data_15659 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15659 _Entry.Title ; The actinorhodin apo acyl carrier protein from S. coelicolor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-15 _Entry.Accession_date 2008-02-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'This is an ensemble of 20 NMR structures, ARIA 1.2 restraint files (ambiguous and non-ambiguous NOEs, TALOS restraints and J-coupling restraints. Chemical shift data has also been deposited for 1H, 15N and 13C.' _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 Matthew Crump . P. . 15659 2 Simon Evans . E. . 15659 3 Williams Christopher . . . 15659 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' . 15659 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Scottish Structural Proteomics Facility' . 15659 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Actinorhodin . 15659 'Acyl carrier Protein' . 15659 Antibiotic . 15659 Polyketide . 15659 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15659 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 15659 '15N chemical shifts' 92 15659 '1H chemical shifts' 577 15659 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 . . 2008-11-25 2008-02-15 update BMRB 'complete entry citation' 15659 1 . . 2008-09-11 2008-02-15 original author 'original release' 15659 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15658 act_holo-acp 15659 PDB 1AF8 'The new entry has refined and improved coordinates' 15659 PDB 2AF8 'The new entry has refined and improved coordinates' 15659 PDB 2K0Y 'BMRB Entry Tracking System' 15659 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15659 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18770515 _Citation.Full_citation . _Citation.Title 'An ACP Structural Switch: Conformational Differences between the Apo and Holo Forms of the Actinorhodin Polyketide Synthase Acyl Carrier Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev ChemBioChem _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 15 _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 2424 _Citation.Page_last 2432 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simon Evans . E. . 15659 1 2 Christopher Williams . . . 15659 1 3 Christopher Arthur . J. . 15659 1 4 Steven Burston . G. . 15659 1 5 Thomas Simpson . J. . 15659 1 6 John Crosby . . . 15659 1 7 Matthew Crump . P. . 15659 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ACP 15659 1 Actinorhodin 15659 1 apo 15659 1 NMR 15659 1 Polyketide 15659 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15659 _Assembly.ID 1 _Assembly.Name 'actinorhodin apo acyl 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 entity 1 $act_ACP A . yes native no no . . . 15659 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_act_ACP _Entity.Sf_category entity _Entity.Sf_framecode act_ACP _Entity.Entry_ID 15659 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name act_ACP _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 ; MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This sequence contains a C17S mutation to prevent dimerisation of the ACP under NMR conditions.' _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C17S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9239.254 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15658 . act_holo-acp . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 2 no BMRB 16196 . "acetyl Actinorhodin Acyl Carrier" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 3 no BMRB 16197 . "malonyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 4 no BMRB 16199 . butyryl-ACP . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 5 no BMRB 16200 . "hexanoyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 6 no BMRB 16201 . "octanoyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 7 no BMRB 16202 . 3-oxo-butyl-ACP . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 8 no BMRB 16203 . "3,5-dioxohexyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 9 no BMRB 25284 . entity . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 10 no BMRB 25287 . entity . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 11 no PDB 1AF8 . "Actinorhodin Polyketide Synthase Acyl Carrier Protein From Streptomyces Coelicolor A3(2), Nmr, 24 Structures" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 12 no PDB 2AF8 . "Actinorhodin Polyketide Synthase Acyl Carrier Protein From Streptomyces Coelicolor A3(2), Nmr, Minimized Average Structure" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 13 no PDB 2K0X . "The Actinorhodin Holo Acyl Carrier Protein From S. Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 14 no PDB 2K0Y . "The Actinorhodin Apo Acyl Carrier Protein From S. Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 15 no PDB 2KG6 . "Solution Structure Of The Acetyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 16 no PDB 2KG8 . "Nmr Solution Structures Of Malonyl Acp From The Actinorhodin Polyketide Synthase In Streptomyces Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 17 no PDB 2KG9 . "Nmr Solution Structures Of Butyryl-Acp (A Non-Polar, Non Pathway Intermediate) From The Actinorhodin Polyketide Synthase In Str" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 18 no PDB 2KGA . "Nmr Solution Structures Of Hexanoyl Acp (A Non Natural Intermediate) From The Actinorhodin Polyketide Synthase In Streptomyces " . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 19 no PDB 2KGC . "Nmr Solution Structures Of Octanoyl Acp (A Non-Natural Intermediate) From The Actinorhodin Polyketide Synthase In Streptomyces " . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 20 no PDB 2KGD . "Nmr Solution Structures Of 3-Oxo-Butyl-Acp, An Intermediate Mimic From The Actinorhodin Polyketide Synthase In Streptomyces Coe" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 21 no PDB 2KGE . "Nmr Solution Structures Of 3,5-Dioxohexyl Acp (A Triketide Mimic) From The Actinorhodin Polyketide Synthase In Streptomyces Coe" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 22 no PDB 2MVU . "Solution Structure Of The 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 23 no PDB 2MVV . "Solution Structure Of The 5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein From Streptomyces Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 15659 1 24 no EMBL CAA45045 . "Acyl carrier protein [Streptomyces coelicolor A3(2)]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 25 no EMBL CAC44202 . "actinorhodin polyketide synthase acyl carrier protein [Streptomyces coelicolor A3(2)]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 26 no GB AIJ13577 . "actinorhodin polyketide synthase ACP [Streptomyces lividans TK24]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 27 no GB EFD66960 . "acyl carrier protein [Streptomyces lividans TK24]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 28 no GB EOY50075 . "Acyl carrier protein [Streptomyces lividans 1326]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 29 no GB KKD13304 . "actinorhodin polyketide synthase acyl carrier protein [Streptomyces sp. WM6391]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 30 no REF NP_629239 . "actinorhodin polyketide synthase ACP [Streptomyces coelicolor A3(2)]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 31 no REF WP_003973889 . "MULTISPECIES: actinorhodin polyketide synthase [Streptomyces]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 32 no SP Q02054 . "RecName: Full=Actinorhodin polyketide synthase acyl carrier protein; Short=ACP; AltName: Full=actI ORF3" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 15659 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Involved in polyketide biosynthesis' 15659 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15659 1 2 . ALA . 15659 1 3 . THR . 15659 1 4 . LEU . 15659 1 5 . LEU . 15659 1 6 . THR . 15659 1 7 . THR . 15659 1 8 . ASP . 15659 1 9 . ASP . 15659 1 10 . LEU . 15659 1 11 . ARG . 15659 1 12 . ARG . 15659 1 13 . ALA . 15659 1 14 . LEU . 15659 1 15 . VAL . 15659 1 16 . GLU . 15659 1 17 . SER . 15659 1 18 . ALA . 15659 1 19 . GLY . 15659 1 20 . GLU . 15659 1 21 . THR . 15659 1 22 . ASP . 15659 1 23 . GLY . 15659 1 24 . THR . 15659 1 25 . ASP . 15659 1 26 . LEU . 15659 1 27 . SER . 15659 1 28 . GLY . 15659 1 29 . ASP . 15659 1 30 . PHE . 15659 1 31 . LEU . 15659 1 32 . ASP . 15659 1 33 . LEU . 15659 1 34 . ARG . 15659 1 35 . PHE . 15659 1 36 . GLU . 15659 1 37 . ASP . 15659 1 38 . ILE . 15659 1 39 . GLY . 15659 1 40 . TYR . 15659 1 41 . ASP . 15659 1 42 . SER . 15659 1 43 . LEU . 15659 1 44 . ALA . 15659 1 45 . LEU . 15659 1 46 . MET . 15659 1 47 . GLU . 15659 1 48 . THR . 15659 1 49 . ALA . 15659 1 50 . ALA . 15659 1 51 . ARG . 15659 1 52 . LEU . 15659 1 53 . GLU . 15659 1 54 . SER . 15659 1 55 . ARG . 15659 1 56 . TYR . 15659 1 57 . GLY . 15659 1 58 . VAL . 15659 1 59 . SER . 15659 1 60 . ILE . 15659 1 61 . PRO . 15659 1 62 . ASP . 15659 1 63 . ASP . 15659 1 64 . VAL . 15659 1 65 . ALA . 15659 1 66 . GLY . 15659 1 67 . ARG . 15659 1 68 . VAL . 15659 1 69 . ASP . 15659 1 70 . THR . 15659 1 71 . PRO . 15659 1 72 . ARG . 15659 1 73 . GLU . 15659 1 74 . LEU . 15659 1 75 . LEU . 15659 1 76 . ASP . 15659 1 77 . LEU . 15659 1 78 . ILE . 15659 1 79 . ASN . 15659 1 80 . GLY . 15659 1 81 . ALA . 15659 1 82 . LEU . 15659 1 83 . ALA . 15659 1 84 . GLU . 15659 1 85 . ALA . 15659 1 86 . ALA . 15659 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15659 1 . ALA 2 2 15659 1 . THR 3 3 15659 1 . LEU 4 4 15659 1 . LEU 5 5 15659 1 . THR 6 6 15659 1 . THR 7 7 15659 1 . ASP 8 8 15659 1 . ASP 9 9 15659 1 . LEU 10 10 15659 1 . ARG 11 11 15659 1 . ARG 12 12 15659 1 . ALA 13 13 15659 1 . LEU 14 14 15659 1 . VAL 15 15 15659 1 . GLU 16 16 15659 1 . SER 17 17 15659 1 . ALA 18 18 15659 1 . GLY 19 19 15659 1 . GLU 20 20 15659 1 . THR 21 21 15659 1 . ASP 22 22 15659 1 . GLY 23 23 15659 1 . THR 24 24 15659 1 . ASP 25 25 15659 1 . LEU 26 26 15659 1 . SER 27 27 15659 1 . GLY 28 28 15659 1 . ASP 29 29 15659 1 . PHE 30 30 15659 1 . LEU 31 31 15659 1 . ASP 32 32 15659 1 . LEU 33 33 15659 1 . ARG 34 34 15659 1 . PHE 35 35 15659 1 . GLU 36 36 15659 1 . ASP 37 37 15659 1 . ILE 38 38 15659 1 . GLY 39 39 15659 1 . TYR 40 40 15659 1 . ASP 41 41 15659 1 . SER 42 42 15659 1 . LEU 43 43 15659 1 . ALA 44 44 15659 1 . LEU 45 45 15659 1 . MET 46 46 15659 1 . GLU 47 47 15659 1 . THR 48 48 15659 1 . ALA 49 49 15659 1 . ALA 50 50 15659 1 . ARG 51 51 15659 1 . LEU 52 52 15659 1 . GLU 53 53 15659 1 . SER 54 54 15659 1 . ARG 55 55 15659 1 . TYR 56 56 15659 1 . GLY 57 57 15659 1 . VAL 58 58 15659 1 . SER 59 59 15659 1 . ILE 60 60 15659 1 . PRO 61 61 15659 1 . ASP 62 62 15659 1 . ASP 63 63 15659 1 . VAL 64 64 15659 1 . ALA 65 65 15659 1 . GLY 66 66 15659 1 . ARG 67 67 15659 1 . VAL 68 68 15659 1 . ASP 69 69 15659 1 . THR 70 70 15659 1 . PRO 71 71 15659 1 . ARG 72 72 15659 1 . GLU 73 73 15659 1 . LEU 74 74 15659 1 . LEU 75 75 15659 1 . ASP 76 76 15659 1 . LEU 77 77 15659 1 . ILE 78 78 15659 1 . ASN 79 79 15659 1 . GLY 80 80 15659 1 . ALA 81 81 15659 1 . LEU 82 82 15659 1 . ALA 83 83 15659 1 . GLU 84 84 15659 1 . ALA 85 85 15659 1 . ALA 86 86 15659 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 15659 _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 $act_ACP . 1902 organism . 'Streptomyces coelicolor' . . . Bacteria . Streptomyces coelicolor . . . . . . . . . . . . . . . . . . . . . 15659 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 15659 _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 $act_ACP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET11c . . . ; Actinorhodin acyl carrier protein (act ACP) from S. coelicolor was heterologously overexpressed in its apo form in E. coli BL21 (DE3) cells. These cells contained the plasmid pET11c C17S act ACP (courtesy of Dr. Tom Nicholson). This IPTG inducible vector is both easier to use and more reliable than the heat inducible pT7-7 version originally constructed. ; . . 15659 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_labelled_Sample _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_labelled_Sample _Sample.Entry_ID 15659 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Samples were 1mM NaN3, 5%/95% D2O/H2O in 600μL potassium phosphate buffer (20mM, pH 5.5) and 1-2mM derivatised ACP' _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 'act ACP' '[U-98% 13C; U-98% 15N]' . . 1 $act_ACP . . 1-2 . . mM 0.1 . . . 15659 1 2 D2O . . . . . . . 5 . . % . . . . 15659 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15659 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 15659 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 15659 1 stop_ save_ ####################### # Sample conditions # ####################### save_ACP_standard_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ACP_standard_conditions _Sample_condition_list.Entry_ID 15659 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'In phosphate buffer, pH 5.5 we have observed the ACP is stable for >1-2 months.' 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 5.5 0.2 pH 15659 1 pressure 1 . atm 15659 1 temperature 298 0.5 K 15659 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15659 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details 'ARIA 1.2 was used to explicitly take advantage of spin diffusion corrections not available in v2.0' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15659 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15659 1 'Linge, O'Donoghue and Nilges' . . 15659 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15659 1 processing 15659 1 'structure solution' 15659 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15659 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'A four channel INOVA (circa 2003).' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15659 _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 BRNL600 Varian INOVA . 600 'A four channel INOVA (circa 2003).' . . 15659 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 15659 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE data (ambiguous and unambiguous as determined by ARIA) combined with J-coupling and TALOS dihedral restraints' 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 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 3 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 6 '3D HNHA' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15N_labelled_Sample isotropic . . 1 $ACP_standard_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15659 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 15659 _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 water protons . . . . ppm 4.78 internal indirect 0.251449530 . . . . . . . . . 15659 1 H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . . . . . 15659 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.101329118 . . . . . . . . . 15659 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_act_apo_ACP_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode act_apo_ACP_shifts _Assigned_chem_shift_list.Entry_ID 15659 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ACP_standard_conditions _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' . . . 15659 1 2 '3D CBCA(CO)NH' . . . 15659 1 3 '3D HNCO' . . . 15659 1 4 '3D HNCACB' . . . 15659 1 5 '3D HCCH-TOCSY' . . . 15659 1 6 '3D HNHA' . . . 15659 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA . . 15659 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.297 0 . 1 . . . . 2 ALA HA . 15659 1 2 . 1 1 2 2 ALA HB1 H 1 1.658 0 . 1 . . . . 2 ALA HB1 . 15659 1 3 . 1 1 2 2 ALA HB2 H 1 1.658 0 . 1 . . . . 2 ALA HB2 . 15659 1 4 . 1 1 2 2 ALA HB3 H 1 1.658 0 . 1 . . . . 2 ALA HB3 . 15659 1 5 . 1 1 2 2 ALA C C 13 173.708 0 . 1 . . . . 2 ALA C . 15659 1 6 . 1 1 2 2 ALA CA C 13 51.945 0 . 1 . . . . 2 ALA CA . 15659 1 7 . 1 1 2 2 ALA CB C 13 19.979 0 . 1 . . . . 2 ALA CB . 15659 1 8 . 1 1 3 3 THR H H 1 8.680 0 . 1 . . . . 3 THR HN . 15659 1 9 . 1 1 3 3 THR HA H 1 4.411 0 . 1 . . . . 3 THR HA . 15659 1 10 . 1 1 3 3 THR HB H 1 4.203 0 . 1 . . . . 3 THR HB . 15659 1 11 . 1 1 3 3 THR HG21 H 1 1.392 0 . 1 . . . . 3 THR HG21 . 15659 1 12 . 1 1 3 3 THR HG22 H 1 1.392 0 . 1 . . . . 3 THR HG22 . 15659 1 13 . 1 1 3 3 THR HG23 H 1 1.392 0 . 1 . . . . 3 THR HG23 . 15659 1 14 . 1 1 3 3 THR C C 13 172.914 0 . 1 . . . . 3 THR C . 15659 1 15 . 1 1 3 3 THR CA C 13 62.665 0 . 1 . . . . 3 THR CA . 15659 1 16 . 1 1 3 3 THR CB C 13 69.902 0 . 1 . . . . 3 THR CB . 15659 1 17 . 1 1 3 3 THR CG2 C 13 22.044 0 . 1 . . . . 3 THR CG2 . 15659 1 18 . 1 1 3 3 THR N N 15 117.458 0 . 1 . . . . 3 THR N . 15659 1 19 . 1 1 4 4 LEU H H 1 8.145 0 . 1 . . . . 4 LEU HN . 15659 1 20 . 1 1 4 4 LEU HA H 1 4.384 0 . 1 . . . . 4 LEU HA . 15659 1 21 . 1 1 4 4 LEU HB2 H 1 1.616 0 . 2 . . . . 4 LEU HB1 . 15659 1 22 . 1 1 4 4 LEU HB3 H 1 1.500 0 . 2 . . . . 4 LEU HB2 . 15659 1 23 . 1 1 4 4 LEU HD11 H 1 0.896 0 . 2 . . . . 4 LEU HD11 . 15659 1 24 . 1 1 4 4 LEU HD12 H 1 0.896 0 . 2 . . . . 4 LEU HD12 . 15659 1 25 . 1 1 4 4 LEU HD13 H 1 0.896 0 . 2 . . . . 4 LEU HD13 . 15659 1 26 . 1 1 4 4 LEU HD21 H 1 0.967 0 . 2 . . . . 4 LEU HD21 . 15659 1 27 . 1 1 4 4 LEU HD22 H 1 0.967 0 . 2 . . . . 4 LEU HD22 . 15659 1 28 . 1 1 4 4 LEU HD23 H 1 0.967 0 . 2 . . . . 4 LEU HD23 . 15659 1 29 . 1 1 4 4 LEU HG H 1 1.718 0 . 1 . . . . 4 LEU HG . 15659 1 30 . 1 1 4 4 LEU C C 13 177.176 0 . 1 . . . . 4 LEU C . 15659 1 31 . 1 1 4 4 LEU CA C 13 54.765 0 . 1 . . . . 4 LEU CA . 15659 1 32 . 1 1 4 4 LEU CB C 13 42.790 0 . 1 . . . . 4 LEU CB . 15659 1 33 . 1 1 4 4 LEU CD1 C 13 23.620 0 . 2 . . . . 4 LEU CD1 . 15659 1 34 . 1 1 4 4 LEU CD2 C 13 25.194 0 . 2 . . . . 4 LEU CD2 . 15659 1 35 . 1 1 4 4 LEU CG C 13 27.342 0 . 1 . . . . 4 LEU CG . 15659 1 36 . 1 1 4 4 LEU N N 15 124.380 0 . 1 . . . . 4 LEU N . 15659 1 37 . 1 1 5 5 LEU H H 1 9.419 0 . 1 . . . . 5 LEU HN . 15659 1 38 . 1 1 5 5 LEU HA H 1 4.536 0 . 1 . . . . 5 LEU HA . 15659 1 39 . 1 1 5 5 LEU HB2 H 1 1.611 0 . 2 . . . . 5 LEU HB1 . 15659 1 40 . 1 1 5 5 LEU HB3 H 1 1.336 0 . 2 . . . . 5 LEU HB2 . 15659 1 41 . 1 1 5 5 LEU HD11 H 1 0.643 0 . 2 . . . . 5 LEU HD11 . 15659 1 42 . 1 1 5 5 LEU HD12 H 1 0.643 0 . 2 . . . . 5 LEU HD12 . 15659 1 43 . 1 1 5 5 LEU HD13 H 1 0.643 0 . 2 . . . . 5 LEU HD13 . 15659 1 44 . 1 1 5 5 LEU HD21 H 1 0.681 0 . 2 . . . . 5 LEU HD21 . 15659 1 45 . 1 1 5 5 LEU HD22 H 1 0.681 0 . 2 . . . . 5 LEU HD22 . 15659 1 46 . 1 1 5 5 LEU HD23 H 1 0.681 0 . 2 . . . . 5 LEU HD23 . 15659 1 47 . 1 1 5 5 LEU HG H 1 1.583 0 . 1 . . . . 5 LEU HG . 15659 1 48 . 1 1 5 5 LEU C C 13 177.849 0 . 1 . . . . 5 LEU C . 15659 1 49 . 1 1 5 5 LEU CA C 13 55.488 0 . 1 . . . . 5 LEU CA . 15659 1 50 . 1 1 5 5 LEU CB C 13 42.700 0 . 1 . . . . 5 LEU CB . 15659 1 51 . 1 1 5 5 LEU CD1 C 13 25.823 0 . 2 . . . . 5 LEU CD1 . 15659 1 52 . 1 1 5 5 LEU CD2 C 13 25.602 0 . 2 . . . . 5 LEU CD2 . 15659 1 53 . 1 1 5 5 LEU CG C 13 27.666 0 . 1 . . . . 5 LEU CG . 15659 1 54 . 1 1 5 5 LEU N N 15 124.415 0 . 1 . . . . 5 LEU N . 15659 1 55 . 1 1 6 6 THR H H 1 8.995 0 . 1 . . . . 6 THR HN . 15659 1 56 . 1 1 6 6 THR HA H 1 4.783 0 . 1 . . . . 6 THR HA . 15659 1 57 . 1 1 6 6 THR HB H 1 4.869 0 . 1 . . . . 6 THR HB . 15659 1 58 . 1 1 6 6 THR HG21 H 1 1.430 0 . 1 . . . . 6 THR HG21 . 15659 1 59 . 1 1 6 6 THR HG22 H 1 1.430 0 . 1 . . . . 6 THR HG22 . 15659 1 60 . 1 1 6 6 THR HG23 H 1 1.430 0 . 1 . . . . 6 THR HG23 . 15659 1 61 . 1 1 6 6 THR C C 13 175.943 0 . 1 . . . . 6 THR C . 15659 1 62 . 1 1 6 6 THR CA C 13 59.961 0 . 1 . . . . 6 THR CA . 15659 1 63 . 1 1 6 6 THR CB C 13 72.429 0 . 1 . . . . 6 THR CB . 15659 1 64 . 1 1 6 6 THR CG2 C 13 21.711 0 . 1 . . . . 6 THR CG2 . 15659 1 65 . 1 1 6 6 THR N N 15 114.757 0 . 1 . . . . 6 THR N . 15659 1 66 . 1 1 7 7 THR H H 1 8.851 0 . 1 . . . . 7 THR HN . 15659 1 67 . 1 1 7 7 THR HA H 1 3.881 0 . 1 . . . . 7 THR HA . 15659 1 68 . 1 1 7 7 THR HB H 1 4.338 0 . 1 . . . . 7 THR HB . 15659 1 69 . 1 1 7 7 THR HG21 H 1 1.404 0 . 1 . . . . 7 THR HG21 . 15659 1 70 . 1 1 7 7 THR HG22 H 1 1.404 0 . 1 . . . . 7 THR HG22 . 15659 1 71 . 1 1 7 7 THR HG23 H 1 1.404 0 . 1 . . . . 7 THR HG23 . 15659 1 72 . 1 1 7 7 THR C C 13 176.566 0 . 1 . . . . 7 THR C . 15659 1 73 . 1 1 7 7 THR CA C 13 67.277 0 . 1 . . . . 7 THR CA . 15659 1 74 . 1 1 7 7 THR CB C 13 68.542 0 . 1 . . . . 7 THR CB . 15659 1 75 . 1 1 7 7 THR CG2 C 13 23.499 0 . 1 . . . . 7 THR CG2 . 15659 1 76 . 1 1 7 7 THR N N 15 115.540 0 . 1 . . . . 7 THR N . 15659 1 77 . 1 1 8 8 ASP H H 1 8.279 0 . 1 . . . . 8 ASP HN . 15659 1 78 . 1 1 8 8 ASP HA H 1 4.638 0 . 1 . . . . 8 ASP HA . 15659 1 79 . 1 1 8 8 ASP HB2 H 1 2.729 0 . 2 . . . . 8 ASP HB1 . 15659 1 80 . 1 1 8 8 ASP HB3 H 1 2.729 0 . 2 . . . . 8 ASP HB2 . 15659 1 81 . 1 1 8 8 ASP C C 13 178.553 0 . 1 . . . . 8 ASP C . 15659 1 82 . 1 1 8 8 ASP CA C 13 57.738 0 . 1 . . . . 8 ASP CA . 15659 1 83 . 1 1 8 8 ASP CB C 13 41.219 0 . 1 . . . . 8 ASP CB . 15659 1 84 . 1 1 8 8 ASP N N 15 119.967 0 . 1 . . . . 8 ASP N . 15659 1 85 . 1 1 9 9 ASP H H 1 7.905 0 . 1 . . . . 9 ASP HN . 15659 1 86 . 1 1 9 9 ASP HA H 1 4.573 0 . 1 . . . . 9 ASP HA . 15659 1 87 . 1 1 9 9 ASP HB2 H 1 3.050 0 . 2 . . . . 9 ASP HB1 . 15659 1 88 . 1 1 9 9 ASP HB3 H 1 2.718 0 . 2 . . . . 9 ASP HB2 . 15659 1 89 . 1 1 9 9 ASP C C 13 179.411 0 . 1 . . . . 9 ASP C . 15659 1 90 . 1 1 9 9 ASP CA C 13 57.667 0 . 1 . . . . 9 ASP CA . 15659 1 91 . 1 1 9 9 ASP CB C 13 41.453 0 . 1 . . . . 9 ASP CB . 15659 1 92 . 1 1 9 9 ASP N N 15 120.222 0 . 1 . . . . 9 ASP N . 15659 1 93 . 1 1 10 10 LEU H H 1 8.097 0 . 1 . . . . 10 LEU HN . 15659 1 94 . 1 1 10 10 LEU HA H 1 4.225 0 . 1 . . . . 10 LEU HA . 15659 1 95 . 1 1 10 10 LEU HB2 H 1 2.354 0 . 2 . . . . 10 LEU HB1 . 15659 1 96 . 1 1 10 10 LEU HB3 H 1 1.577 0 . 2 . . . . 10 LEU HB2 . 15659 1 97 . 1 1 10 10 LEU HD11 H 1 1.057 0 . 2 . . . . 10 LEU HD11 . 15659 1 98 . 1 1 10 10 LEU HD12 H 1 1.057 0 . 2 . . . . 10 LEU HD12 . 15659 1 99 . 1 1 10 10 LEU HD13 H 1 1.057 0 . 2 . . . . 10 LEU HD13 . 15659 1 100 . 1 1 10 10 LEU HD21 H 1 1.139 0 . 2 . . . . 10 LEU HD21 . 15659 1 101 . 1 1 10 10 LEU HD22 H 1 1.139 0 . 2 . . . . 10 LEU HD22 . 15659 1 102 . 1 1 10 10 LEU HD23 H 1 1.139 0 . 2 . . . . 10 LEU HD23 . 15659 1 103 . 1 1 10 10 LEU HG H 1 1.905 0 . 1 . . . . 10 LEU HG . 15659 1 104 . 1 1 10 10 LEU C C 13 177.475 0 . 1 . . . . 10 LEU C . 15659 1 105 . 1 1 10 10 LEU CA C 13 57.959 0 . 1 . . . . 10 LEU CA . 15659 1 106 . 1 1 10 10 LEU CB C 13 42.013 0 . 1 . . . . 10 LEU CB . 15659 1 107 . 1 1 10 10 LEU CD1 C 13 23.593 0 . 2 . . . . 10 LEU CD1 . 15659 1 108 . 1 1 10 10 LEU CD2 C 13 28.016 0 . 2 . . . . 10 LEU CD2 . 15659 1 109 . 1 1 10 10 LEU CG C 13 27.523 0 . 1 . . . . 10 LEU CG . 15659 1 110 . 1 1 10 10 LEU N N 15 121.315 0 . 1 . . . . 10 LEU N . 15659 1 111 . 1 1 11 11 ARG H H 1 8.841 0 . 1 . . . . 11 ARG HN . 15659 1 112 . 1 1 11 11 ARG HA H 1 3.524 0 . 1 . . . . 11 ARG HA . 15659 1 113 . 1 1 11 11 ARG HB2 H 1 2.056 0 . 2 . . . . 11 ARG HB1 . 15659 1 114 . 1 1 11 11 ARG HB3 H 1 2.056 0 . 2 . . . . 11 ARG HB2 . 15659 1 115 . 1 1 11 11 ARG HD2 H 1 3.242 0 . 2 . . . . 11 ARG HD1 . 15659 1 116 . 1 1 11 11 ARG HD3 H 1 3.185 0 . 2 . . . . 11 ARG HD2 . 15659 1 117 . 1 1 11 11 ARG HE H 1 7.312 0 . 1 . . . . 11 ARG HE . 15659 1 118 . 1 1 11 11 ARG HG2 H 1 1.406 0 . 2 . . . . 11 ARG HG1 . 15659 1 119 . 1 1 11 11 ARG HG3 H 1 1.149 0 . 2 . . . . 11 ARG HG2 . 15659 1 120 . 1 1 11 11 ARG C C 13 177.728 0 . 1 . . . . 11 ARG C . 15659 1 121 . 1 1 11 11 ARG CA C 13 60.662 0 . 1 . . . . 11 ARG CA . 15659 1 122 . 1 1 11 11 ARG CB C 13 30.618 0 . 1 . . . . 11 ARG CB . 15659 1 123 . 1 1 11 11 ARG CD C 13 43.562 0 . 1 . . . . 11 ARG CD . 15659 1 124 . 1 1 11 11 ARG CG C 13 27.508 0 . 1 . . . . 11 ARG CG . 15659 1 125 . 1 1 11 11 ARG CZ C 13 159.523 0 . 1 . . . . 11 ARG CZ . 15659 1 126 . 1 1 11 11 ARG N N 15 119.774 0 . 1 . . . . 11 ARG N . 15659 1 127 . 1 1 11 11 ARG NE N 15 83.602 0 . 1 . . . . 11 ARG NE . 15659 1 128 . 1 1 12 12 ARG H H 1 7.988 0 . 1 . . . . 12 ARG HN . 15659 1 129 . 1 1 12 12 ARG HA H 1 4.041 0 . 1 . . . . 12 ARG HA . 15659 1 130 . 1 1 12 12 ARG HB2 H 1 2.040 0 . 2 . . . . 12 ARG HB1 . 15659 1 131 . 1 1 12 12 ARG HB3 H 1 2.040 0 . 2 . . . . 12 ARG HB2 . 15659 1 132 . 1 1 12 12 ARG HD2 H 1 3.381 0 . 2 . . . . 12 ARG HD1 . 15659 1 133 . 1 1 12 12 ARG HD3 H 1 3.325 0 . 2 . . . . 12 ARG HD2 . 15659 1 134 . 1 1 12 12 ARG HE H 1 7.523 0 . 1 . . . . 12 ARG HE . 15659 1 135 . 1 1 12 12 ARG HG2 H 1 1.936 0 . 2 . . . . 12 ARG HG1 . 15659 1 136 . 1 1 12 12 ARG HG3 H 1 1.705 0 . 2 . . . . 12 ARG HG2 . 15659 1 137 . 1 1 12 12 ARG C C 13 178.452 0 . 1 . . . . 12 ARG C . 15659 1 138 . 1 1 12 12 ARG CA C 13 59.748 0 . 1 . . . . 12 ARG CA . 15659 1 139 . 1 1 12 12 ARG CB C 13 30.414 0 . 1 . . . . 12 ARG CB . 15659 1 140 . 1 1 12 12 ARG CD C 13 43.614 0 . 1 . . . . 12 ARG CD . 15659 1 141 . 1 1 12 12 ARG CG C 13 28.281 0 . 1 . . . . 12 ARG CG . 15659 1 142 . 1 1 12 12 ARG CZ C 13 159.648 0 . 1 . . . . 12 ARG CZ . 15659 1 143 . 1 1 12 12 ARG N N 15 115.529 0 . 1 . . . . 12 ARG N . 15659 1 144 . 1 1 12 12 ARG NE N 15 85.054 0 . 1 . . . . 12 ARG NE . 15659 1 145 . 1 1 13 13 ALA H H 1 7.722 0 . 1 . . . . 13 ALA HN . 15659 1 146 . 1 1 13 13 ALA HA H 1 4.412 0 . 1 . . . . 13 ALA HA . 15659 1 147 . 1 1 13 13 ALA HB1 H 1 1.681 0 . 1 . . . . 13 ALA HB1 . 15659 1 148 . 1 1 13 13 ALA HB2 H 1 1.681 0 . 1 . . . . 13 ALA HB2 . 15659 1 149 . 1 1 13 13 ALA HB3 H 1 1.681 0 . 1 . . . . 13 ALA HB3 . 15659 1 150 . 1 1 13 13 ALA C C 13 180.069 0 . 1 . . . . 13 ALA C . 15659 1 151 . 1 1 13 13 ALA CA C 13 54.990 0 . 1 . . . . 13 ALA CA . 15659 1 152 . 1 1 13 13 ALA CB C 13 18.654 0 . 1 . . . . 13 ALA CB . 15659 1 153 . 1 1 13 13 ALA N N 15 119.900 0 . 1 . . . . 13 ALA N . 15659 1 154 . 1 1 14 14 LEU H H 1 8.419 0 . 1 . . . . 14 LEU HN . 15659 1 155 . 1 1 14 14 LEU HA H 1 4.418 0 . 1 . . . . 14 LEU HA . 15659 1 156 . 1 1 14 14 LEU HB2 H 1 2.005 0 . 2 . . . . 14 LEU HB1 . 15659 1 157 . 1 1 14 14 LEU HB3 H 1 1.431 0 . 2 . . . . 14 LEU HB2 . 15659 1 158 . 1 1 14 14 LEU HD11 H 1 0.777 0 . 2 . . . . 14 LEU HD11 . 15659 1 159 . 1 1 14 14 LEU HD12 H 1 0.777 0 . 2 . . . . 14 LEU HD12 . 15659 1 160 . 1 1 14 14 LEU HD13 H 1 0.777 0 . 2 . . . . 14 LEU HD13 . 15659 1 161 . 1 1 14 14 LEU HD21 H 1 0.917 0 . 2 . . . . 14 LEU HD21 . 15659 1 162 . 1 1 14 14 LEU HD22 H 1 0.917 0 . 2 . . . . 14 LEU HD22 . 15659 1 163 . 1 1 14 14 LEU HD23 H 1 0.917 0 . 2 . . . . 14 LEU HD23 . 15659 1 164 . 1 1 14 14 LEU HG H 1 1.892 0 . 1 . . . . 14 LEU HG . 15659 1 165 . 1 1 14 14 LEU C C 13 180.574 0 . 1 . . . . 14 LEU C . 15659 1 166 . 1 1 14 14 LEU CA C 13 57.488 0 . 1 . . . . 14 LEU CA . 15659 1 167 . 1 1 14 14 LEU CB C 13 42.008 0 . 1 . . . . 14 LEU CB . 15659 1 168 . 1 1 14 14 LEU CD1 C 13 23.307 0 . 2 . . . . 14 LEU CD1 . 15659 1 169 . 1 1 14 14 LEU CD2 C 13 26.750 0 . 2 . . . . 14 LEU CD2 . 15659 1 170 . 1 1 14 14 LEU CG C 13 27.145 0 . 1 . . . . 14 LEU CG . 15659 1 171 . 1 1 14 14 LEU N N 15 119.013 0 . 1 . . . . 14 LEU N . 15659 1 172 . 1 1 15 15 VAL H H 1 8.501 0 . 1 . . . . 15 VAL HN . 15659 1 173 . 1 1 15 15 VAL HA H 1 3.929 0 . 1 . . . . 15 VAL HA . 15659 1 174 . 1 1 15 15 VAL HB H 1 2.284 0 . 1 . . . . 15 VAL HB . 15659 1 175 . 1 1 15 15 VAL HG11 H 1 1.053 0 . 2 . . . . 15 VAL HG11 . 15659 1 176 . 1 1 15 15 VAL HG12 H 1 1.053 0 . 2 . . . . 15 VAL HG12 . 15659 1 177 . 1 1 15 15 VAL HG13 H 1 1.053 0 . 2 . . . . 15 VAL HG13 . 15659 1 178 . 1 1 15 15 VAL HG21 H 1 1.129 0 . 2 . . . . 15 VAL HG21 . 15659 1 179 . 1 1 15 15 VAL HG22 H 1 1.129 0 . 2 . . . . 15 VAL HG22 . 15659 1 180 . 1 1 15 15 VAL HG23 H 1 1.129 0 . 2 . . . . 15 VAL HG23 . 15659 1 181 . 1 1 15 15 VAL C C 13 178.956 0 . 1 . . . . 15 VAL C . 15659 1 182 . 1 1 15 15 VAL CA C 13 66.056 0 . 1 . . . . 15 VAL CA . 15659 1 183 . 1 1 15 15 VAL CB C 13 32.053 0 . 1 . . . . 15 VAL CB . 15659 1 184 . 1 1 15 15 VAL CG1 C 13 21.435 0 . 2 . . . . 15 VAL CG1 . 15659 1 185 . 1 1 15 15 VAL CG2 C 13 22.733 0 . 2 . . . . 15 VAL CG2 . 15659 1 186 . 1 1 15 15 VAL N N 15 120.534 0 . 1 . . . . 15 VAL N . 15659 1 187 . 1 1 16 16 GLU H H 1 8.238 0 . 1 . . . . 16 GLU HN . 15659 1 188 . 1 1 16 16 GLU HA H 1 4.216 0 . 1 . . . . 16 GLU HA . 15659 1 189 . 1 1 16 16 GLU HB2 H 1 2.274 0 . 2 . . . . 16 GLU HB1 . 15659 1 190 . 1 1 16 16 GLU HB3 H 1 2.154 0 . 2 . . . . 16 GLU HB2 . 15659 1 191 . 1 1 16 16 GLU HG2 H 1 2.635 0 . 2 . . . . 16 GLU HG1 . 15659 1 192 . 1 1 16 16 GLU HG3 H 1 2.410 0 . 2 . . . . 16 GLU HG2 . 15659 1 193 . 1 1 16 16 GLU C C 13 178.530 0 . 1 . . . . 16 GLU C . 15659 1 194 . 1 1 16 16 GLU CA C 13 58.963 0 . 1 . . . . 16 GLU CA . 15659 1 195 . 1 1 16 16 GLU CB C 13 29.866 0 . 1 . . . . 16 GLU CB . 15659 1 196 . 1 1 16 16 GLU CG C 13 36.748 0 . 1 . . . . 16 GLU CG . 15659 1 197 . 1 1 16 16 GLU N N 15 119.771 0 . 1 . . . . 16 GLU N . 15659 1 198 . 1 1 17 17 SER H H 1 7.808 0 . 1 . . . . 17 SER HN . 15659 1 199 . 1 1 17 17 SER HA H 1 4.581 0 . 1 . . . . 17 SER HA . 15659 1 200 . 1 1 17 17 SER HB2 H 1 4.151 0 . 2 . . . . 17 SER HB1 . 15659 1 201 . 1 1 17 17 SER HB3 H 1 4.072 0 . 2 . . . . 17 SER HB2 . 15659 1 202 . 1 1 17 17 SER C C 13 174.239 0 . 1 . . . . 17 SER C . 15659 1 203 . 1 1 17 17 SER CA C 13 59.839 0 . 1 . . . . 17 SER CA . 15659 1 204 . 1 1 17 17 SER CB C 13 64.127 0 . 1 . . . . 17 SER CB . 15659 1 205 . 1 1 17 17 SER N N 15 113.608 0 . 1 . . . . 17 SER N . 15659 1 206 . 1 1 18 18 ALA H H 1 7.809 0 . 1 . . . . 18 ALA HN . 15659 1 207 . 1 1 18 18 ALA HA H 1 4.358 0 . 1 . . . . 18 ALA HA . 15659 1 208 . 1 1 18 18 ALA HB1 H 1 1.553 0 . 1 . . . . 18 ALA HB1 . 15659 1 209 . 1 1 18 18 ALA HB2 H 1 1.553 0 . 1 . . . . 18 ALA HB2 . 15659 1 210 . 1 1 18 18 ALA HB3 H 1 1.553 0 . 1 . . . . 18 ALA HB3 . 15659 1 211 . 1 1 18 18 ALA C C 13 178.239 0 . 1 . . . . 18 ALA C . 15659 1 212 . 1 1 18 18 ALA CA C 13 52.975 0 . 1 . . . . 18 ALA CA . 15659 1 213 . 1 1 18 18 ALA CB C 13 19.808 0 . 1 . . . . 18 ALA CB . 15659 1 214 . 1 1 18 18 ALA N N 15 123.180 0 . 1 . . . . 18 ALA N . 15659 1 215 . 1 1 19 19 GLY H H 1 8.241 0 . 1 . . . . 19 GLY HN . 15659 1 216 . 1 1 19 19 GLY HA2 H 1 4.060 0 . 2 . . . . 19 GLY HA1 . 15659 1 217 . 1 1 19 19 GLY HA3 H 1 4.060 0 . 2 . . . . 19 GLY HA2 . 15659 1 218 . 1 1 19 19 GLY C C 13 174.390 0 . 1 . . . . 19 GLY C . 15659 1 219 . 1 1 19 19 GLY CA C 13 45.570 0 . 1 . . . . 19 GLY CA . 15659 1 220 . 1 1 19 19 GLY N N 15 107.414 0 . 1 . . . . 19 GLY N . 15659 1 221 . 1 1 20 20 GLU H H 1 8.501 0 . 1 . . . . 20 GLU HN . 15659 1 222 . 1 1 20 20 GLU HA H 1 4.481 0 . 1 . . . . 20 GLU HA . 15659 1 223 . 1 1 20 20 GLU HB2 H 1 2.241 0 . 2 . . . . 20 GLU HB1 . 15659 1 224 . 1 1 20 20 GLU HB3 H 1 2.078 0 . 2 . . . . 20 GLU HB2 . 15659 1 225 . 1 1 20 20 GLU HG2 H 1 2.412 0 . 2 . . . . 20 GLU HG1 . 15659 1 226 . 1 1 20 20 GLU HG3 H 1 2.411 0 . 2 . . . . 20 GLU HG2 . 15659 1 227 . 1 1 20 20 GLU C C 13 176.860 0 . 1 . . . . 20 GLU C . 15659 1 228 . 1 1 20 20 GLU CA C 13 56.810 0 . 1 . . . . 20 GLU CA . 15659 1 229 . 1 1 20 20 GLU CB C 13 30.060 0 . 1 . . . . 20 GLU CB . 15659 1 230 . 1 1 20 20 GLU CG C 13 35.894 0 . 1 . . . . 20 GLU CG . 15659 1 231 . 1 1 20 20 GLU N N 15 120.517 0 . 1 . . . . 20 GLU N . 15659 1 232 . 1 1 21 21 THR H H 1 8.251 0 . 1 . . . . 21 THR HN . 15659 1 233 . 1 1 21 21 THR HA H 1 4.526 0 . 1 . . . . 21 THR HA . 15659 1 234 . 1 1 21 21 THR HB H 1 4.387 0 . 1 . . . . 21 THR HB . 15659 1 235 . 1 1 21 21 THR HG21 H 1 1.257 0 . 1 . . . . 21 THR HG21 . 15659 1 236 . 1 1 21 21 THR HG22 H 1 1.257 0 . 1 . . . . 21 THR HG22 . 15659 1 237 . 1 1 21 21 THR HG23 H 1 1.257 0 . 1 . . . . 21 THR HG23 . 15659 1 238 . 1 1 21 21 THR C C 13 174.520 0 . 1 . . . . 21 THR C . 15659 1 239 . 1 1 21 21 THR CA C 13 61.836 0 . 1 . . . . 21 THR CA . 15659 1 240 . 1 1 21 21 THR CB C 13 70.007 0 . 1 . . . . 21 THR CB . 15659 1 241 . 1 1 21 21 THR CG2 C 13 21.618 0 . 1 . . . . 21 THR CG2 . 15659 1 242 . 1 1 21 21 THR N N 15 113.989 0 . 1 . . . . 21 THR N . 15659 1 243 . 1 1 22 22 ASP H H 1 8.497 0 . 1 . . . . 22 ASP HN . 15659 1 244 . 1 1 22 22 ASP HA H 1 4.737 0 . 1 . . . . 22 ASP HA . 15659 1 245 . 1 1 22 22 ASP HB2 H 1 2.842 0 . 2 . . . . 22 ASP HB1 . 15659 1 246 . 1 1 22 22 ASP HB3 H 1 2.841 0 . 2 . . . . 22 ASP HB2 . 15659 1 247 . 1 1 22 22 ASP C C 13 176.877 0 . 1 . . . . 22 ASP C . 15659 1 248 . 1 1 22 22 ASP CA C 13 54.739 0 . 1 . . . . 22 ASP CA . 15659 1 249 . 1 1 22 22 ASP CB C 13 41.047 0 . 1 . . . . 22 ASP CB . 15659 1 250 . 1 1 22 22 ASP N N 15 122.136 0 . 1 . . . . 22 ASP N . 15659 1 251 . 1 1 23 23 GLY H H 1 8.499 0 . 1 . . . . 23 GLY HN . 15659 1 252 . 1 1 23 23 GLY HA2 H 1 4.087 0 . 2 . . . . 23 GLY HA1 . 15659 1 253 . 1 1 23 23 GLY HA3 H 1 4.087 0 . 2 . . . . 23 GLY HA2 . 15659 1 254 . 1 1 23 23 GLY C C 13 174.775 0 . 1 . . . . 23 GLY C . 15659 1 255 . 1 1 23 23 GLY CA C 13 45.815 0 . 1 . . . . 23 GLY CA . 15659 1 256 . 1 1 23 23 GLY N N 15 109.353 0 . 1 . . . . 23 GLY N . 15659 1 257 . 1 1 24 24 THR H H 1 8.151 0 . 1 . . . . 24 THR HN . 15659 1 258 . 1 1 24 24 THR HA H 1 4.345 0 . 1 . . . . 24 THR HA . 15659 1 259 . 1 1 24 24 THR HB H 1 4.239 0 . 1 . . . . 24 THR HB . 15659 1 260 . 1 1 24 24 THR HG21 H 1 1.296 0 . 1 . . . . 24 THR HG21 . 15659 1 261 . 1 1 24 24 THR HG22 H 1 1.296 0 . 1 . . . . 24 THR HG22 . 15659 1 262 . 1 1 24 24 THR HG23 H 1 1.296 0 . 1 . . . . 24 THR HG23 . 15659 1 263 . 1 1 24 24 THR C C 13 174.220 0 . 1 . . . . 24 THR C . 15659 1 264 . 1 1 24 24 THR CA C 13 63.084 0 . 1 . . . . 24 THR CA . 15659 1 265 . 1 1 24 24 THR CB C 13 69.889 0 . 1 . . . . 24 THR CB . 15659 1 266 . 1 1 24 24 THR CG2 C 13 21.723 0 . 1 . . . . 24 THR CG2 . 15659 1 267 . 1 1 24 24 THR N N 15 115.906 0 . 1 . . . . 24 THR N . 15659 1 268 . 1 1 25 25 ASP H H 1 8.617 0 . 1 . . . . 25 ASP HN . 15659 1 269 . 1 1 25 25 ASP HA H 1 4.726 0 . 1 . . . . 25 ASP HA . 15659 1 270 . 1 1 25 25 ASP HB2 H 1 2.893 0 . 2 . . . . 25 ASP HB1 . 15659 1 271 . 1 1 25 25 ASP HB3 H 1 2.769 0 . 2 . . . . 25 ASP HB2 . 15659 1 272 . 1 1 25 25 ASP C C 13 176.172 0 . 1 . . . . 25 ASP C . 15659 1 273 . 1 1 25 25 ASP CA C 13 54.459 0 . 1 . . . . 25 ASP CA . 15659 1 274 . 1 1 25 25 ASP CB C 13 41.038 0 . 1 . . . . 25 ASP CB . 15659 1 275 . 1 1 25 25 ASP N N 15 123.841 0 . 1 . . . . 25 ASP N . 15659 1 276 . 1 1 26 26 LEU H H 1 8.468 0 . 1 . . . . 26 LEU HN . 15659 1 277 . 1 1 26 26 LEU HA H 1 4.375 0 . 1 . . . . 26 LEU HA . 15659 1 278 . 1 1 26 26 LEU HB2 H 1 1.452 0 . 2 . . . . 26 LEU HB1 . 15659 1 279 . 1 1 26 26 LEU HB3 H 1 1.230 0 . 2 . . . . 26 LEU HB2 . 15659 1 280 . 1 1 26 26 LEU HD11 H 1 0.710 0 . 2 . . . . 26 LEU HD11 . 15659 1 281 . 1 1 26 26 LEU HD12 H 1 0.710 0 . 2 . . . . 26 LEU HD12 . 15659 1 282 . 1 1 26 26 LEU HD13 H 1 0.710 0 . 2 . . . . 26 LEU HD13 . 15659 1 283 . 1 1 26 26 LEU HD21 H 1 0.813 0 . 2 . . . . 26 LEU HD21 . 15659 1 284 . 1 1 26 26 LEU HD22 H 1 0.813 0 . 2 . . . . 26 LEU HD22 . 15659 1 285 . 1 1 26 26 LEU HD23 H 1 0.813 0 . 2 . . . . 26 LEU HD23 . 15659 1 286 . 1 1 26 26 LEU HG H 1 1.589 0 . 1 . . . . 26 LEU HG . 15659 1 287 . 1 1 26 26 LEU C C 13 176.307 0 . 1 . . . . 26 LEU C . 15659 1 288 . 1 1 26 26 LEU CA C 13 54.128 0 . 1 . . . . 26 LEU CA . 15659 1 289 . 1 1 26 26 LEU CB C 13 41.100 0 . 1 . . . . 26 LEU CB . 15659 1 290 . 1 1 26 26 LEU CD1 C 13 23.334 0 . 2 . . . . 26 LEU CD1 . 15659 1 291 . 1 1 26 26 LEU CD2 C 13 26.383 0 . 2 . . . . 26 LEU CD2 . 15659 1 292 . 1 1 26 26 LEU CG C 13 26.790 0 . 1 . . . . 26 LEU CG . 15659 1 293 . 1 1 26 26 LEU N N 15 123.615 0 . 1 . . . . 26 LEU N . 15659 1 294 . 1 1 27 27 SER H H 1 8.207 0 . 1 . . . . 27 SER HN . 15659 1 295 . 1 1 27 27 SER HA H 1 4.303 0 . 1 . . . . 27 SER HA . 15659 1 296 . 1 1 27 27 SER HB2 H 1 4.034 0 . 2 . . . . 27 SER HB1 . 15659 1 297 . 1 1 27 27 SER HB3 H 1 3.994 0 . 2 . . . . 27 SER HB2 . 15659 1 298 . 1 1 27 27 SER C C 13 175.019 0 . 1 . . . . 27 SER C . 15659 1 299 . 1 1 27 27 SER CA C 13 59.818 0 . 1 . . . . 27 SER CA . 15659 1 300 . 1 1 27 27 SER CB C 13 64.198 0 . 1 . . . . 27 SER CB . 15659 1 301 . 1 1 27 27 SER N N 15 115.102 0 . 1 . . . . 27 SER N . 15659 1 302 . 1 1 28 28 GLY H H 1 8.581 0 . 1 . . . . 28 GLY HN . 15659 1 303 . 1 1 28 28 GLY HA2 H 1 4.244 0 . 2 . . . . 28 GLY HA1 . 15659 1 304 . 1 1 28 28 GLY HA3 H 1 3.890 0 . 2 . . . . 28 GLY HA2 . 15659 1 305 . 1 1 28 28 GLY C C 13 174.264 0 . 1 . . . . 28 GLY C . 15659 1 306 . 1 1 28 28 GLY CA C 13 45.393 0 . 1 . . . . 28 GLY CA . 15659 1 307 . 1 1 28 28 GLY N N 15 111.287 0 . 1 . . . . 28 GLY N . 15659 1 308 . 1 1 29 29 ASP H H 1 8.680 0 . 1 . . . . 29 ASP HN . 15659 1 309 . 1 1 29 29 ASP HA H 1 4.859 0 . 1 . . . . 29 ASP HA . 15659 1 310 . 1 1 29 29 ASP HB2 H 1 2.904 0 . 2 . . . . 29 ASP HB1 . 15659 1 311 . 1 1 29 29 ASP HB3 H 1 2.687 0 . 2 . . . . 29 ASP HB2 . 15659 1 312 . 1 1 29 29 ASP C C 13 176.461 0 . 1 . . . . 29 ASP C . 15659 1 313 . 1 1 29 29 ASP CA C 13 54.284 0 . 1 . . . . 29 ASP CA . 15659 1 314 . 1 1 29 29 ASP CB C 13 39.716 0 . 1 . . . . 29 ASP CB . 15659 1 315 . 1 1 29 29 ASP N N 15 123.263 0 . 1 . . . . 29 ASP N . 15659 1 316 . 1 1 30 30 PHE H H 1 8.064 0 . 1 . . . . 30 PHE HN . 15659 1 317 . 1 1 30 30 PHE HA H 1 4.766 0 . 1 . . . . 30 PHE HA . 15659 1 318 . 1 1 30 30 PHE HB2 H 1 3.301 0 . 2 . . . . 30 PHE HB1 . 15659 1 319 . 1 1 30 30 PHE HB3 H 1 3.015 0 . 2 . . . . 30 PHE HB2 . 15659 1 320 . 1 1 30 30 PHE HD1 H 1 7.322 0 . 3 . . . . 30 PHE HD1 . 15659 1 321 . 1 1 30 30 PHE HD2 H 1 7.322 0 . 3 . . . . 30 PHE HD2 . 15659 1 322 . 1 1 30 30 PHE HE1 H 1 7.221 0 . 3 . . . . 30 PHE HE1 . 15659 1 323 . 1 1 30 30 PHE HE2 H 1 7.220 0 . 3 . . . . 30 PHE HE2 . 15659 1 324 . 1 1 30 30 PHE HZ H 1 7.360 0 . 1 . . . . 30 PHE HZ . 15659 1 325 . 1 1 30 30 PHE C C 13 175.486 0 . 1 . . . . 30 PHE C . 15659 1 326 . 1 1 30 30 PHE CA C 13 57.460 0 . 1 . . . . 30 PHE CA . 15659 1 327 . 1 1 30 30 PHE CB C 13 40.521 0 . 1 . . . . 30 PHE CB . 15659 1 328 . 1 1 30 30 PHE CD1 C 13 132.295 0 . 3 . . . . 30 PHE CD1 . 15659 1 329 . 1 1 30 30 PHE CD2 C 13 132.295 0 . 3 . . . . 30 PHE CD2 . 15659 1 330 . 1 1 30 30 PHE CE1 C 13 130.407 0 . 3 . . . . 30 PHE CE1 . 15659 1 331 . 1 1 30 30 PHE CE2 C 13 130.407 0 . 3 . . . . 30 PHE CE2 . 15659 1 332 . 1 1 30 30 PHE CZ C 13 128.759 0 . 1 . . . . 30 PHE CZ . 15659 1 333 . 1 1 30 30 PHE N N 15 122.340 0 . 1 . . . . 30 PHE N . 15659 1 334 . 1 1 31 31 LEU H H 1 7.535 0 . 1 . . . . 31 LEU HN . 15659 1 335 . 1 1 31 31 LEU HA H 1 3.309 0 . 1 . . . . 31 LEU HA . 15659 1 336 . 1 1 31 31 LEU HB2 H 1 1.649 0 . 2 . . . . 31 LEU HB1 . 15659 1 337 . 1 1 31 31 LEU HB3 H 1 1.030 0 . 2 . . . . 31 LEU HB2 . 15659 1 338 . 1 1 31 31 LEU HD11 H 1 0.459 0 . 2 . . . . 31 LEU HD11 . 15659 1 339 . 1 1 31 31 LEU HD12 H 1 0.459 0 . 2 . . . . 31 LEU HD12 . 15659 1 340 . 1 1 31 31 LEU HD13 H 1 0.459 0 . 2 . . . . 31 LEU HD13 . 15659 1 341 . 1 1 31 31 LEU HD21 H 1 0.791 0 . 2 . . . . 31 LEU HD21 . 15659 1 342 . 1 1 31 31 LEU HD22 H 1 0.791 0 . 2 . . . . 31 LEU HD22 . 15659 1 343 . 1 1 31 31 LEU HD23 H 1 0.791 0 . 2 . . . . 31 LEU HD23 . 15659 1 344 . 1 1 31 31 LEU HG H 1 1.209 0 . 1 . . . . 31 LEU HG . 15659 1 345 . 1 1 31 31 LEU C C 13 176.442 0 . 1 . . . . 31 LEU C . 15659 1 346 . 1 1 31 31 LEU CA C 13 57.841 0 . 1 . . . . 31 LEU CA . 15659 1 347 . 1 1 31 31 LEU CB C 13 42.121 0 . 1 . . . . 31 LEU CB . 15659 1 348 . 1 1 31 31 LEU CD1 C 13 23.931 0 . 2 . . . . 31 LEU CD1 . 15659 1 349 . 1 1 31 31 LEU CD2 C 13 25.324 0 . 2 . . . . 31 LEU CD2 . 15659 1 350 . 1 1 31 31 LEU CG C 13 26.978 0 . 1 . . . . 31 LEU CG . 15659 1 351 . 1 1 31 31 LEU N N 15 118.974 0 . 1 . . . . 31 LEU N . 15659 1 352 . 1 1 32 32 ASP H H 1 8.081 0 . 1 . . . . 32 ASP HN . 15659 1 353 . 1 1 32 32 ASP HA H 1 5.057 0 . 1 . . . . 32 ASP HA . 15659 1 354 . 1 1 32 32 ASP HB2 H 1 3.043 0 . 2 . . . . 32 ASP HB1 . 15659 1 355 . 1 1 32 32 ASP HB3 H 1 2.370 0 . 2 . . . . 32 ASP HB2 . 15659 1 356 . 1 1 32 32 ASP C C 13 176.035 0 . 1 . . . . 32 ASP C . 15659 1 357 . 1 1 32 32 ASP CA C 13 53.745 0 . 1 . . . . 32 ASP CA . 15659 1 358 . 1 1 32 32 ASP CB C 13 41.757 0 . 1 . . . . 32 ASP CB . 15659 1 359 . 1 1 32 32 ASP N N 15 111.858 0 . 1 . . . . 32 ASP N . 15659 1 360 . 1 1 33 33 LEU H H 1 7.223 0 . 1 . . . . 33 LEU HN . 15659 1 361 . 1 1 33 33 LEU HA H 1 4.315 0 . 1 . . . . 33 LEU HA . 15659 1 362 . 1 1 33 33 LEU HB2 H 1 1.787 0 . 2 . . . . 33 LEU HB1 . 15659 1 363 . 1 1 33 33 LEU HB3 H 1 1.415 0 . 2 . . . . 33 LEU HB2 . 15659 1 364 . 1 1 33 33 LEU HD11 H 1 0.967 0 . 2 . . . . 33 LEU HD11 . 15659 1 365 . 1 1 33 33 LEU HD12 H 1 0.967 0 . 2 . . . . 33 LEU HD12 . 15659 1 366 . 1 1 33 33 LEU HD13 H 1 0.967 0 . 2 . . . . 33 LEU HD13 . 15659 1 367 . 1 1 33 33 LEU HD21 H 1 1.082 0 . 2 . . . . 33 LEU HD21 . 15659 1 368 . 1 1 33 33 LEU HD22 H 1 1.082 0 . 2 . . . . 33 LEU HD22 . 15659 1 369 . 1 1 33 33 LEU HD23 H 1 1.082 0 . 2 . . . . 33 LEU HD23 . 15659 1 370 . 1 1 33 33 LEU HG H 1 1.794 0 . 1 . . . . 33 LEU HG . 15659 1 371 . 1 1 33 33 LEU C C 13 174.834 0 . 1 . . . . 33 LEU C . 15659 1 372 . 1 1 33 33 LEU CA C 13 54.484 0 . 1 . . . . 33 LEU CA . 15659 1 373 . 1 1 33 33 LEU CB C 13 42.469 0 . 1 . . . . 33 LEU CB . 15659 1 374 . 1 1 33 33 LEU CD1 C 13 22.403 0 . 2 . . . . 33 LEU CD1 . 15659 1 375 . 1 1 33 33 LEU CD2 C 13 26.148 0 . 2 . . . . 33 LEU CD2 . 15659 1 376 . 1 1 33 33 LEU CG C 13 27.090 0 . 1 . . . . 33 LEU CG . 15659 1 377 . 1 1 33 33 LEU N N 15 122.072 0 . 1 . . . . 33 LEU N . 15659 1 378 . 1 1 34 34 ARG H H 1 8.486 0 . 1 . . . . 34 ARG HN . 15659 1 379 . 1 1 34 34 ARG HA H 1 4.746 0 . 1 . . . . 34 ARG HA . 15659 1 380 . 1 1 34 34 ARG HB2 H 1 2.174 0 . 2 . . . . 34 ARG HB1 . 15659 1 381 . 1 1 34 34 ARG HB3 H 1 1.874 0 . 2 . . . . 34 ARG HB2 . 15659 1 382 . 1 1 34 34 ARG HD2 H 1 3.459 0 . 2 . . . . 34 ARG HD1 . 15659 1 383 . 1 1 34 34 ARG HD3 H 1 3.358 0 . 2 . . . . 34 ARG HD2 . 15659 1 384 . 1 1 34 34 ARG HE H 1 8.052 0 . 1 . . . . 34 ARG HE . 15659 1 385 . 1 1 34 34 ARG HG2 H 1 1.950 0 . 2 . . . . 34 ARG HG1 . 15659 1 386 . 1 1 34 34 ARG HG3 H 1 1.627 0 . 2 . . . . 34 ARG HG2 . 15659 1 387 . 1 1 34 34 ARG C C 13 179.695 0 . 1 . . . . 34 ARG C . 15659 1 388 . 1 1 34 34 ARG CA C 13 55.460 0 . 1 . . . . 34 ARG CA . 15659 1 389 . 1 1 34 34 ARG CB C 13 29.981 0 . 1 . . . . 34 ARG CB . 15659 1 390 . 1 1 34 34 ARG CD C 13 43.520 0 . 1 . . . . 34 ARG CD . 15659 1 391 . 1 1 34 34 ARG CG C 13 28.421 0 . 1 . . . . 34 ARG CG . 15659 1 392 . 1 1 34 34 ARG CZ C 13 159.963 0 . 1 . . . . 34 ARG CZ . 15659 1 393 . 1 1 34 34 ARG N N 15 116.268 0 . 1 . . . . 34 ARG N . 15659 1 394 . 1 1 34 34 ARG NE N 15 85.180 0 . 1 . . . . 34 ARG NE . 15659 1 395 . 1 1 35 35 PHE H H 1 8.453 0 . 1 . . . . 35 PHE HN . 15659 1 396 . 1 1 35 35 PHE HA H 1 4.398 0 . 1 . . . . 35 PHE HA . 15659 1 397 . 1 1 35 35 PHE HB2 H 1 3.623 0 . 2 . . . . 35 PHE HB1 . 15659 1 398 . 1 1 35 35 PHE HB3 H 1 3.103 0 . 2 . . . . 35 PHE HB2 . 15659 1 399 . 1 1 35 35 PHE HD1 H 1 7.131 0 . 3 . . . . 35 PHE HD1 . 15659 1 400 . 1 1 35 35 PHE HD2 H 1 7.131 0 . 3 . . . . 35 PHE HD2 . 15659 1 401 . 1 1 35 35 PHE HE1 H 1 6.937 0 . 3 . . . . 35 PHE HE1 . 15659 1 402 . 1 1 35 35 PHE HE2 H 1 6.937 0 . 3 . . . . 35 PHE HE2 . 15659 1 403 . 1 1 35 35 PHE HZ H 1 6.892 0 . 1 . . . . 35 PHE HZ . 15659 1 404 . 1 1 35 35 PHE C C 13 178.728 0 . 1 . . . . 35 PHE C . 15659 1 405 . 1 1 35 35 PHE CA C 13 62.994 0 . 1 . . . . 35 PHE CA . 15659 1 406 . 1 1 35 35 PHE CB C 13 37.964 0 . 1 . . . . 35 PHE CB . 15659 1 407 . 1 1 35 35 PHE CD1 C 13 131.136 0 . 3 . . . . 35 PHE CD1 . 15659 1 408 . 1 1 35 35 PHE CD2 C 13 131.136 0 . 3 . . . . 35 PHE CD2 . 15659 1 409 . 1 1 35 35 PHE CE1 C 13 131.005 0 . 3 . . . . 35 PHE CE1 . 15659 1 410 . 1 1 35 35 PHE CE2 C 13 131.005 0 . 3 . . . . 35 PHE CE2 . 15659 1 411 . 1 1 35 35 PHE CZ C 13 127.620 0 . 1 . . . . 35 PHE CZ . 15659 1 412 . 1 1 35 35 PHE N N 15 123.273 0 . 1 . . . . 35 PHE N . 15659 1 413 . 1 1 36 36 GLU H H 1 9.540 0 . 1 . . . . 36 GLU HN . 15659 1 414 . 1 1 36 36 GLU HA H 1 4.357 0 . 1 . . . . 36 GLU HA . 15659 1 415 . 1 1 36 36 GLU HB2 H 1 2.272 0 . 2 . . . . 36 GLU HB1 . 15659 1 416 . 1 1 36 36 GLU HB3 H 1 2.138 0 . 2 . . . . 36 GLU HB2 . 15659 1 417 . 1 1 36 36 GLU HG2 H 1 2.491 0 . 2 . . . . 36 GLU HG1 . 15659 1 418 . 1 1 36 36 GLU HG3 H 1 2.491 0 . 2 . . . . 36 GLU HG2 . 15659 1 419 . 1 1 36 36 GLU C C 13 178.636 0 . 1 . . . . 36 GLU C . 15659 1 420 . 1 1 36 36 GLU CA C 13 59.160 0 . 1 . . . . 36 GLU CA . 15659 1 421 . 1 1 36 36 GLU CB C 13 29.610 0 . 1 . . . . 36 GLU CB . 15659 1 422 . 1 1 36 36 GLU CG C 13 35.906 0 . 1 . . . . 36 GLU CG . 15659 1 423 . 1 1 36 36 GLU N N 15 117.074 0 . 1 . . . . 36 GLU N . 15659 1 424 . 1 1 37 37 ASP H H 1 7.532 0 . 1 . . . . 37 ASP HN . 15659 1 425 . 1 1 37 37 ASP HA H 1 4.811 0 . 1 . . . . 37 ASP HA . 15659 1 426 . 1 1 37 37 ASP HB2 H 1 3.099 0 . 2 . . . . 37 ASP HB1 . 15659 1 427 . 1 1 37 37 ASP HB3 H 1 3.004 0 . 2 . . . . 37 ASP HB2 . 15659 1 428 . 1 1 37 37 ASP C C 13 177.974 0 . 1 . . . . 37 ASP C . 15659 1 429 . 1 1 37 37 ASP CA C 13 56.496 0 . 1 . . . . 37 ASP CA . 15659 1 430 . 1 1 37 37 ASP CB C 13 41.271 0 . 1 . . . . 37 ASP CB . 15659 1 431 . 1 1 37 37 ASP N N 15 118.229 0 . 1 . . . . 37 ASP N . 15659 1 432 . 1 1 38 38 ILE H H 1 7.728 0 . 1 . . . . 38 ILE HN . 15659 1 433 . 1 1 38 38 ILE HA H 1 4.676 0 . 1 . . . . 38 ILE HA . 15659 1 434 . 1 1 38 38 ILE HB H 1 2.473 0 . 1 . . . . 38 ILE HB . 15659 1 435 . 1 1 38 38 ILE HD11 H 1 0.892 0 . 1 . . . . 38 ILE HD11 . 15659 1 436 . 1 1 38 38 ILE HD12 H 1 0.892 0 . 1 . . . . 38 ILE HD12 . 15659 1 437 . 1 1 38 38 ILE HD13 H 1 0.892 0 . 1 . . . . 38 ILE HD13 . 15659 1 438 . 1 1 38 38 ILE HG12 H 1 1.830 0 . 2 . . . . 38 ILE HG11 . 15659 1 439 . 1 1 38 38 ILE HG13 H 1 1.568 0 . 2 . . . . 38 ILE HG12 . 15659 1 440 . 1 1 38 38 ILE HG21 H 1 1.079 0 . 1 . . . . 38 ILE HG21 . 15659 1 441 . 1 1 38 38 ILE HG22 H 1 1.079 0 . 1 . . . . 38 ILE HG22 . 15659 1 442 . 1 1 38 38 ILE HG23 H 1 1.079 0 . 1 . . . . 38 ILE HG23 . 15659 1 443 . 1 1 38 38 ILE C C 13 176.102 0 . 1 . . . . 38 ILE C . 15659 1 444 . 1 1 38 38 ILE CA C 13 61.973 0 . 1 . . . . 38 ILE CA . 15659 1 445 . 1 1 38 38 ILE CB C 13 38.682 0 . 1 . . . . 38 ILE CB . 15659 1 446 . 1 1 38 38 ILE CD1 C 13 13.878 0 . 1 . . . . 38 ILE CD1 . 15659 1 447 . 1 1 38 38 ILE CG1 C 13 27.293 0 . 1 . . . . 38 ILE CG1 . 15659 1 448 . 1 1 38 38 ILE CG2 C 13 18.730 0 . 1 . . . . 38 ILE CG2 . 15659 1 449 . 1 1 38 38 ILE N N 15 112.806 0 . 1 . . . . 38 ILE N . 15659 1 450 . 1 1 39 39 GLY H H 1 7.735 0 . 1 . . . . 39 GLY HN . 15659 1 451 . 1 1 39 39 GLY HA2 H 1 4.271 0 . 2 . . . . 39 GLY HA1 . 15659 1 452 . 1 1 39 39 GLY HA3 H 1 3.898 0 . 2 . . . . 39 GLY HA2 . 15659 1 453 . 1 1 39 39 GLY C C 13 174.444 0 . 1 . . . . 39 GLY C . 15659 1 454 . 1 1 39 39 GLY CA C 13 46.438 0 . 1 . . . . 39 GLY CA . 15659 1 455 . 1 1 39 39 GLY N N 15 107.120 0 . 1 . . . . 39 GLY N . 15659 1 456 . 1 1 40 40 TYR H H 1 8.081 0 . 1 . . . . 40 TYR HN . 15659 1 457 . 1 1 40 40 TYR HA H 1 4.586 0 . 1 . . . . 40 TYR HA . 15659 1 458 . 1 1 40 40 TYR HB2 H 1 3.008 0 . 2 . . . . 40 TYR HB1 . 15659 1 459 . 1 1 40 40 TYR HB3 H 1 2.821 0 . 2 . . . . 40 TYR HB2 . 15659 1 460 . 1 1 40 40 TYR HD1 H 1 6.976 0 . 3 . . . . 40 TYR HD1 . 15659 1 461 . 1 1 40 40 TYR HD2 H 1 6.976 0 . 3 . . . . 40 TYR HD2 . 15659 1 462 . 1 1 40 40 TYR HE1 H 1 6.737 0 . 3 . . . . 40 TYR HE1 . 15659 1 463 . 1 1 40 40 TYR HE2 H 1 6.738 0 . 3 . . . . 40 TYR HE2 . 15659 1 464 . 1 1 40 40 TYR C C 13 174.461 0 . 1 . . . . 40 TYR C . 15659 1 465 . 1 1 40 40 TYR CA C 13 58.185 0 . 1 . . . . 40 TYR CA . 15659 1 466 . 1 1 40 40 TYR CB C 13 40.424 0 . 1 . . . . 40 TYR CB . 15659 1 467 . 1 1 40 40 TYR CD1 C 13 132.028 0 . 3 . . . . 40 TYR CD1 . 15659 1 468 . 1 1 40 40 TYR CD2 C 13 132.028 0 . 3 . . . . 40 TYR CD2 . 15659 1 469 . 1 1 40 40 TYR CE1 C 13 118.085 0 . 3 . . . . 40 TYR CE1 . 15659 1 470 . 1 1 40 40 TYR CE2 C 13 118.085 0 . 3 . . . . 40 TYR CE2 . 15659 1 471 . 1 1 40 40 TYR N N 15 121.688 0 . 1 . . . . 40 TYR N . 15659 1 472 . 1 1 41 41 ASP H H 1 8.040 0 . 1 . . . . 41 ASP HN . 15659 1 473 . 1 1 41 41 ASP HA H 1 4.727 0 . 1 . . . . 41 ASP HA . 15659 1 474 . 1 1 41 41 ASP HB2 H 1 3.211 0 . 2 . . . . 41 ASP HB1 . 15659 1 475 . 1 1 41 41 ASP HB3 H 1 2.832 0 . 2 . . . . 41 ASP HB2 . 15659 1 476 . 1 1 41 41 ASP C C 13 175.980 0 . 1 . . . . 41 ASP C . 15659 1 477 . 1 1 41 41 ASP CA C 13 52.812 0 . 1 . . . . 41 ASP CA . 15659 1 478 . 1 1 41 41 ASP CB C 13 42.068 0 . 1 . . . . 41 ASP CB . 15659 1 479 . 1 1 41 41 ASP N N 15 124.041 0 . 1 . . . . 41 ASP N . 15659 1 480 . 1 1 42 42 SER H H 1 8.561 0 . 1 . . . . 42 SER HN . 15659 1 481 . 1 1 42 42 SER HA H 1 4.198 0 . 1 . . . . 42 SER HA . 15659 1 482 . 1 1 42 42 SER HB2 H 1 4.058 0 . 2 . . . . 42 SER HB1 . 15659 1 483 . 1 1 42 42 SER HB3 H 1 4.011 0 . 2 . . . . 42 SER HB2 . 15659 1 484 . 1 1 42 42 SER C C 13 176.472 0 . 1 . . . . 42 SER C . 15659 1 485 . 1 1 42 42 SER CA C 13 62.309 0 . 1 . . . . 42 SER CA . 15659 1 486 . 1 1 42 42 SER CB C 13 62.943 0 . 1 . . . . 42 SER CB . 15659 1 487 . 1 1 42 42 SER N N 15 114.493 0 . 1 . . . . 42 SER N . 15659 1 488 . 1 1 43 43 LEU H H 1 7.804 0 . 1 . . . . 43 LEU HN . 15659 1 489 . 1 1 43 43 LEU HA H 1 4.270 0 . 1 . . . . 43 LEU HA . 15659 1 490 . 1 1 43 43 LEU HB2 H 1 1.908 0 . 2 . . . . 43 LEU HB1 . 15659 1 491 . 1 1 43 43 LEU HB3 H 1 1.777 0 . 2 . . . . 43 LEU HB2 . 15659 1 492 . 1 1 43 43 LEU HD11 H 1 1.002 0 . 2 . . . . 43 LEU HD11 . 15659 1 493 . 1 1 43 43 LEU HD12 H 1 1.002 0 . 2 . . . . 43 LEU HD12 . 15659 1 494 . 1 1 43 43 LEU HD13 H 1 1.002 0 . 2 . . . . 43 LEU HD13 . 15659 1 495 . 1 1 43 43 LEU HD21 H 1 1.066 0 . 2 . . . . 43 LEU HD21 . 15659 1 496 . 1 1 43 43 LEU HD22 H 1 1.066 0 . 2 . . . . 43 LEU HD22 . 15659 1 497 . 1 1 43 43 LEU HD23 H 1 1.066 0 . 2 . . . . 43 LEU HD23 . 15659 1 498 . 1 1 43 43 LEU HG H 1 1.768 0 . 1 . . . . 43 LEU HG . 15659 1 499 . 1 1 43 43 LEU C C 13 179.551 0 . 1 . . . . 43 LEU C . 15659 1 500 . 1 1 43 43 LEU CA C 13 58.369 0 . 1 . . . . 43 LEU CA . 15659 1 501 . 1 1 43 43 LEU CB C 13 41.057 0 . 1 . . . . 43 LEU CB . 15659 1 502 . 1 1 43 43 LEU CD1 C 13 24.116 0 . 2 . . . . 43 LEU CD1 . 15659 1 503 . 1 1 43 43 LEU CD2 C 13 24.582 0 . 2 . . . . 43 LEU CD2 . 15659 1 504 . 1 1 43 43 LEU CG C 13 27.524 0 . 1 . . . . 43 LEU CG . 15659 1 505 . 1 1 43 43 LEU N N 15 122.459 0 . 1 . . . . 43 LEU N . 15659 1 506 . 1 1 44 44 ALA H H 1 8.064 0 . 1 . . . . 44 ALA HN . 15659 1 507 . 1 1 44 44 ALA HA H 1 4.334 0 . 1 . . . . 44 ALA HA . 15659 1 508 . 1 1 44 44 ALA HB1 H 1 1.528 0 . 1 . . . . 44 ALA HB1 . 15659 1 509 . 1 1 44 44 ALA HB2 H 1 1.528 0 . 1 . . . . 44 ALA HB2 . 15659 1 510 . 1 1 44 44 ALA HB3 H 1 1.528 0 . 1 . . . . 44 ALA HB3 . 15659 1 511 . 1 1 44 44 ALA C C 13 181.733 0 . 1 . . . . 44 ALA C . 15659 1 512 . 1 1 44 44 ALA CA C 13 54.987 0 . 1 . . . . 44 ALA CA . 15659 1 513 . 1 1 44 44 ALA CB C 13 18.500 0 . 1 . . . . 44 ALA CB . 15659 1 514 . 1 1 44 44 ALA N N 15 123.223 0 . 1 . . . . 44 ALA N . 15659 1 515 . 1 1 45 45 LEU H H 1 8.422 0 . 1 . . . . 45 LEU HN . 15659 1 516 . 1 1 45 45 LEU HA H 1 3.907 0 . 1 . . . . 45 LEU HA . 15659 1 517 . 1 1 45 45 LEU HB2 H 1 1.657 0 . 2 . . . . 45 LEU HB1 . 15659 1 518 . 1 1 45 45 LEU HB3 H 1 1.555 0 . 2 . . . . 45 LEU HB2 . 15659 1 519 . 1 1 45 45 LEU HD11 H 1 0.211 0 . 2 . . . . 45 LEU HD11 . 15659 1 520 . 1 1 45 45 LEU HD12 H 1 0.211 0 . 2 . . . . 45 LEU HD12 . 15659 1 521 . 1 1 45 45 LEU HD13 H 1 0.211 0 . 2 . . . . 45 LEU HD13 . 15659 1 522 . 1 1 45 45 LEU HD21 H 1 0.393 0 . 2 . . . . 45 LEU HD21 . 15659 1 523 . 1 1 45 45 LEU HD22 H 1 0.393 0 . 2 . . . . 45 LEU HD22 . 15659 1 524 . 1 1 45 45 LEU HD23 H 1 0.393 0 . 2 . . . . 45 LEU HD23 . 15659 1 525 . 1 1 45 45 LEU HG H 1 1.366 0 . 1 . . . . 45 LEU HG . 15659 1 526 . 1 1 45 45 LEU C C 13 178.613 0 . 1 . . . . 45 LEU C . 15659 1 527 . 1 1 45 45 LEU CA C 13 58.419 0 . 1 . . . . 45 LEU CA . 15659 1 528 . 1 1 45 45 LEU CB C 13 41.643 0 . 1 . . . . 45 LEU CB . 15659 1 529 . 1 1 45 45 LEU CD1 C 13 23.345 0 . 2 . . . . 45 LEU CD1 . 15659 1 530 . 1 1 45 45 LEU CD2 C 13 23.829 0 . 2 . . . . 45 LEU CD2 . 15659 1 531 . 1 1 45 45 LEU CG C 13 27.077 0 . 1 . . . . 45 LEU CG . 15659 1 532 . 1 1 45 45 LEU N N 15 121.714 0 . 1 . . . . 45 LEU N . 15659 1 533 . 1 1 46 46 MET H H 1 8.344 0 . 1 . . . . 46 MET HN . 15659 1 534 . 1 1 46 46 MET HA H 1 4.259 0 . 1 . . . . 46 MET HA . 15659 1 535 . 1 1 46 46 MET HB2 H 1 2.369 0 . 2 . . . . 46 MET HB1 . 15659 1 536 . 1 1 46 46 MET HB3 H 1 2.264 0 . 2 . . . . 46 MET HB2 . 15659 1 537 . 1 1 46 46 MET HG2 H 1 2.878 0 . 2 . . . . 46 MET HG1 . 15659 1 538 . 1 1 46 46 MET HG3 H 1 2.767 0 . 2 . . . . 46 MET HG2 . 15659 1 539 . 1 1 46 46 MET C C 13 179.856 0 . 1 . . . . 46 MET C . 15659 1 540 . 1 1 46 46 MET CA C 13 58.769 0 . 1 . . . . 46 MET CA . 15659 1 541 . 1 1 46 46 MET CB C 13 32.022 0 . 1 . . . . 46 MET CB . 15659 1 542 . 1 1 46 46 MET CG C 13 32.343 0 . 1 . . . . 46 MET CG . 15659 1 543 . 1 1 46 46 MET N N 15 119.039 0 . 1 . . . . 46 MET N . 15659 1 544 . 1 1 47 47 GLU H H 1 8.414 0 . 1 . . . . 47 GLU HN . 15659 1 545 . 1 1 47 47 GLU HA H 1 4.257 0 . 1 . . . . 47 GLU HA . 15659 1 546 . 1 1 47 47 GLU HB2 H 1 2.346 0 . 2 . . . . 47 GLU HB1 . 15659 1 547 . 1 1 47 47 GLU HB3 H 1 2.227 0 . 2 . . . . 47 GLU HB2 . 15659 1 548 . 1 1 47 47 GLU HG2 H 1 2.588 0 . 2 . . . . 47 GLU HG1 . 15659 1 549 . 1 1 47 47 GLU HG3 H 1 2.468 0 . 2 . . . . 47 GLU HG2 . 15659 1 550 . 1 1 47 47 GLU C C 13 179.208 0 . 1 . . . . 47 GLU C . 15659 1 551 . 1 1 47 47 GLU CA C 13 59.504 0 . 1 . . . . 47 GLU CA . 15659 1 552 . 1 1 47 47 GLU CB C 13 29.229 0 . 1 . . . . 47 GLU CB . 15659 1 553 . 1 1 47 47 GLU CG C 13 35.805 0 . 1 . . . . 47 GLU CG . 15659 1 554 . 1 1 47 47 GLU N N 15 121.231 0 . 1 . . . . 47 GLU N . 15659 1 555 . 1 1 48 48 THR H H 1 8.329 0 . 1 . . . . 48 THR HN . 15659 1 556 . 1 1 48 48 THR HA H 1 3.962 0 . 1 . . . . 48 THR HA . 15659 1 557 . 1 1 48 48 THR HB H 1 4.432 0 . 1 . . . . 48 THR HB . 15659 1 558 . 1 1 48 48 THR HG21 H 1 1.138 0 . 1 . . . . 48 THR HG21 . 15659 1 559 . 1 1 48 48 THR HG22 H 1 1.138 0 . 1 . . . . 48 THR HG22 . 15659 1 560 . 1 1 48 48 THR HG23 H 1 1.138 0 . 1 . . . . 48 THR HG23 . 15659 1 561 . 1 1 48 48 THR C C 13 176.334 0 . 1 . . . . 48 THR C . 15659 1 562 . 1 1 48 48 THR CA C 13 67.882 0 . 1 . . . . 48 THR CA . 15659 1 563 . 1 1 48 48 THR CB C 13 68.478 0 . 1 . . . . 48 THR CB . 15659 1 564 . 1 1 48 48 THR CG2 C 13 20.767 0 . 1 . . . . 48 THR CG2 . 15659 1 565 . 1 1 48 48 THR N N 15 118.600 0 . 1 . . . . 48 THR N . 15659 1 566 . 1 1 49 49 ALA H H 1 8.756 0 . 1 . . . . 49 ALA HN . 15659 1 567 . 1 1 49 49 ALA HA H 1 3.963 0 . 1 . . . . 49 ALA HA . 15659 1 568 . 1 1 49 49 ALA HB1 H 1 1.540 0 . 1 . . . . 49 ALA HB1 . 15659 1 569 . 1 1 49 49 ALA HB2 H 1 1.540 0 . 1 . . . . 49 ALA HB2 . 15659 1 570 . 1 1 49 49 ALA HB3 H 1 1.540 0 . 1 . . . . 49 ALA HB3 . 15659 1 571 . 1 1 49 49 ALA C C 13 178.615 0 . 1 . . . . 49 ALA C . 15659 1 572 . 1 1 49 49 ALA CA C 13 56.227 0 . 1 . . . . 49 ALA CA . 15659 1 573 . 1 1 49 49 ALA CB C 13 17.499 0 . 1 . . . . 49 ALA CB . 15659 1 574 . 1 1 49 49 ALA N N 15 123.599 0 . 1 . . . . 49 ALA N . 15659 1 575 . 1 1 50 50 ALA H H 1 8.191 0 . 1 . . . . 50 ALA HN . 15659 1 576 . 1 1 50 50 ALA HA H 1 4.281 0 . 1 . . . . 50 ALA HA . 15659 1 577 . 1 1 50 50 ALA HB1 H 1 1.672 0 . 1 . . . . 50 ALA HB1 . 15659 1 578 . 1 1 50 50 ALA HB2 H 1 1.672 0 . 1 . . . . 50 ALA HB2 . 15659 1 579 . 1 1 50 50 ALA HB3 H 1 1.672 0 . 1 . . . . 50 ALA HB3 . 15659 1 580 . 1 1 50 50 ALA C C 13 181.272 0 . 1 . . . . 50 ALA C . 15659 1 581 . 1 1 50 50 ALA CA C 13 55.488 0 . 1 . . . . 50 ALA CA . 15659 1 582 . 1 1 50 50 ALA CB C 13 18.107 0 . 1 . . . . 50 ALA CB . 15659 1 583 . 1 1 50 50 ALA N N 15 119.558 0 . 1 . . . . 50 ALA N . 15659 1 584 . 1 1 51 51 ARG H H 1 8.146 0 . 1 . . . . 51 ARG HN . 15659 1 585 . 1 1 51 51 ARG HA H 1 4.257 0 . 1 . . . . 51 ARG HA . 15659 1 586 . 1 1 51 51 ARG HB2 H 1 2.203 0 . 2 . . . . 51 ARG HB1 . 15659 1 587 . 1 1 51 51 ARG HB3 H 1 2.040 0 . 2 . . . . 51 ARG HB2 . 15659 1 588 . 1 1 51 51 ARG HD2 H 1 3.450 0 . 2 . . . . 51 ARG HD1 . 15659 1 589 . 1 1 51 51 ARG HD3 H 1 3.322 0 . 2 . . . . 51 ARG HD2 . 15659 1 590 . 1 1 51 51 ARG HE H 1 7.591 0 . 1 . . . . 51 ARG HE . 15659 1 591 . 1 1 51 51 ARG HG2 H 1 1.994 0 . 2 . . . . 51 ARG HG1 . 15659 1 592 . 1 1 51 51 ARG HG3 H 1 1.756 0 . 2 . . . . 51 ARG HG2 . 15659 1 593 . 1 1 51 51 ARG C C 13 179.815 0 . 1 . . . . 51 ARG C . 15659 1 594 . 1 1 51 51 ARG CA C 13 59.591 0 . 1 . . . . 51 ARG CA . 15659 1 595 . 1 1 51 51 ARG CB C 13 30.400 0 . 1 . . . . 51 ARG CB . 15659 1 596 . 1 1 51 51 ARG CD C 13 43.635 0 . 1 . . . . 51 ARG CD . 15659 1 597 . 1 1 51 51 ARG CG C 13 28.281 0 . 1 . . . . 51 ARG CG . 15659 1 598 . 1 1 51 51 ARG CZ C 13 159.701 0 . 1 . . . . 51 ARG CZ . 15659 1 599 . 1 1 51 51 ARG N N 15 119.722 0 . 1 . . . . 51 ARG N . 15659 1 600 . 1 1 51 51 ARG NE N 15 85.014 0 . 1 . . . . 51 ARG NE . 15659 1 601 . 1 1 52 52 LEU H H 1 8.432 0 . 1 . . . . 52 LEU HN . 15659 1 602 . 1 1 52 52 LEU HA H 1 4.330 0 . 1 . . . . 52 LEU HA . 15659 1 603 . 1 1 52 52 LEU HB2 H 1 2.223 0 . 2 . . . . 52 LEU HB1 . 15659 1 604 . 1 1 52 52 LEU HB3 H 1 1.453 0 . 2 . . . . 52 LEU HB2 . 15659 1 605 . 1 1 52 52 LEU HD11 H 1 0.876 0 . 2 . . . . 52 LEU HD11 . 15659 1 606 . 1 1 52 52 LEU HD12 H 1 0.876 0 . 2 . . . . 52 LEU HD12 . 15659 1 607 . 1 1 52 52 LEU HD13 H 1 0.876 0 . 2 . . . . 52 LEU HD13 . 15659 1 608 . 1 1 52 52 LEU HD21 H 1 1.052 0 . 2 . . . . 52 LEU HD21 . 15659 1 609 . 1 1 52 52 LEU HD22 H 1 1.052 0 . 2 . . . . 52 LEU HD22 . 15659 1 610 . 1 1 52 52 LEU HD23 H 1 1.052 0 . 2 . . . . 52 LEU HD23 . 15659 1 611 . 1 1 52 52 LEU HG H 1 2.060 0 . 1 . . . . 52 LEU HG . 15659 1 612 . 1 1 52 52 LEU C C 13 179.152 0 . 1 . . . . 52 LEU C . 15659 1 613 . 1 1 52 52 LEU CA C 13 58.139 0 . 1 . . . . 52 LEU CA . 15659 1 614 . 1 1 52 52 LEU CB C 13 42.615 0 . 1 . . . . 52 LEU CB . 15659 1 615 . 1 1 52 52 LEU CD1 C 13 26.444 0 . 2 . . . . 52 LEU CD1 . 15659 1 616 . 1 1 52 52 LEU CD2 C 13 23.537 0 . 2 . . . . 52 LEU CD2 . 15659 1 617 . 1 1 52 52 LEU CG C 13 26.704 0 . 1 . . . . 52 LEU CG . 15659 1 618 . 1 1 52 52 LEU N N 15 120.470 0 . 1 . . . . 52 LEU N . 15659 1 619 . 1 1 53 53 GLU H H 1 8.989 0 . 1 . . . . 53 GLU HN . 15659 1 620 . 1 1 53 53 GLU HA H 1 4.105 0 . 1 . . . . 53 GLU HA . 15659 1 621 . 1 1 53 53 GLU HB2 H 1 2.517 0 . 2 . . . . 53 GLU HB1 . 15659 1 622 . 1 1 53 53 GLU HB3 H 1 2.377 0 . 2 . . . . 53 GLU HB2 . 15659 1 623 . 1 1 53 53 GLU HG2 H 1 2.750 0 . 2 . . . . 53 GLU HG1 . 15659 1 624 . 1 1 53 53 GLU HG3 H 1 2.302 0 . 2 . . . . 53 GLU HG2 . 15659 1 625 . 1 1 53 53 GLU C C 13 179.370 0 . 1 . . . . 53 GLU C . 15659 1 626 . 1 1 53 53 GLU CA C 13 60.145 0 . 1 . . . . 53 GLU CA . 15659 1 627 . 1 1 53 53 GLU CB C 13 29.184 0 . 1 . . . . 53 GLU CB . 15659 1 628 . 1 1 53 53 GLU CG C 13 34.938 0 . 1 . . . . 53 GLU CG . 15659 1 629 . 1 1 53 53 GLU N N 15 119.668 0 . 1 . . . . 53 GLU N . 15659 1 630 . 1 1 54 54 SER H H 1 8.028 0 . 1 . . . . 54 SER HN . 15659 1 631 . 1 1 54 54 SER HA H 1 4.392 0 . 1 . . . . 54 SER HA . 15659 1 632 . 1 1 54 54 SER HB2 H 1 4.124 0 . 2 . . . . 54 SER HB1 . 15659 1 633 . 1 1 54 54 SER HB3 H 1 4.124 0 . 2 . . . . 54 SER HB2 . 15659 1 634 . 1 1 54 54 SER C C 13 176.891 0 . 1 . . . . 54 SER C . 15659 1 635 . 1 1 54 54 SER CA C 13 61.162 0 . 1 . . . . 54 SER CA . 15659 1 636 . 1 1 54 54 SER CB C 13 63.222 0 . 1 . . . . 54 SER CB . 15659 1 637 . 1 1 54 54 SER N N 15 112.842 0 . 1 . . . . 54 SER N . 15659 1 638 . 1 1 55 55 ARG H H 1 8.070 0 . 1 . . . . 55 ARG HN . 15659 1 639 . 1 1 55 55 ARG HA H 1 4.111 0 . 1 . . . . 55 ARG HA . 15659 1 640 . 1 1 55 55 ARG HB2 H 1 1.906 0 . 2 . . . . 55 ARG HB1 . 15659 1 641 . 1 1 55 55 ARG HB3 H 1 1.631 0 . 2 . . . . 55 ARG HB2 . 15659 1 642 . 1 1 55 55 ARG HD2 H 1 3.104 0 . 2 . . . . 55 ARG HD1 . 15659 1 643 . 1 1 55 55 ARG HD3 H 1 3.037 0 . 2 . . . . 55 ARG HD2 . 15659 1 644 . 1 1 55 55 ARG HE H 1 7.194 0 . 1 . . . . 55 ARG HE . 15659 1 645 . 1 1 55 55 ARG HG2 H 1 1.378 0 . 2 . . . . 55 ARG HG1 . 15659 1 646 . 1 1 55 55 ARG HG3 H 1 1.006 0 . 2 . . . . 55 ARG HG2 . 15659 1 647 . 1 1 55 55 ARG C C 13 177.830 0 . 1 . . . . 55 ARG C . 15659 1 648 . 1 1 55 55 ARG CA C 13 58.824 0 . 1 . . . . 55 ARG CA . 15659 1 649 . 1 1 55 55 ARG CB C 13 30.829 0 . 1 . . . . 55 ARG CB . 15659 1 650 . 1 1 55 55 ARG CD C 13 43.550 0 . 1 . . . . 55 ARG CD . 15659 1 651 . 1 1 55 55 ARG CG C 13 26.971 0 . 1 . . . . 55 ARG CG . 15659 1 652 . 1 1 55 55 ARG CZ C 13 159.974 0 . 1 . . . . 55 ARG CZ . 15659 1 653 . 1 1 55 55 ARG N N 15 120.550 0 . 1 . . . . 55 ARG N . 15659 1 654 . 1 1 55 55 ARG NE N 15 84.917 0 . 1 . . . . 55 ARG NE . 15659 1 655 . 1 1 56 56 TYR H H 1 8.171 0 . 1 . . . . 56 TYR HN . 15659 1 656 . 1 1 56 56 TYR HA H 1 4.685 0 . 1 . . . . 56 TYR HA . 15659 1 657 . 1 1 56 56 TYR HB2 H 1 3.462 0 . 2 . . . . 56 TYR HB1 . 15659 1 658 . 1 1 56 56 TYR HB3 H 1 2.801 0 . 2 . . . . 56 TYR HB2 . 15659 1 659 . 1 1 56 56 TYR HD1 H 1 7.450 0 . 3 . . . . 56 TYR HD1 . 15659 1 660 . 1 1 56 56 TYR HD2 H 1 7.450 0 . 3 . . . . 56 TYR HD2 . 15659 1 661 . 1 1 56 56 TYR HE1 H 1 6.824 0 . 3 . . . . 56 TYR HE1 . 15659 1 662 . 1 1 56 56 TYR HE2 H 1 6.824 0 . 3 . . . . 56 TYR HE2 . 15659 1 663 . 1 1 56 56 TYR C C 13 176.027 0 . 1 . . . . 56 TYR C . 15659 1 664 . 1 1 56 56 TYR CA C 13 59.110 0 . 1 . . . . 56 TYR CA . 15659 1 665 . 1 1 56 56 TYR CB C 13 39.339 0 . 1 . . . . 56 TYR CB . 15659 1 666 . 1 1 56 56 TYR CD1 C 13 132.844 0 . 3 . . . . 56 TYR CD1 . 15659 1 667 . 1 1 56 56 TYR CD2 C 13 132.844 0 . 3 . . . . 56 TYR CD2 . 15659 1 668 . 1 1 56 56 TYR CE1 C 13 118.016 0 . 3 . . . . 56 TYR CE1 . 15659 1 669 . 1 1 56 56 TYR CE2 C 13 118.016 0 . 3 . . . . 56 TYR CE2 . 15659 1 670 . 1 1 56 56 TYR N N 15 113.561 0 . 1 . . . . 56 TYR N . 15659 1 671 . 1 1 57 57 GLY H H 1 7.998 0 . 1 . . . . 57 GLY HN . 15659 1 672 . 1 1 57 57 GLY HA2 H 1 4.105 0 . 2 . . . . 57 GLY HA1 . 15659 1 673 . 1 1 57 57 GLY HA3 H 1 4.105 0 . 2 . . . . 57 GLY HA2 . 15659 1 674 . 1 1 57 57 GLY C C 13 174.600 0 . 1 . . . . 57 GLY C . 15659 1 675 . 1 1 57 57 GLY CA C 13 47.349 0 . 1 . . . . 57 GLY CA . 15659 1 676 . 1 1 57 57 GLY N N 15 109.470 0 . 1 . . . . 57 GLY N . 15659 1 677 . 1 1 58 58 VAL H H 1 7.515 0 . 1 . . . . 58 VAL HN . 15659 1 678 . 1 1 58 58 VAL HA H 1 4.694 0 . 1 . . . . 58 VAL HA . 15659 1 679 . 1 1 58 58 VAL HB H 1 2.142 0 . 1 . . . . 58 VAL HB . 15659 1 680 . 1 1 58 58 VAL HG11 H 1 0.933 0 . 2 . . . . 58 VAL HG11 . 15659 1 681 . 1 1 58 58 VAL HG12 H 1 0.933 0 . 2 . . . . 58 VAL HG12 . 15659 1 682 . 1 1 58 58 VAL HG13 H 1 0.933 0 . 2 . . . . 58 VAL HG13 . 15659 1 683 . 1 1 58 58 VAL HG21 H 1 0.981 0 . 2 . . . . 58 VAL HG21 . 15659 1 684 . 1 1 58 58 VAL HG22 H 1 0.981 0 . 2 . . . . 58 VAL HG22 . 15659 1 685 . 1 1 58 58 VAL HG23 H 1 0.981 0 . 2 . . . . 58 VAL HG23 . 15659 1 686 . 1 1 58 58 VAL C C 13 174.016 0 . 1 . . . . 58 VAL C . 15659 1 687 . 1 1 58 58 VAL CA C 13 59.282 0 . 1 . . . . 58 VAL CA . 15659 1 688 . 1 1 58 58 VAL CB C 13 34.791 0 . 1 . . . . 58 VAL CB . 15659 1 689 . 1 1 58 58 VAL CG1 C 13 19.532 0 . 2 . . . . 58 VAL CG1 . 15659 1 690 . 1 1 58 58 VAL CG2 C 13 21.556 0 . 2 . . . . 58 VAL CG2 . 15659 1 691 . 1 1 58 58 VAL N N 15 112.406 0 . 1 . . . . 58 VAL N . 15659 1 692 . 1 1 59 59 SER H H 1 8.489 0 . 1 . . . . 59 SER HN . 15659 1 693 . 1 1 59 59 SER HA H 1 4.847 0 . 1 . . . . 59 SER HA . 15659 1 694 . 1 1 59 59 SER HB2 H 1 3.809 0 . 2 . . . . 59 SER HB1 . 15659 1 695 . 1 1 59 59 SER HB3 H 1 3.763 0 . 2 . . . . 59 SER HB2 . 15659 1 696 . 1 1 59 59 SER C C 13 173.643 0 . 1 . . . . 59 SER C . 15659 1 697 . 1 1 59 59 SER CA C 13 57.213 0 . 1 . . . . 59 SER CA . 15659 1 698 . 1 1 59 59 SER CB C 13 64.285 0 . 1 . . . . 59 SER CB . 15659 1 699 . 1 1 59 59 SER N N 15 116.724 0 . 1 . . . . 59 SER N . 15659 1 700 . 1 1 60 60 ILE H H 1 8.224 0 . 1 . . . . 60 ILE HN . 15659 1 701 . 1 1 60 60 ILE HA H 1 4.676 0 . 1 . . . . 60 ILE HA . 15659 1 702 . 1 1 60 60 ILE HB H 1 1.796 0 . 1 . . . . 60 ILE HB . 15659 1 703 . 1 1 60 60 ILE HD11 H 1 0.852 0 . 1 . . . . 60 ILE HD11 . 15659 1 704 . 1 1 60 60 ILE HD12 H 1 0.852 0 . 1 . . . . 60 ILE HD12 . 15659 1 705 . 1 1 60 60 ILE HD13 H 1 0.852 0 . 1 . . . . 60 ILE HD13 . 15659 1 706 . 1 1 60 60 ILE HG12 H 1 1.486 0 . 2 . . . . 60 ILE HG11 . 15659 1 707 . 1 1 60 60 ILE HG13 H 1 1.125 0 . 2 . . . . 60 ILE HG12 . 15659 1 708 . 1 1 60 60 ILE HG21 H 1 1.032 0 . 1 . . . . 60 ILE HG21 . 15659 1 709 . 1 1 60 60 ILE HG22 H 1 1.032 0 . 1 . . . . 60 ILE HG22 . 15659 1 710 . 1 1 60 60 ILE HG23 H 1 1.032 0 . 1 . . . . 60 ILE HG23 . 15659 1 711 . 1 1 60 60 ILE CA C 13 57.702 0 . 1 . . . . 60 ILE CA . 15659 1 712 . 1 1 60 60 ILE CB C 13 40.520 0 . 1 . . . . 60 ILE CB . 15659 1 713 . 1 1 60 60 ILE CD1 C 13 13.966 0 . 1 . . . . 60 ILE CD1 . 15659 1 714 . 1 1 60 60 ILE CG1 C 13 27.117 0 . 1 . . . . 60 ILE CG1 . 15659 1 715 . 1 1 60 60 ILE CG2 C 13 17.401 0 . 1 . . . . 60 ILE CG2 . 15659 1 716 . 1 1 60 60 ILE N N 15 125.582 0 . 1 . . . . 60 ILE N . 15659 1 717 . 1 1 61 61 PRO HA H 1 4.543 0 . 1 . . . . 61 PRO HA . 15659 1 718 . 1 1 61 61 PRO HB2 H 1 2.563 0 . 2 . . . . 61 PRO HB1 . 15659 1 719 . 1 1 61 61 PRO HB3 H 1 2.065 0 . 2 . . . . 61 PRO HB2 . 15659 1 720 . 1 1 61 61 PRO HD2 H 1 4.022 0 . 2 . . . . 61 PRO HD1 . 15659 1 721 . 1 1 61 61 PRO HD3 H 1 3.581 0 . 2 . . . . 61 PRO HD2 . 15659 1 722 . 1 1 61 61 PRO HG2 H 1 2.157 0 . 2 . . . . 61 PRO HG1 . 15659 1 723 . 1 1 61 61 PRO HG3 H 1 2.157 0 . 2 . . . . 61 PRO HG2 . 15659 1 724 . 1 1 61 61 PRO C C 13 177.547 0 . 1 . . . . 61 PRO C . 15659 1 725 . 1 1 61 61 PRO CA C 13 63.523 0 . 1 . . . . 61 PRO CA . 15659 1 726 . 1 1 61 61 PRO CB C 13 32.704 0 . 1 . . . . 61 PRO CB . 15659 1 727 . 1 1 61 61 PRO CD C 13 51.450 0 . 1 . . . . 61 PRO CD . 15659 1 728 . 1 1 61 61 PRO CG C 13 27.965 0 . 1 . . . . 61 PRO CG . 15659 1 729 . 1 1 62 62 ASP H H 1 8.857 0 . 1 . . . . 62 ASP HN . 15659 1 730 . 1 1 62 62 ASP HA H 1 4.447 0 . 1 . . . . 62 ASP HA . 15659 1 731 . 1 1 62 62 ASP HB2 H 1 2.839 0 . 2 . . . . 62 ASP HB1 . 15659 1 732 . 1 1 62 62 ASP HB3 H 1 2.753 0 . 2 . . . . 62 ASP HB2 . 15659 1 733 . 1 1 62 62 ASP C C 13 177.504 0 . 1 . . . . 62 ASP C . 15659 1 734 . 1 1 62 62 ASP CA C 13 57.105 0 . 1 . . . . 62 ASP CA . 15659 1 735 . 1 1 62 62 ASP CB C 13 40.668 0 . 1 . . . . 62 ASP CB . 15659 1 736 . 1 1 62 62 ASP N N 15 123.624 0 . 1 . . . . 62 ASP N . 15659 1 737 . 1 1 63 63 ASP H H 1 8.691 0 . 1 . . . . 63 ASP HN . 15659 1 738 . 1 1 63 63 ASP HA H 1 4.508 0 . 1 . . . . 63 ASP HA . 15659 1 739 . 1 1 63 63 ASP HB2 H 1 2.786 0 . 2 . . . . 63 ASP HB1 . 15659 1 740 . 1 1 63 63 ASP HB3 H 1 2.777 0 . 2 . . . . 63 ASP HB2 . 15659 1 741 . 1 1 63 63 ASP C C 13 177.468 0 . 1 . . . . 63 ASP C . 15659 1 742 . 1 1 63 63 ASP CA C 13 55.267 0 . 1 . . . . 63 ASP CA . 15659 1 743 . 1 1 63 63 ASP CB C 13 39.691 0 . 1 . . . . 63 ASP CB . 15659 1 744 . 1 1 63 63 ASP N N 15 116.744 0 . 1 . . . . 63 ASP N . 15659 1 745 . 1 1 64 64 VAL H H 1 7.388 0 . 1 . . . . 64 VAL HN . 15659 1 746 . 1 1 64 64 VAL HA H 1 3.789 0 . 1 . . . . 64 VAL HA . 15659 1 747 . 1 1 64 64 VAL HB H 1 2.215 0 . 1 . . . . 64 VAL HB . 15659 1 748 . 1 1 64 64 VAL HG11 H 1 0.991 0 . 2 . . . . 64 VAL HG11 . 15659 1 749 . 1 1 64 64 VAL HG12 H 1 0.991 0 . 2 . . . . 64 VAL HG12 . 15659 1 750 . 1 1 64 64 VAL HG13 H 1 0.991 0 . 2 . . . . 64 VAL HG13 . 15659 1 751 . 1 1 64 64 VAL HG21 H 1 1.056 0 . 2 . . . . 64 VAL HG21 . 15659 1 752 . 1 1 64 64 VAL HG22 H 1 1.056 0 . 2 . . . . 64 VAL HG22 . 15659 1 753 . 1 1 64 64 VAL HG23 H 1 1.056 0 . 2 . . . . 64 VAL HG23 . 15659 1 754 . 1 1 64 64 VAL C C 13 177.793 0 . 1 . . . . 64 VAL C . 15659 1 755 . 1 1 64 64 VAL CA C 13 65.251 0 . 1 . . . . 64 VAL CA . 15659 1 756 . 1 1 64 64 VAL CB C 13 32.347 0 . 1 . . . . 64 VAL CB . 15659 1 757 . 1 1 64 64 VAL CG1 C 13 21.311 0 . 2 . . . . 64 VAL CG1 . 15659 1 758 . 1 1 64 64 VAL CG2 C 13 22.060 0 . 2 . . . . 64 VAL CG2 . 15659 1 759 . 1 1 64 64 VAL N N 15 119.303 0 . 1 . . . . 64 VAL N . 15659 1 760 . 1 1 65 65 ALA H H 1 8.212 0 . 1 . . . . 65 ALA HN . 15659 1 761 . 1 1 65 65 ALA HA H 1 3.967 0 . 1 . . . . 65 ALA HA . 15659 1 762 . 1 1 65 65 ALA HB1 H 1 1.394 0 . 1 . . . . 65 ALA HB1 . 15659 1 763 . 1 1 65 65 ALA HB2 H 1 1.394 0 . 1 . . . . 65 ALA HB2 . 15659 1 764 . 1 1 65 65 ALA HB3 H 1 1.394 0 . 1 . . . . 65 ALA HB3 . 15659 1 765 . 1 1 65 65 ALA C C 13 178.005 0 . 1 . . . . 65 ALA C . 15659 1 766 . 1 1 65 65 ALA CA C 13 55.196 0 . 1 . . . . 65 ALA CA . 15659 1 767 . 1 1 65 65 ALA CB C 13 18.373 0 . 1 . . . . 65 ALA CB . 15659 1 768 . 1 1 65 65 ALA N N 15 122.060 0 . 1 . . . . 65 ALA N . 15659 1 769 . 1 1 66 66 GLY H H 1 7.995 0 . 1 . . . . 66 GLY HN . 15659 1 770 . 1 1 66 66 GLY HA2 H 1 4.133 0 . 2 . . . . 66 GLY HA1 . 15659 1 771 . 1 1 66 66 GLY HA3 H 1 3.912 0 . 2 . . . . 66 GLY HA2 . 15659 1 772 . 1 1 66 66 GLY C C 13 174.615 0 . 1 . . . . 66 GLY C . 15659 1 773 . 1 1 66 66 GLY CA C 13 45.925 0 . 1 . . . . 66 GLY CA . 15659 1 774 . 1 1 66 66 GLY N N 15 99.445 0 . 1 . . . . 66 GLY N . 15659 1 775 . 1 1 67 67 ARG H H 1 7.478 0 . 1 . . . . 67 ARG HN . 15659 1 776 . 1 1 67 67 ARG HA H 1 4.659 0 . 1 . . . . 67 ARG HA . 15659 1 777 . 1 1 67 67 ARG HB2 H 1 2.084 0 . 2 . . . . 67 ARG HB1 . 15659 1 778 . 1 1 67 67 ARG HB3 H 1 1.901 0 . 2 . . . . 67 ARG HB2 . 15659 1 779 . 1 1 67 67 ARG HD2 H 1 3.271 0 . 2 . . . . 67 ARG HD1 . 15659 1 780 . 1 1 67 67 ARG HD3 H 1 3.291 0 . 2 . . . . 67 ARG HD2 . 15659 1 781 . 1 1 67 67 ARG HE H 1 7.366 0 . 1 . . . . 67 ARG HE . 15659 1 782 . 1 1 67 67 ARG HG2 H 1 1.785 0 . 2 . . . . 67 ARG HG1 . 15659 1 783 . 1 1 67 67 ARG HG3 H 1 1.785 0 . 2 . . . . 67 ARG HG2 . 15659 1 784 . 1 1 67 67 ARG C C 13 176.470 0 . 1 . . . . 67 ARG C . 15659 1 785 . 1 1 67 67 ARG CA C 13 55.647 0 . 1 . . . . 67 ARG CA . 15659 1 786 . 1 1 67 67 ARG CB C 13 31.843 0 . 1 . . . . 67 ARG CB . 15659 1 787 . 1 1 67 67 ARG CD C 13 43.819 0 . 1 . . . . 67 ARG CD . 15659 1 788 . 1 1 67 67 ARG CG C 13 27.462 0 . 1 . . . . 67 ARG CG . 15659 1 789 . 1 1 67 67 ARG CZ C 13 159.687 0 . 1 . . . . 67 ARG CZ . 15659 1 790 . 1 1 67 67 ARG N N 15 116.761 0 . 1 . . . . 67 ARG N . 15659 1 791 . 1 1 67 67 ARG NE N 15 85.094 0 . 1 . . . . 67 ARG NE . 15659 1 792 . 1 1 68 68 VAL H H 1 7.244 0 . 1 . . . . 68 VAL HN . 15659 1 793 . 1 1 68 68 VAL HA H 1 4.437 0 . 1 . . . . 68 VAL HA . 15659 1 794 . 1 1 68 68 VAL HB H 1 2.427 0 . 1 . . . . 68 VAL HB . 15659 1 795 . 1 1 68 68 VAL HG11 H 1 1.157 0 . 2 . . . . 68 VAL HG11 . 15659 1 796 . 1 1 68 68 VAL HG12 H 1 1.157 0 . 2 . . . . 68 VAL HG12 . 15659 1 797 . 1 1 68 68 VAL HG13 H 1 1.157 0 . 2 . . . . 68 VAL HG13 . 15659 1 798 . 1 1 68 68 VAL HG21 H 1 1.247 0 . 2 . . . . 68 VAL HG21 . 15659 1 799 . 1 1 68 68 VAL HG22 H 1 1.247 0 . 2 . . . . 68 VAL HG22 . 15659 1 800 . 1 1 68 68 VAL HG23 H 1 1.247 0 . 2 . . . . 68 VAL HG23 . 15659 1 801 . 1 1 68 68 VAL C C 13 175.250 0 . 1 . . . . 68 VAL C . 15659 1 802 . 1 1 68 68 VAL CA C 13 61.919 0 . 1 . . . . 68 VAL CA . 15659 1 803 . 1 1 68 68 VAL CB C 13 33.329 0 . 1 . . . . 68 VAL CB . 15659 1 804 . 1 1 68 68 VAL CG1 C 13 20.122 0 . 2 . . . . 68 VAL CG1 . 15659 1 805 . 1 1 68 68 VAL CG2 C 13 23.235 0 . 2 . . . . 68 VAL CG2 . 15659 1 806 . 1 1 68 68 VAL N N 15 114.725 0 . 1 . . . . 68 VAL N . 15659 1 807 . 1 1 69 69 ASP H H 1 9.180 0 . 1 . . . . 69 ASP HN . 15659 1 808 . 1 1 69 69 ASP HA H 1 5.272 0 . 1 . . . . 69 ASP HA . 15659 1 809 . 1 1 69 69 ASP HB2 H 1 3.023 0 . 2 . . . . 69 ASP HB1 . 15659 1 810 . 1 1 69 69 ASP HB3 H 1 2.890 0 . 2 . . . . 69 ASP HB2 . 15659 1 811 . 1 1 69 69 ASP C C 13 177.035 0 . 1 . . . . 69 ASP C . 15659 1 812 . 1 1 69 69 ASP CA C 13 55.862 0 . 1 . . . . 69 ASP CA . 15659 1 813 . 1 1 69 69 ASP CB C 13 44.421 0 . 1 . . . . 69 ASP CB . 15659 1 814 . 1 1 69 69 ASP N N 15 120.929 0 . 1 . . . . 69 ASP N . 15659 1 815 . 1 1 70 70 THR H H 1 7.490 0 . 1 . . . . 70 THR HN . 15659 1 816 . 1 1 70 70 THR HA H 1 4.969 0 . 1 . . . . 70 THR HA . 15659 1 817 . 1 1 70 70 THR HB H 1 4.638 0 . 1 . . . . 70 THR HB . 15659 1 818 . 1 1 70 70 THR HG21 H 1 1.100 0 . 1 . . . . 70 THR HG21 . 15659 1 819 . 1 1 70 70 THR HG22 H 1 1.100 0 . 1 . . . . 70 THR HG22 . 15659 1 820 . 1 1 70 70 THR HG23 H 1 1.100 0 . 1 . . . . 70 THR HG23 . 15659 1 821 . 1 1 70 70 THR CA C 13 57.776 0 . 1 . . . . 70 THR CA . 15659 1 822 . 1 1 70 70 THR CB C 13 71.416 0 . 1 . . . . 70 THR CB . 15659 1 823 . 1 1 70 70 THR CG2 C 13 21.715 0 . 1 . . . . 70 THR CG2 . 15659 1 824 . 1 1 70 70 THR N N 15 107.879 0 . 1 . . . . 70 THR N . 15659 1 825 . 1 1 71 71 PRO HA H 1 4.247 0 . 1 . . . . 71 PRO HA . 15659 1 826 . 1 1 71 71 PRO HB2 H 1 2.260 0 . 2 . . . . 71 PRO HB1 . 15659 1 827 . 1 1 71 71 PRO HB3 H 1 2.023 0 . 2 . . . . 71 PRO HB2 . 15659 1 828 . 1 1 71 71 PRO HD2 H 1 4.035 0 . 2 . . . . 71 PRO HD1 . 15659 1 829 . 1 1 71 71 PRO HD3 H 1 2.790 0 . 2 . . . . 71 PRO HD2 . 15659 1 830 . 1 1 71 71 PRO HG2 H 1 2.206 0 . 2 . . . . 71 PRO HG1 . 15659 1 831 . 1 1 71 71 PRO HG3 H 1 1.341 0 . 2 . . . . 71 PRO HG2 . 15659 1 832 . 1 1 71 71 PRO C C 13 177.413 0 . 1 . . . . 71 PRO C . 15659 1 833 . 1 1 71 71 PRO CA C 13 65.812 0 . 1 . . . . 71 PRO CA . 15659 1 834 . 1 1 71 71 PRO CB C 13 32.647 0 . 1 . . . . 71 PRO CB . 15659 1 835 . 1 1 71 71 PRO CD C 13 51.863 0 . 1 . . . . 71 PRO CD . 15659 1 836 . 1 1 71 71 PRO CG C 13 26.702 0 . 1 . . . . 71 PRO CG . 15659 1 837 . 1 1 72 72 ARG H H 1 9.000 0 . 1 . . . . 72 ARG HN . 15659 1 838 . 1 1 72 72 ARG HA H 1 3.619 0 . 1 . . . . 72 ARG HA . 15659 1 839 . 1 1 72 72 ARG HB2 H 1 1.875 0 . 2 . . . . 72 ARG HB1 . 15659 1 840 . 1 1 72 72 ARG HB3 H 1 1.618 0 . 2 . . . . 72 ARG HB2 . 15659 1 841 . 1 1 72 72 ARG HD2 H 1 3.509 0 . 2 . . . . 72 ARG HD1 . 15659 1 842 . 1 1 72 72 ARG HD3 H 1 3.026 0 . 2 . . . . 72 ARG HD2 . 15659 1 843 . 1 1 72 72 ARG HE H 1 9.075 0 . 1 . . . . 72 ARG HE . 15659 1 844 . 1 1 72 72 ARG HG2 H 1 1.675 0 . 2 . . . . 72 ARG HG1 . 15659 1 845 . 1 1 72 72 ARG HG3 H 1 1.524 0 . 2 . . . . 72 ARG HG2 . 15659 1 846 . 1 1 72 72 ARG HH11 H 1 6.907 0 . 2 . . . . 72 ARG HH11 . 15659 1 847 . 1 1 72 72 ARG HH12 H 1 6.907 0 . 2 . . . . 72 ARG HH12 . 15659 1 848 . 1 1 72 72 ARG HH21 H 1 6.907 0 . 2 . . . . 72 ARG HH21 . 15659 1 849 . 1 1 72 72 ARG HH22 H 1 6.907 0 . 2 . . . . 72 ARG HH22 . 15659 1 850 . 1 1 72 72 ARG C C 13 177.530 0 . 1 . . . . 72 ARG C . 15659 1 851 . 1 1 72 72 ARG CA C 13 60.211 0 . 1 . . . . 72 ARG CA . 15659 1 852 . 1 1 72 72 ARG CB C 13 30.433 0 . 1 . . . . 72 ARG CB . 15659 1 853 . 1 1 72 72 ARG CD C 13 42.916 0 . 1 . . . . 72 ARG CD . 15659 1 854 . 1 1 72 72 ARG CG C 13 27.614 0 . 1 . . . . 72 ARG CG . 15659 1 855 . 1 1 72 72 ARG CZ C 13 159.425 0 . 1 . . . . 72 ARG CZ . 15659 1 856 . 1 1 72 72 ARG N N 15 117.747 0 . 1 . . . . 72 ARG N . 15659 1 857 . 1 1 72 72 ARG NE N 15 83.507 0 . 1 . . . . 72 ARG NE . 15659 1 858 . 1 1 72 72 ARG NH1 N 15 71.208 0 . 2 . . . . 72 ARG NH1 . 15659 1 859 . 1 1 72 72 ARG NH2 N 15 71.208 0 . 2 . . . . 72 ARG NH2 . 15659 1 860 . 1 1 73 73 GLU H H 1 7.840 0 . 1 . . . . 73 GLU HN . 15659 1 861 . 1 1 73 73 GLU HA H 1 4.245 0 . 1 . . . . 73 GLU HA . 15659 1 862 . 1 1 73 73 GLU HB2 H 1 2.478 0 . 2 . . . . 73 GLU HB1 . 15659 1 863 . 1 1 73 73 GLU HB3 H 1 2.287 0 . 2 . . . . 73 GLU HB2 . 15659 1 864 . 1 1 73 73 GLU HG2 H 1 2.657 0 . 2 . . . . 73 GLU HG1 . 15659 1 865 . 1 1 73 73 GLU HG3 H 1 2.484 0 . 2 . . . . 73 GLU HG2 . 15659 1 866 . 1 1 73 73 GLU C C 13 180.139 0 . 1 . . . . 73 GLU C . 15659 1 867 . 1 1 73 73 GLU CA C 13 59.071 0 . 1 . . . . 73 GLU CA . 15659 1 868 . 1 1 73 73 GLU CB C 13 30.230 0 . 1 . . . . 73 GLU CB . 15659 1 869 . 1 1 73 73 GLU CG C 13 36.646 0 . 1 . . . . 73 GLU CG . 15659 1 870 . 1 1 73 73 GLU N N 15 116.639 0 . 1 . . . . 73 GLU N . 15659 1 871 . 1 1 74 74 LEU H H 1 7.693 0 . 1 . . . . 74 LEU HN . 15659 1 872 . 1 1 74 74 LEU HA H 1 4.324 0 . 1 . . . . 74 LEU HA . 15659 1 873 . 1 1 74 74 LEU HB2 H 1 2.433 0 . 2 . . . . 74 LEU HB1 . 15659 1 874 . 1 1 74 74 LEU HB3 H 1 1.718 0 . 2 . . . . 74 LEU HB2 . 15659 1 875 . 1 1 74 74 LEU HD11 H 1 1.078 0 . 2 . . . . 74 LEU HD11 . 15659 1 876 . 1 1 74 74 LEU HD12 H 1 1.078 0 . 2 . . . . 74 LEU HD12 . 15659 1 877 . 1 1 74 74 LEU HD13 H 1 1.078 0 . 2 . . . . 74 LEU HD13 . 15659 1 878 . 1 1 74 74 LEU HD21 H 1 1.078 0 . 2 . . . . 74 LEU HD21 . 15659 1 879 . 1 1 74 74 LEU HD22 H 1 1.078 0 . 2 . . . . 74 LEU HD22 . 15659 1 880 . 1 1 74 74 LEU HD23 H 1 1.078 0 . 2 . . . . 74 LEU HD23 . 15659 1 881 . 1 1 74 74 LEU HG H 1 0.995 0 . 1 . . . . 74 LEU HG . 15659 1 882 . 1 1 74 74 LEU C C 13 177.000 0 . 1 . . . . 74 LEU C . 15659 1 883 . 1 1 74 74 LEU CA C 13 58.123 0 . 1 . . . . 74 LEU CA . 15659 1 884 . 1 1 74 74 LEU CB C 13 42.242 0 . 1 . . . . 74 LEU CB . 15659 1 885 . 1 1 74 74 LEU CD1 C 13 22.444 0 . 2 . . . . 74 LEU CD1 . 15659 1 886 . 1 1 74 74 LEU CD2 C 13 22.444 0 . 2 . . . . 74 LEU CD2 . 15659 1 887 . 1 1 74 74 LEU CG C 13 26.291 0 . 1 . . . . 74 LEU CG . 15659 1 888 . 1 1 74 74 LEU N N 15 120.218 0 . 1 . . . . 74 LEU N . 15659 1 889 . 1 1 75 75 LEU H H 1 8.731 0 . 1 . . . . 75 LEU HN . 15659 1 890 . 1 1 75 75 LEU HA H 1 3.904 0 . 1 . . . . 75 LEU HA . 15659 1 891 . 1 1 75 75 LEU HB2 H 1 2.211 0 . 2 . . . . 75 LEU HB1 . 15659 1 892 . 1 1 75 75 LEU HB3 H 1 1.554 0 . 2 . . . . 75 LEU HB2 . 15659 1 893 . 1 1 75 75 LEU HD11 H 1 0.806 0 . 2 . . . . 75 LEU HD11 . 15659 1 894 . 1 1 75 75 LEU HD12 H 1 0.806 0 . 2 . . . . 75 LEU HD12 . 15659 1 895 . 1 1 75 75 LEU HD13 H 1 0.806 0 . 2 . . . . 75 LEU HD13 . 15659 1 896 . 1 1 75 75 LEU HD21 H 1 0.890 0 . 2 . . . . 75 LEU HD21 . 15659 1 897 . 1 1 75 75 LEU HD22 H 1 0.890 0 . 2 . . . . 75 LEU HD22 . 15659 1 898 . 1 1 75 75 LEU HD23 H 1 0.890 0 . 2 . . . . 75 LEU HD23 . 15659 1 899 . 1 1 75 75 LEU HG H 1 1.705 0 . 1 . . . . 75 LEU HG . 15659 1 900 . 1 1 75 75 LEU C C 13 178.122 0 . 1 . . . . 75 LEU C . 15659 1 901 . 1 1 75 75 LEU CA C 13 58.462 0 . 1 . . . . 75 LEU CA . 15659 1 902 . 1 1 75 75 LEU CB C 13 42.400 0 . 1 . . . . 75 LEU CB . 15659 1 903 . 1 1 75 75 LEU CD1 C 13 24.812 0 . 2 . . . . 75 LEU CD1 . 15659 1 904 . 1 1 75 75 LEU CD2 C 13 26.501 0 . 2 . . . . 75 LEU CD2 . 15659 1 905 . 1 1 75 75 LEU CG C 13 26.548 0 . 1 . . . . 75 LEU CG . 15659 1 906 . 1 1 75 75 LEU N N 15 121.211 0 . 1 . . . . 75 LEU N . 15659 1 907 . 1 1 76 76 ASP H H 1 8.703 0 . 1 . . . . 76 ASP HN . 15659 1 908 . 1 1 76 76 ASP HA H 1 4.497 0 . 1 . . . . 76 ASP HA . 15659 1 909 . 1 1 76 76 ASP HB2 H 1 2.787 0 . 2 . . . . 76 ASP HB1 . 15659 1 910 . 1 1 76 76 ASP HB3 H 1 2.724 0 . 2 . . . . 76 ASP HB2 . 15659 1 911 . 1 1 76 76 ASP C C 13 180.101 0 . 1 . . . . 76 ASP C . 15659 1 912 . 1 1 76 76 ASP CA C 13 57.325 0 . 1 . . . . 76 ASP CA . 15659 1 913 . 1 1 76 76 ASP CB C 13 39.936 0 . 1 . . . . 76 ASP CB . 15659 1 914 . 1 1 76 76 ASP N N 15 117.466 0 . 1 . . . . 76 ASP N . 15659 1 915 . 1 1 77 77 LEU H H 1 8.019 0 . 1 . . . . 77 LEU HN . 15659 1 916 . 1 1 77 77 LEU HA H 1 4.282 0 . 1 . . . . 77 LEU HA . 15659 1 917 . 1 1 77 77 LEU HB2 H 1 2.048 0 . 2 . . . . 77 LEU HB1 . 15659 1 918 . 1 1 77 77 LEU HB3 H 1 1.916 0 . 2 . . . . 77 LEU HB2 . 15659 1 919 . 1 1 77 77 LEU HD11 H 1 0.970 0 . 2 . . . . 77 LEU HD11 . 15659 1 920 . 1 1 77 77 LEU HD12 H 1 0.970 0 . 2 . . . . 77 LEU HD12 . 15659 1 921 . 1 1 77 77 LEU HD13 H 1 0.970 0 . 2 . . . . 77 LEU HD13 . 15659 1 922 . 1 1 77 77 LEU HD21 H 1 0.970 0 . 2 . . . . 77 LEU HD21 . 15659 1 923 . 1 1 77 77 LEU HD22 H 1 0.970 0 . 2 . . . . 77 LEU HD22 . 15659 1 924 . 1 1 77 77 LEU HD23 H 1 0.970 0 . 2 . . . . 77 LEU HD23 . 15659 1 925 . 1 1 77 77 LEU HG H 1 1.838 0 . 1 . . . . 77 LEU HG . 15659 1 926 . 1 1 77 77 LEU C C 13 179.840 0 . 1 . . . . 77 LEU C . 15659 1 927 . 1 1 77 77 LEU CA C 13 58.417 0 . 1 . . . . 77 LEU CA . 15659 1 928 . 1 1 77 77 LEU CB C 13 42.856 0 . 1 . . . . 77 LEU CB . 15659 1 929 . 1 1 77 77 LEU CD1 C 13 25.149 0 . 2 . . . . 77 LEU CD1 . 15659 1 930 . 1 1 77 77 LEU CD2 C 13 25.149 0 . 2 . . . . 77 LEU CD2 . 15659 1 931 . 1 1 77 77 LEU CG C 13 27.078 0 . 1 . . . . 77 LEU CG . 15659 1 932 . 1 1 77 77 LEU N N 15 122.891 0 . 1 . . . . 77 LEU N . 15659 1 933 . 1 1 78 78 ILE H H 1 8.281 0 . 1 . . . . 78 ILE HN . 15659 1 934 . 1 1 78 78 ILE HA H 1 3.756 0 . 1 . . . . 78 ILE HA . 15659 1 935 . 1 1 78 78 ILE HB H 1 1.952 0 . 1 . . . . 78 ILE HB . 15659 1 936 . 1 1 78 78 ILE HD11 H 1 0.807 0 . 1 . . . . 78 ILE HD11 . 15659 1 937 . 1 1 78 78 ILE HD12 H 1 0.807 0 . 1 . . . . 78 ILE HD12 . 15659 1 938 . 1 1 78 78 ILE HD13 H 1 0.807 0 . 1 . . . . 78 ILE HD13 . 15659 1 939 . 1 1 78 78 ILE HG12 H 1 1.728 0 . 2 . . . . 78 ILE HG11 . 15659 1 940 . 1 1 78 78 ILE HG13 H 1 1.306 0 . 2 . . . . 78 ILE HG12 . 15659 1 941 . 1 1 78 78 ILE HG21 H 1 0.875 0 . 1 . . . . 78 ILE HG21 . 15659 1 942 . 1 1 78 78 ILE HG22 H 1 0.875 0 . 1 . . . . 78 ILE HG22 . 15659 1 943 . 1 1 78 78 ILE HG23 H 1 0.875 0 . 1 . . . . 78 ILE HG23 . 15659 1 944 . 1 1 78 78 ILE C C 13 177.655 0 . 1 . . . . 78 ILE C . 15659 1 945 . 1 1 78 78 ILE CA C 13 64.638 0 . 1 . . . . 78 ILE CA . 15659 1 946 . 1 1 78 78 ILE CB C 13 37.325 0 . 1 . . . . 78 ILE CB . 15659 1 947 . 1 1 78 78 ILE CD1 C 13 13.323 0 . 1 . . . . 78 ILE CD1 . 15659 1 948 . 1 1 78 78 ILE CG1 C 13 28.888 0 . 1 . . . . 78 ILE CG1 . 15659 1 949 . 1 1 78 78 ILE CG2 C 13 17.445 0 . 1 . . . . 78 ILE CG2 . 15659 1 950 . 1 1 78 78 ILE N N 15 119.758 0 . 1 . . . . 78 ILE N . 15659 1 951 . 1 1 79 79 ASN H H 1 8.880 0 . 1 . . . . 79 ASN HN . 15659 1 952 . 1 1 79 79 ASN HA H 1 4.918 0 . 1 . . . . 79 ASN HA . 15659 1 953 . 1 1 79 79 ASN HB2 H 1 3.098 0 . 2 . . . . 79 ASN HB1 . 15659 1 954 . 1 1 79 79 ASN HB3 H 1 2.781 0 . 2 . . . . 79 ASN HB2 . 15659 1 955 . 1 1 79 79 ASN HD21 H 1 7.327 0 . 2 . . . . 79 ASN HD21 . 15659 1 956 . 1 1 79 79 ASN HD22 H 1 7.668 0 . 2 . . . . 79 ASN HD22 . 15659 1 957 . 1 1 79 79 ASN C C 13 179.481 0 . 1 . . . . 79 ASN C . 15659 1 958 . 1 1 79 79 ASN CA C 13 55.446 0 . 1 . . . . 79 ASN CA . 15659 1 959 . 1 1 79 79 ASN CB C 13 37.299 0 . 1 . . . . 79 ASN CB . 15659 1 960 . 1 1 79 79 ASN N N 15 117.848 0 . 1 . . . . 79 ASN N . 15659 1 961 . 1 1 79 79 ASN ND2 N 15 107.781 0 . 1 . . . . 79 ASN ND2 . 15659 1 962 . 1 1 80 80 GLY H H 1 8.441 0 . 1 . . . . 80 GLY HN . 15659 1 963 . 1 1 80 80 GLY HA2 H 1 4.036 0 . 2 . . . . 80 GLY HA1 . 15659 1 964 . 1 1 80 80 GLY HA3 H 1 4.036 0 . 2 . . . . 80 GLY HA2 . 15659 1 965 . 1 1 80 80 GLY C C 13 175.746 0 . 1 . . . . 80 GLY C . 15659 1 966 . 1 1 80 80 GLY CA C 13 47.065 0 . 1 . . . . 80 GLY CA . 15659 1 967 . 1 1 80 80 GLY N N 15 110.120 0 . 1 . . . . 80 GLY N . 15659 1 968 . 1 1 81 81 ALA H H 1 7.604 0 . 1 . . . . 81 ALA HN . 15659 1 969 . 1 1 81 81 ALA HA H 1 4.467 0 . 1 . . . . 81 ALA HA . 15659 1 970 . 1 1 81 81 ALA HB1 H 1 1.641 0 . 1 . . . . 81 ALA HB1 . 15659 1 971 . 1 1 81 81 ALA HB2 H 1 1.641 0 . 1 . . . . 81 ALA HB2 . 15659 1 972 . 1 1 81 81 ALA HB3 H 1 1.641 0 . 1 . . . . 81 ALA HB3 . 15659 1 973 . 1 1 81 81 ALA C C 13 180.565 0 . 1 . . . . 81 ALA C . 15659 1 974 . 1 1 81 81 ALA CA C 13 54.298 0 . 1 . . . . 81 ALA CA . 15659 1 975 . 1 1 81 81 ALA CB C 13 18.530 0 . 1 . . . . 81 ALA CB . 15659 1 976 . 1 1 81 81 ALA N N 15 124.070 0 . 1 . . . . 81 ALA N . 15659 1 977 . 1 1 82 82 LEU H H 1 8.299 0 . 1 . . . . 82 LEU HN . 15659 1 978 . 1 1 82 82 LEU HA H 1 4.219 0 . 1 . . . . 82 LEU HA . 15659 1 979 . 1 1 82 82 LEU HB2 H 1 2.027 0 . 2 . . . . 82 LEU HB1 . 15659 1 980 . 1 1 82 82 LEU HB3 H 1 1.574 0 . 2 . . . . 82 LEU HB2 . 15659 1 981 . 1 1 82 82 LEU HD11 H 1 0.990 0 . 2 . . . . 82 LEU HD11 . 15659 1 982 . 1 1 82 82 LEU HD12 H 1 0.990 0 . 2 . . . . 82 LEU HD12 . 15659 1 983 . 1 1 82 82 LEU HD13 H 1 0.990 0 . 2 . . . . 82 LEU HD13 . 15659 1 984 . 1 1 82 82 LEU HD21 H 1 0.996 0 . 2 . . . . 82 LEU HD21 . 15659 1 985 . 1 1 82 82 LEU HD22 H 1 0.996 0 . 2 . . . . 82 LEU HD22 . 15659 1 986 . 1 1 82 82 LEU HD23 H 1 0.996 0 . 2 . . . . 82 LEU HD23 . 15659 1 987 . 1 1 82 82 LEU HG H 1 1.853 0 . 1 . . . . 82 LEU HG . 15659 1 988 . 1 1 82 82 LEU C C 13 178.837 0 . 1 . . . . 82 LEU C . 15659 1 989 . 1 1 82 82 LEU CA C 13 56.967 0 . 1 . . . . 82 LEU CA . 15659 1 990 . 1 1 82 82 LEU CB C 13 42.610 0 . 1 . . . . 82 LEU CB . 15659 1 991 . 1 1 82 82 LEU CD1 C 13 26.011 0 . 2 . . . . 82 LEU CD1 . 15659 1 992 . 1 1 82 82 LEU CD2 C 13 23.880 0 . 2 . . . . 82 LEU CD2 . 15659 1 993 . 1 1 82 82 LEU CG C 13 27.148 0 . 1 . . . . 82 LEU CG . 15659 1 994 . 1 1 82 82 LEU N N 15 119.823 0 . 1 . . . . 82 LEU N . 15659 1 995 . 1 1 83 83 ALA H H 1 7.964 0 . 1 . . . . 83 ALA HN . 15659 1 996 . 1 1 83 83 ALA HA H 1 4.298 0 . 1 . . . . 83 ALA HA . 15659 1 997 . 1 1 83 83 ALA HB1 H 1 1.620 0 . 1 . . . . 83 ALA HB1 . 15659 1 998 . 1 1 83 83 ALA HB2 H 1 1.620 0 . 1 . . . . 83 ALA HB2 . 15659 1 999 . 1 1 83 83 ALA HB3 H 1 1.620 0 . 1 . . . . 83 ALA HB3 . 15659 1 1000 . 1 1 83 83 ALA C C 13 178.739 0 . 1 . . . . 83 ALA C . 15659 1 1001 . 1 1 83 83 ALA CA C 13 53.965 0 . 1 . . . . 83 ALA CA . 15659 1 1002 . 1 1 83 83 ALA CB C 13 18.917 0 . 1 . . . . 83 ALA CB . 15659 1 1003 . 1 1 83 83 ALA N N 15 121.306 0 . 1 . . . . 83 ALA N . 15659 1 1004 . 1 1 84 84 GLU H H 1 7.746 0 . 1 . . . . 84 GLU HN . 15659 1 1005 . 1 1 84 84 GLU HA H 1 4.396 0 . 1 . . . . 84 GLU HA . 15659 1 1006 . 1 1 84 84 GLU HB2 H 1 2.284 0 . 2 . . . . 84 GLU HB1 . 15659 1 1007 . 1 1 84 84 GLU HB3 H 1 2.141 0 . 2 . . . . 84 GLU HB2 . 15659 1 1008 . 1 1 84 84 GLU HG2 H 1 2.474 0 . 2 . . . . 84 GLU HG1 . 15659 1 1009 . 1 1 84 84 GLU HG3 H 1 2.540 0 . 2 . . . . 84 GLU HG2 . 15659 1 1010 . 1 1 84 84 GLU C C 13 176.347 0 . 1 . . . . 84 GLU C . 15659 1 1011 . 1 1 84 84 GLU CA C 13 56.739 0 . 1 . . . . 84 GLU CA . 15659 1 1012 . 1 1 84 84 GLU CB C 13 30.126 0 . 1 . . . . 84 GLU CB . 15659 1 1013 . 1 1 84 84 GLU CG C 13 35.968 0 . 1 . . . . 84 GLU CG . 15659 1 1014 . 1 1 84 84 GLU N N 15 117.080 0 . 1 . . . . 84 GLU N . 15659 1 1015 . 1 1 85 85 ALA H H 1 7.832 0 . 1 . . . . 85 ALA HN . 15659 1 1016 . 1 1 85 85 ALA HA H 1 4.485 0 . 1 . . . . 85 ALA HA . 15659 1 1017 . 1 1 85 85 ALA HB1 H 1 1.585 0 . 1 . . . . 85 ALA HB1 . 15659 1 1018 . 1 1 85 85 ALA HB2 H 1 1.585 0 . 1 . . . . 85 ALA HB2 . 15659 1 1019 . 1 1 85 85 ALA HB3 H 1 1.585 0 . 1 . . . . 85 ALA HB3 . 15659 1 1020 . 1 1 85 85 ALA C C 13 176.564 0 . 1 . . . . 85 ALA C . 15659 1 1021 . 1 1 85 85 ALA CA C 13 52.485 0 . 1 . . . . 85 ALA CA . 15659 1 1022 . 1 1 85 85 ALA CB C 13 19.529 0 . 1 . . . . 85 ALA CB . 15659 1 1023 . 1 1 85 85 ALA N N 15 124.010 0 . 1 . . . . 85 ALA N . 15659 1 1024 . 1 1 86 86 ALA H H 1 7.951 0 . 1 . . . . 86 ALA HN . 15659 1 1025 . 1 1 86 86 ALA HA H 1 4.235 0 . 1 . . . . 86 ALA HA . 15659 1 1026 . 1 1 86 86 ALA HB1 H 1 1.496 0 . 1 . . . . 86 ALA HB1 . 15659 1 1027 . 1 1 86 86 ALA HB2 H 1 1.496 0 . 1 . . . . 86 ALA HB2 . 15659 1 1028 . 1 1 86 86 ALA HB3 H 1 1.496 0 . 1 . . . . 86 ALA HB3 . 15659 1 1029 . 1 1 86 86 ALA CA C 13 54.184 0 . 1 . . . . 86 ALA CA . 15659 1 1030 . 1 1 86 86 ALA CB C 13 20.109 0 . 1 . . . . 86 ALA CB . 15659 1 1031 . 1 1 86 86 ALA N N 15 129.038 0 . 1 . . . . 86 ALA N . 15659 1 stop_ save_