75 LYS CB . 19479 1 858 . 1 1 74 74 LYS CG C 13 24.794 0.003 . . . . . A 75 LYS CG . 19479 1 859 . 1 1 74 74 LYS CD C 13 29.817 0.006 . . . . . A 75 LYS CD . 19479 1 860 . 1 1 74 74 LYS CE C 13 42.213 0.006 . . . . . A 75 LYS CE . 19479 1 861 . 1 1 74 74 LYS N N 15 119.445 0.041 . . . . . A 75 LYS N . 19479 1 862 . 1 1 75 75 ALA H H 1 7.621 0.001 . . . . . A 76 ALA H . 19479 1 863 . 1 1 75 75 ALA HA H 1 4.216 0.001 . . . . . A 76 ALA HA . 19479 1 864 . 1 1 75 75 ALA HB1 H 1 1.534 0.002 . . . . . A 76 ALA HB1 . 19479 1 865 . 1 1 75 75 ALA HB2 H 1 1.534 0.002 . . . . . A 76 ALA HB2 . 19479 1 866 . 1 1 75 75 ALA HB3 H 1 1.534 0.002 . . . . . A 76 ALA HB3 . 19479 1 867 . 1 1 75 75 ALA CA C 13 54.809 0.018 . . . . . A 76 ALA CA . 19479 1 868 . 1 1 75 75 ALA CB C 13 19.422 0.012 . . . . . A 76 ALA CB . 19479 1 869 . 1 1 75 75 ALA N N 15 119.581 0.009 . . . . . A 76 ALA N . 19479 1 870 . 1 1 76 76 LEU H H 1 8.915 0.001 . . . . . A 77 LEU H . 19479 1 871 . 1 1 76 76 LEU HA H 1 4.097 0.002 . . . . . A 77 LEU HA . 19479 1 872 . 1 1 76 76 LEU HB2 H 1 1.916 0.004 . . . . . A 77 LEU HB2 . 19479 1 873 . 1 1 76 76 LEU HB3 H 1 1.485 0.002 . . . . . A 77 LEU HB3 . 19479 1 874 . 1 1 76 76 LEU HG H 1 2.106 0.000 . . . . . A 77 LEU HG . 19479 1 875 . 1 1 76 76 LEU HD11 H 1 0.992 0.001 . . . . . A 77 LEU HD11 . 19479 1 876 . 1 1 76 76 LEU HD12 H 1 0.992 0.001 . . . . . A 77 LEU HD12 . 19479 1 877 . 1 1 76 76 LEU HD13 H 1 0.992 0.001 . . . . . A 77 LEU HD13 . 19479 1 878 . 1 1 76 76 LEU HD21 H 1 0.917 0.002 . . . . . A 77 LEU HD21 . 19479 1 879 . 1 1 76 76 LEU HD22 H 1 0.917 0.002 . . . . . A 77 LEU HD22 . 19479 1 880 . 1 1 76 76 LEU HD23 H 1 0.917 0.002 . . . . . A 77 LEU HD23 . 19479 1 881 . 1 1 76 76 LEU CA C 13 57.612 0.015 . . . . . A 77 LEU CA . 19479 1 882 . 1 1 76 76 LEU CB C 13 42.192 0.012 . . . . . A 77 LEU CB . 19479 1 883 . 1 1 76 76 LEU CG C 13 26.642 0.021 . . . . . A 77 LEU CG . 19479 1 884 . 1 1 76 76 LEU CD1 C 13 25.120 0.034 . . . . . A 77 LEU CD1 . 19479 1 885 . 1 1 76 76 LEU CD2 C 13 25.004 0.000 . . . . . A 77 LEU CD2 . 19479 1 886 . 1 1 76 76 LEU N N 15 121.833 0.015 . . . . . A 77 LEU N . 19479 1 887 . 1 1 77 77 ALA H H 1 9.393 0.001 . . . . . A 78 ALA H . 19479 1 888 . 1 1 77 77 ALA HA H 1 3.751 0.002 . . . . . A 78 ALA HA . 19479 1 889 . 1 1 77 77 ALA HB1 H 1 1.421 0.002 . . . . . A 78 ALA HB1 . 19479 1 890 . 1 1 77 77 ALA HB2 H 1 1.421 0.002 . . . . . A 78 ALA HB2 . 19479 1 891 . 1 1 77 77 ALA HB3 H 1 1.421 0.002 . . . . . A 78 ALA HB3 . 19479 1 892 . 1 1 77 77 ALA CA C 13 55.117 0.041 . . . . . A 78 ALA CA . 19479 1 893 . 1 1 77 77 ALA CB C 13 19.603 0.017 . . . . . A 78 ALA CB . 19479 1 894 . 1 1 77 77 ALA N N 15 120.481 0.009 . . . . . A 78 ALA N . 19479 1 895 . 1 1 78 78 GLN H H 1 7.179 0.001 . . . . . A 79 GLN H . 19479 1 896 . 1 1 78 78 GLN HA H 1 4.069 0.001 . . . . . A 79 GLN HA . 19479 1 897 . 1 1 78 78 GLN HB2 H 1 2.186 0.001 . . . . . A 79 GLN HB2 . 19479 1 898 . 1 1 78 78 GLN HB3 H 1 2.186 0.001 . . . . . A 79 GLN HB3 . 19479 1 899 . 1 1 78 78 GLN HG2 H 1 2.532 0.002 . . . . . A 79 GLN HG2 . 19479 1 900 . 1 1 78 78 GLN HG3 H 1 2.373 0.002 . . . . . A 79 GLN HG3 . 19479 1 901 . 1 1 78 78 GLN CA C 13 58.790 0.024 . . . . . A 79 GLN CA . 19479 1 902 . 1 1 78 78 GLN CB C 13 28.256 0.012 . . . . . A 79 GLN CB . 19479 1 903 . 1 1 78 78 GLN CG C 13 33.757 0.004 . . . . . A 79 GLN CG . 19479 1 904 . 1 1 78 78 GLN N N 15 117.799 0.008 . . . . . A 79 GLN N . 19479 1 905 . 1 1 79 79 TYR H H 1 7.716 0.001 . . . . . A 80 TYR H . 19479 1 906 . 1 1 79 79 TYR HA H 1 3.982 0.003 . . . . . A 80 TYR HA . 19479 1 907 . 1 1 79 79 TYR HB2 H 1 3.310 0.000 . . . . . A 80 TYR HB2 . 19479 1 908 . 1 1 79 79 TYR HB3 H 1 3.077 0.000 . . . . . A 80 TYR HB3 . 19479 1 909 . 1 1 79 79 TYR HD1 H 1 6.903 0.000 . . . . . A 80 TYR HD1 . 19479 1 910 . 1 1 79 79 TYR HD2 H 1 6.903 0.000 . . . . . A 80 TYR HD2 . 19479 1 911 . 1 1 79 79 TYR HE1 H 1 6.762 0.000 . . . . . A 80 TYR HE1 . 19479 1 912 . 1 1 79 79 TYR HE2 H 1 6.762 0.000 . . . . . A 80 TYR HE2 . 19479 1 913 . 1 1 79 79 TYR CA C 13 61.965 0.012 . . . . . A 80 TYR CA . 19479 1 914 . 1 1 79 79 TYR CB C 13 38.227 0.018 . . . . . A 80 TYR CB . 19479 1 915 . 1 1 79 79 TYR CD1 C 13 133.042 0.000 . . . . . A 80 TYR CD1 . 19479 1 916 . 1 1 79 79 TYR CE1 C 13 118.047 0.000 . . . . . A 80 TYR CE1 . 19479 1 917 . 1 1 79 79 TYR N N 15 121.754 0.008 . . . . . A 80 TYR N . 19479 1 918 . 1 1 80 80 VAL H H 1 8.536 0.001 . . . . . A 81 VAL H . 19479 1 919 . 1 1 80 80 VAL HA H 1 3.264 0.001 . . . . . A 81 VAL HA . 19479 1 920 . 1 1 80 80 VAL HB H 1 1.816 0.004 . . . . . A 81 VAL HB . 19479 1 921 . 1 1 80 80 VAL HG11 H 1 0.917 0.004 . . . . . A 81 VAL HG11 . 19479 1 922 . 1 1 80 80 VAL HG12 H 1 0.917 0.004 . . . . . A 81 VAL HG12 . 19479 1 923 . 1 1 80 80 VAL HG13 H 1 0.917 0.004 . . . . . A 81 VAL HG13 . 19479 1 924 . 1 1 80 80 VAL HG21 H 1 0.217 0.001 . . . . . A 81 VAL HG21 . 19479 1 925 . 1 1 80 80 VAL HG22 H 1 0.217 0.001 . . . . . A 81 VAL HG22 . 19479 1 926 . 1 1 80 80 VAL HG23 H 1 0.217 0.001 . . . . . A 81 VAL HG23 . 19479 1 927 . 1 1 80 80 VAL CA C 13 66.719 0.012 . . . . . A 81 VAL CA . 19479 1 928 . 1 1 80 80 VAL CB C 13 32.032 0.022 . . . . . A 81 VAL CB . 19479 1 929 . 1 1 80 80 VAL CG1 C 13 23.305 0.002 . . . . . A 81 VAL CG1 . 19479 1 930 . 1 1 80 80 VAL CG2 C 13 20.561 0.003 . . . . . A 81 VAL CG2 . 19479 1 931 . 1 1 80 80 VAL N N 15 117.864 0.005 . . . . . A 81 VAL N . 19479 1 932 . 1 1 81 81 ALA H H 1 8.420 0.001 . . . . . A 82 ALA H . 19479 1 933 . 1 1 81 81 ALA HA H 1 3.931 0.000 . . . . . A 82 ALA HA . 19479 1 934 . 1 1 81 81 ALA HB1 H 1 1.441 0.000 . . . . . A 82 ALA HB1 . 19479 1 935 . 1 1 81 81 ALA HB2 H 1 1.441 0.000 . . . . . A 82 ALA HB2 . 19479 1 936 . 1 1 81 81 ALA HB3 H 1 1.441 0.000 . . . . . A 82 ALA HB3 . 19479 1 937 . 1 1 81 81 ALA CA C 13 55.130 0.014 . . . . . A 82 ALA CA . 19479 1 938 . 1 1 81 81 ALA CB C 13 18.588 0.003 . . . . . A 82 ALA CB . 19479 1 939 . 1 1 81 81 ALA N N 15 121.044 0.005 . . . . . A 82 ALA N . 19479 1 940 . 1 1 82 82 THR H H 1 7.558 0.001 . . . . . A 83 THR H . 19479 1 941 . 1 1 82 82 THR HA H 1 4.081 0.003 . . . . . A 83 THR HA . 19479 1 942 . 1 1 82 82 THR HB H 1 4.188 0.003 . . . . . A 83 THR HB . 19479 1 943 . 1 1 82 82 THR HG21 H 1 1.232 0.003 . . . . . A 83 THR HG21 . 19479 1 944 . 1 1 82 82 THR HG22 H 1 1.232 0.003 . . . . . A 83 THR HG22 . 19479 1 945 . 1 1 82 82 THR HG23 H 1 1.232 0.003 . . . . . A 83 THR HG23 . 19479 1 946 . 1 1 82 82 THR CA C 13 64.388 0.016 . . . . . A 83 THR CA . 19479 1 947 . 1 1 82 82 THR CB C 13 69.529 0.044 . . . . . A 83 THR CB . 19479 1 948 . 1 1 82 82 THR CG2 C 13 21.620 0.012 . . . . . A 83 THR CG2 . 19479 1 949 . 1 1 82 82 THR N N 15 109.020 0.008 . . . . . A 83 THR N . 19479 1 950 . 1 1 83 83 ARG H H 1 7.368 0.002 . . . . . A 84 ARG H . 19479 1 951 . 1 1 83 83 ARG HA H 1 4.199 0.002 . . . . . A 84 ARG HA . 19479 1 952 . 1 1 83 83 ARG HB2 H 1 1.926 0.004 . . . . . A 84 ARG HB2 . 19479 1 953 . 1 1 83 83 ARG HB3 H 1 1.407 0.002 . . . . . A 84 ARG HB3 . 19479 1 954 . 1 1 83 83 ARG HG2 H 1 1.369 0.001 . . . . . A 84 ARG HG2 . 19479 1 955 . 1 1 83 83 ARG HG3 H 1 1.369 0.001 . . . . . A 84 ARG HG3 . 19479 1 956 . 1 1 83 83 ARG HD2 H 1 2.857 0.003 . . . . . A 84 ARG HD2 . 19479 1 957 . 1 1 83 83 ARG HD3 H 1 2.567 0.002 . . . . . A 84 ARG HD3 . 19479 1 958 . 1 1 83 83 ARG CA C 13 56.279 0.007 . . . . . A 84 ARG CA . 19479 1 959 . 1 1 83 83 ARG CB C 13 30.866 0.010 . . . . . A 84 ARG CB . 19479 1 960 . 1 1 83 83 ARG CG C 13 27.020 0.003 . . . . . A 84 ARG CG . 19479 1 961 . 1 1 83 83 ARG CD C 13 42.350 0.003 . . . . . A 84 ARG CD . 19479 1 962 . 1 1 83 83 ARG N N 15 119.856 0.011 . . . . . A 84 ARG N . 19479 1 963 . 1 1 84 84 SER H H 1 7.783 0.003 . . . . . A 85 SER H . 19479 1 964 . 1 1 84 84 SER HA H 1 4.301 0.001 . . . . . A 85 SER HA . 19479 1 965 . 1 1 84 84 SER HB2 H 1 3.907 0.004 . . . . . A 85 SER HB2 . 19479 1 966 . 1 1 84 84 SER HB3 H 1 3.761 0.002 . . . . . A 85 SER HB3 . 19479 1 967 . 1 1 84 84 SER CA C 13 58.927 0.010 . . . . . A 85 SER CA . 19479 1 968 . 1 1 84 84 SER CB C 13 63.778 0.011 . . . . . A 85 SER CB . 19479 1 969 . 1 1 84 84 SER N N 15 114.607 0.006 . . . . . A 85 SER N . 19479 1 970 . 1 1 85 85 HIS HA H 1 4.608 0.000 . . . . . A 86 HIS HA . 19479 1 971 . 1 1 85 85 HIS HB2 H 1 3.130 0.000 . . . . . A 86 HIS HB2 . 19479 1 972 . 1 1 85 85 HIS HB3 H 1 3.080 0.000 . . . . . A 86 HIS HB3 . 19479 1 973 . 1 1 85 85 HIS CA C 13 56.102 0.058 . . . . . A 86 HIS CA . 19479 1 974 . 1 1 85 85 HIS CB C 13 30.233 0.000 . . . . . A 86 HIS CB . 19479 1 975 . 1 1 86 86 HIS H H 1 8.102 0.001 . . . . . A 87 HIS H . 19479 1 976 . 1 1 86 86 HIS HA H 1 4.421 0.000 . . . . . A 87 HIS HA . 19479 1 977 . 1 1 86 86 HIS HB2 H 1 3.189 0.000 . . . . . A 87 HIS HB2 . 19479 1 978 . 1 1 86 86 HIS HB3 H 1 3.055 0.000 . . . . . A 87 HIS HB3 . 19479 1 979 . 1 1 86 86 HIS CA C 13 57.381 0.004 . . . . . A 87 HIS CA . 19479 1 980 . 1 1 86 86 HIS CB C 13 30.430 0.023 . . . . . A 87 HIS CB . 19479 1 981 . 1 1 86 86 HIS N N 15 125.453 0.007 . . . . . A 87 HIS N . 19479 1 stop_ save_