data_25284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25284 _Entry.Title ; Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-15 _Entry.Accession_date 2014-10-15 _Entry.Last_release_date 2015-10-19 _Entry.Original_release_date 2015-10-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xu Dong . . . 25284 2 Christopher Bailey . . . 25284 3 Christopher Williams . . . 25284 4 John Crosby . . . 25284 5 Thomas Simpson . J. . 25284 6 Christine Willis . L. . 25284 7 Matthew Crump . P. . 25284 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' . 25284 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ACP . 25284 Actinorhodin . 25284 'biosynthetic intermediates' . 25284 'ligand recognition' . 25284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 25284 '15N chemical shifts' 86 25284 '1H chemical shifts' 573 25284 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-19 . original BMRB . 25284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25287 '5-phenyl-3-oxo-pentyl Actinorhodin Acyl Carrier Protein' 25284 PDB 2MVU 'BMRB Entry Tracking System' 25284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25284 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Org. Biomol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Xu Dong . . . 25284 1 2 Christopher Bailey . . . 25284 1 3 Christopher Williams . . . 25284 1 4 John Crosby . . . 25284 1 5 Thomas Simpson . J. . 25284 1 6 Christine Willis . L. . 25284 1 7 Matthew Crump . P. . 25284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25284 _Assembly.ID 1 _Assembly.Name '3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 $entity A . yes native no no . . . 25284 1 2 SDO 2 $entity_SDO B . yes native no no . . . 25284 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 SER 42 42 OG . 2 . 2 SDO 1 1 P24 . . . . . . . . . . 25284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 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 "The 42nd residue is attached to SDO, an early stage polyketide mimic-4'-phosphopantetheine" _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9133.160 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'SDO is 3,7-dioxo-octyl ester; early stage polyketide mimic covalently bound to the Streptomyces coelicolor actinorhodin ACP.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15658 . act_holo-acp . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 2 no BMRB 15659 . act_ACP . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 3 no BMRB 16196 . "acetyl Actinorhodin Acyl Carrier" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 4 no BMRB 16197 . "malonyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 5 no BMRB 16199 . butyryl-ACP . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 6 no BMRB 16200 . "hexanoyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 7 no BMRB 16201 . "octanoyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 8 no BMRB 16202 . 3-oxo-butyl-ACP . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 9 no BMRB 16203 . "3,5-dioxohexyl ACP" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 10 no BMRB 25287 . entity . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 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 . . . . 25284 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 . . . . 25284 1 13 no PDB 2K0X . "The Actinorhodin Holo Acyl Carrier Protein From S. Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 1 14 no PDB 2K0Y . "The Actinorhodin Apo Acyl Carrier Protein From S. Coelicolor" . . . . . 100.00 86 100.00 100.00 1.20e-49 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 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 . . . . 25284 1 24 no EMBL CAA45045 . "Acyl carrier protein [Streptomyces coelicolor A3(2)]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 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 . . . . 25284 1 26 no GB AIJ13577 . "actinorhodin polyketide synthase ACP [Streptomyces lividans TK24]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 1 27 no GB EFD66960 . "acyl carrier protein [Streptomyces lividans TK24]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 1 28 no GB EOY50075 . "Acyl carrier protein [Streptomyces lividans 1326]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 1 29 no GB KKD13304 . "actinorhodin polyketide synthase acyl carrier protein [Streptomyces sp. WM6391]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 1 30 no REF NP_629239 . "actinorhodin polyketide synthase ACP [Streptomyces coelicolor A3(2)]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 1 31 no REF WP_003973889 . "MULTISPECIES: actinorhodin polyketide synthase [Streptomyces]" . . . . . 100.00 86 98.84 98.84 4.90e-49 . . . . 25284 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 . . . . 25284 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 . 25284 1 2 . ALA . 25284 1 3 . THR . 25284 1 4 . LEU . 25284 1 5 . LEU . 25284 1 6 . THR . 25284 1 7 . THR . 25284 1 8 . ASP . 25284 1 9 . ASP . 25284 1 10 . LEU . 25284 1 11 . ARG . 25284 1 12 . ARG . 25284 1 13 . ALA . 25284 1 14 . LEU . 25284 1 15 . VAL . 25284 1 16 . GLU . 25284 1 17 . SER . 25284 1 18 . ALA . 25284 1 19 . GLY . 25284 1 20 . GLU . 25284 1 21 . THR . 25284 1 22 . ASP . 25284 1 23 . GLY . 25284 1 24 . THR . 25284 1 25 . ASP . 25284 1 26 . LEU . 25284 1 27 . SER . 25284 1 28 . GLY . 25284 1 29 . ASP . 25284 1 30 . PHE . 25284 1 31 . LEU . 25284 1 32 . ASP . 25284 1 33 . LEU . 25284 1 34 . ARG . 25284 1 35 . PHE . 25284 1 36 . GLU . 25284 1 37 . ASP . 25284 1 38 . ILE . 25284 1 39 . GLY . 25284 1 40 . TYR . 25284 1 41 . ASP . 25284 1 42 . SER . 25284 1 43 . LEU . 25284 1 44 . ALA . 25284 1 45 . LEU . 25284 1 46 . MET . 25284 1 47 . GLU . 25284 1 48 . THR . 25284 1 49 . ALA . 25284 1 50 . ALA . 25284 1 51 . ARG . 25284 1 52 . LEU . 25284 1 53 . GLU . 25284 1 54 . SER . 25284 1 55 . ARG . 25284 1 56 . TYR . 25284 1 57 . GLY . 25284 1 58 . VAL . 25284 1 59 . SER . 25284 1 60 . ILE . 25284 1 61 . PRO . 25284 1 62 . ASP . 25284 1 63 . ASP . 25284 1 64 . VAL . 25284 1 65 . ALA . 25284 1 66 . GLY . 25284 1 67 . ARG . 25284 1 68 . VAL . 25284 1 69 . ASP . 25284 1 70 . THR . 25284 1 71 . PRO . 25284 1 72 . ARG . 25284 1 73 . GLU . 25284 1 74 . LEU . 25284 1 75 . LEU . 25284 1 76 . ASP . 25284 1 77 . LEU . 25284 1 78 . ILE . 25284 1 79 . ASN . 25284 1 80 . GLY . 25284 1 81 . ALA . 25284 1 82 . LEU . 25284 1 83 . ALA . 25284 1 84 . GLU . 25284 1 85 . ALA . 25284 1 86 . ALA . 25284 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 25284 1 . ALA 2 2 25284 1 . THR 3 3 25284 1 . LEU 4 4 25284 1 . LEU 5 5 25284 1 . THR 6 6 25284 1 . THR 7 7 25284 1 . ASP 8 8 25284 1 . ASP 9 9 25284 1 . LEU 10 10 25284 1 . ARG 11 11 25284 1 . ARG 12 12 25284 1 . ALA 13 13 25284 1 . LEU 14 14 25284 1 . VAL 15 15 25284 1 . GLU 16 16 25284 1 . SER 17 17 25284 1 . ALA 18 18 25284 1 . GLY 19 19 25284 1 . GLU 20 20 25284 1 . THR 21 21 25284 1 . ASP 22 22 25284 1 . GLY 23 23 25284 1 . THR 24 24 25284 1 . ASP 25 25 25284 1 . LEU 26 26 25284 1 . SER 27 27 25284 1 . GLY 28 28 25284 1 . ASP 29 29 25284 1 . PHE 30 30 25284 1 . LEU 31 31 25284 1 . ASP 32 32 25284 1 . LEU 33 33 25284 1 . ARG 34 34 25284 1 . PHE 35 35 25284 1 . GLU 36 36 25284 1 . ASP 37 37 25284 1 . ILE 38 38 25284 1 . GLY 39 39 25284 1 . TYR 40 40 25284 1 . ASP 41 41 25284 1 . SER 42 42 25284 1 . LEU 43 43 25284 1 . ALA 44 44 25284 1 . LEU 45 45 25284 1 . MET 46 46 25284 1 . GLU 47 47 25284 1 . THR 48 48 25284 1 . ALA 49 49 25284 1 . ALA 50 50 25284 1 . ARG 51 51 25284 1 . LEU 52 52 25284 1 . GLU 53 53 25284 1 . SER 54 54 25284 1 . ARG 55 55 25284 1 . TYR 56 56 25284 1 . GLY 57 57 25284 1 . VAL 58 58 25284 1 . SER 59 59 25284 1 . ILE 60 60 25284 1 . PRO 61 61 25284 1 . ASP 62 62 25284 1 . ASP 63 63 25284 1 . VAL 64 64 25284 1 . ALA 65 65 25284 1 . GLY 66 66 25284 1 . ARG 67 67 25284 1 . VAL 68 68 25284 1 . ASP 69 69 25284 1 . THR 70 70 25284 1 . PRO 71 71 25284 1 . ARG 72 72 25284 1 . GLU 73 73 25284 1 . LEU 74 74 25284 1 . LEU 75 75 25284 1 . ASP 76 76 25284 1 . LEU 77 77 25284 1 . ILE 78 78 25284 1 . ASN 79 79 25284 1 . GLY 80 80 25284 1 . ALA 81 81 25284 1 . LEU 82 82 25284 1 . ALA 83 83 25284 1 . GLU 84 84 25284 1 . ALA 85 85 25284 1 . ALA 86 86 25284 1 stop_ save_ save_entity_SDO _Entity.Sf_category entity _Entity.Sf_framecode entity_SDO _Entity.Entry_ID 25284 _Entity.ID 2 _Entity.BMRB_code SDO _Entity.Name entity_SDO _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID SDO _Entity.Nonpolymer_comp_label $chem_comp_SDO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 482.529 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide BMRB 25284 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide BMRB 25284 2 SDO 'Three letter code' 25284 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SDO $chem_comp_SDO 25284 2 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 25284 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1902 organism . 'Streptomyces coelicolor' 'Streptomyces coelicolor' . . Bacteria . Streptomyces coelicolor A3(2) . . . . . . . . . . 'Actinorhodin Acyl Carrier protein' . 25284 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 25284 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . 'pET 11c' . . 'C17S mutation' 25284 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SDO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SDO _Chem_comp.Entry_ID 25284 _Chem_comp.ID SDO _Chem_comp.Provenance PDB _Chem_comp.Name N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code SDO _Chem_comp.PDB_code SDO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-10-17 _Chem_comp.Modified_date 2014-10-17 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SDO _Chem_comp.Number_atoms_all 66 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C19 H35 N2 O8 P S' _Chem_comp.Formula_weight 482.529 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2MVU _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 25284 SDO CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(O)O SMILES_CANONICAL CACTVS 3.385 25284 SDO CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 25284 SDO CC(=O)CCCC(=O)CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)COP(O)O SMILES CACTVS 3.385 25284 SDO ; InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1 ; InChI InChI 1.03 25284 SDO O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O SMILES ACDLabs 12.01 25284 SDO TUVOCCHXVSLSRA-QGZVFWFLSA-N InChIKey InChI 1.03 25284 SDO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide 'SYSTEMATIC NAME' ACDLabs 12.01 25284 SDO ; [(3S)-4-[[3-[2-[3,7-bis(oxidanylidene)octylsulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphite ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 25284 SDO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P24 P24 P24 P24 . P . . N 0 . . . 1 no no . . . . -11.348 . 9.561 . -2.752 . -8.152 2.740 0.938 1 . 25284 SDO O26 O26 O26 O26 . O . . N 0 . . . 1 no no . . . . -12.261 . 10.314 . -1.748 . -6.695 3.351 1.244 2 . 25284 SDO O23 O23 O23 O23 . O . . N 0 . . . 1 no no . . . . -12.026 . 8.855 . -3.959 . -8.861 3.945 0.141 3 . 25284 SDO O27 O27 O27 O27 . O . . N 0 . . . 1 no no . . . . -10.316 . 10.571 . -3.317 . -7.836 1.696 -0.246 4 . 25284 SDO C28 C28 C28 C28 . C . . N 0 . . . 1 no no . . . . -9.469 . 11.301 . -2.372 . -7.486 0.331 -0.008 5 . 25284 SDO C29 C29 C29 C29 . C . . N 0 . . . 1 no no . . . . -8.385 . 12.106 . -3.106 . -7.253 -0.376 -1.345 6 . 25284 SDO C30 C30 C30 C30 . C . . N 0 . . . 1 no no . . . . -7.596 . 12.857 . -2.056 . -8.530 -0.316 -2.184 7 . 25284 SDO C31 C31 C31 C31 . C . . N 0 . . . 1 no no . . . . -7.455 . 11.138 . -3.844 . -6.115 0.318 -2.097 8 . 25284 SDO C32 C32 C32 C32 . C . . S 0 . . . 1 no no . . . . -8.986 . 13.133 . -4.166 . -6.879 -1.838 -1.090 9 . 25284 SDO O33 O33 O33 O33 . O . . N 0 . . . 1 no no . . . . -7.917 . 13.820 . -4.817 . -7.990 -2.519 -0.503 10 . 25284 SDO C34 C34 C34 C34 . C . . N 0 . . . 1 no no . . . . -9.879 . 14.213 . -3.521 . -5.701 -1.899 -0.152 11 . 25284 SDO O35 O35 O35 O35 . O . . N 0 . . . 1 no no . . . . -9.518 . 15.395 . -3.549 . -5.855 -2.268 0.993 12 . 25284 SDO N36 N36 N36 N36 . N . . N 0 . . . 1 no no . . . . -10.996 . 13.837 . -2.949 . -4.475 -1.543 -0.586 13 . 25284 SDO C37 C37 C37 C37 . C . . N 0 . . . 1 no no . . . . -11.937 . 14.753 . -2.304 . -3.312 -1.708 0.289 14 . 25284 SDO C38 C38 C38 C38 . C . . N 0 . . . 1 no no . . . . -12.437 . 14.252 . -0.941 . -2.053 -1.232 -0.439 15 . 25284 SDO C39 C39 C39 C39 . C . . N 0 . . . 1 no no . . . . -11.438 . 14.422 . 0.214 . -0.857 -1.403 0.461 16 . 25284 SDO O40 O40 O40 O40 . O . . N 0 . . . 1 no no . . . . -11.706 . 14.030 . 1.348 . -0.997 -1.860 1.576 17 . 25284 SDO N41 N41 N41 N41 . N . . N 0 . . . 1 no no . . . . -10.287 . 15.009 . -0.092 . 0.369 -1.047 0.027 18 . 25284 SDO C42 C42 C42 C42 . C . . N 0 . . . 1 no no . . . . -9.225 . 15.253 . 0.869 . 1.532 -1.212 0.902 19 . 25284 SDO C43 C43 C43 C43 . C . . N 0 . . . 1 no no . . . . -8.105 . 16.086 . 0.291 . 2.790 -0.736 0.174 20 . 25284 SDO S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . -6.521 . 16.186 . 1.181 . 4.230 -0.941 1.257 21 . 25284 SDO C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -6.401 . 15.248 . 2.737 . 5.600 -0.333 0.235 22 . 25284 SDO C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -7.602 . 14.446 . 3.207 . 6.909 -0.441 1.019 23 . 25284 SDO C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -7.524 . 13.618 . 4.558 . 8.047 0.063 0.170 24 . 25284 SDO O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -8.535 . 12.983 . 4.863 . 7.833 0.468 -0.948 25 . 25284 SDO C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -6.285 . 13.502 . 5.546 . 9.452 0.064 0.715 26 . 25284 SDO C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -4.982 . 14.245 . 5.226 . 10.408 0.622 -0.340 27 . 25284 SDO C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -3.816 . 13.836 . 6.150 . 11.835 0.622 0.213 28 . 25284 SDO C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -3.867 . 14.339 . 7.612 . 12.777 1.171 -0.827 29 . 25284 SDO O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . -2.965 . 14.035 . 8.395 . 12.352 1.526 -1.900 30 . 25284 SDO C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -5.027 . 15.203 . 8.089 . 14.250 1.278 -0.527 31 . 25284 SDO H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -11.728 . 10.699 . -1.062 . -6.111 2.753 1.730 32 . 25284 SDO H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -11.363 . 8.434 . -4.494 . -9.129 4.685 0.704 33 . 25284 SDO H28A H28A H28A H28A . H . . N 0 . . . 0 no no . . . . -10.095 . 11.991 . -1.788 . -6.576 0.288 0.590 34 . 25284 SDO H28B H28B H28B H28B . H . . N 0 . . . 0 no no . . . . -8.985 . 10.582 . -1.694 . -8.297 -0.163 0.527 35 . 25284 SDO H30A H30A H30A H30A . H . . N 0 . . . 0 no no . . . . -6.807 . 13.448 . -2.543 . -8.826 0.725 -2.322 36 . 25284 SDO H30B H30B H30B H30B . H . . N 0 . . . 0 no no . . . . -8.269 . 13.529 . -1.503 . -8.348 -0.773 -3.157 37 . 25284 SDO H30C H30C H30C H30C . H . . N 0 . . . 0 no no . . . . -7.139 . 12.140 . -1.358 . -9.327 -0.855 -1.672 38 . 25284 SDO H31A H31A H31A H31A . H . . N 0 . . . 0 no no . . . . -6.676 . 11.708 . -4.372 . -5.241 0.388 -1.449 39 . 25284 SDO H31B H31B H31B H31B . H . . N 0 . . . 0 no no . . . . -6.984 . 10.458 . -3.119 . -5.863 -0.259 -2.986 40 . 25284 SDO H31C H31C H31C H31C . H . . N 0 . . . 0 no no . . . . -8.037 . 10.553 . -4.571 . -6.431 1.319 -2.390 41 . 25284 SDO H32A H32A H32A H32A . H . . N 0 . . . 0 no no . . . . -9.582 . 12.566 . -4.897 . -6.617 -2.316 -2.034 42 . 25284 SDO H33A H33A H33A H33A . H . . N 0 . . . 0 no no . . . . -7.996 . 14.753 . -4.658 . -8.278 -2.146 0.341 43 . 25284 SDO H36A H36A H36A H36A . H . . N 0 . . . 0 no no . . . . -11.220 . 12.862 . -2.954 . -4.363 -1.178 -1.477 44 . 25284 SDO H37A H37A H37A H37A . H . . N 0 . . . 0 no no . . . . -11.436 . 15.721 . -2.157 . -3.452 -1.119 1.195 45 . 25284 SDO H37B H37B H37B H37B . H . . N 0 . . . 0 no no . . . . -12.805 . 14.885 . -2.967 . -3.203 -2.760 0.554 46 . 25284 SDO H38A H38A H38A H38A . H . . N 0 . . . 0 no no . . . . -13.352 . 14.808 . -0.687 . -1.913 -1.822 -1.345 47 . 25284 SDO H38B H38B H38B H38B . H . . N 0 . . . 0 no no . . . . -12.672 . 13.182 . -1.035 . -2.163 -0.181 -0.704 48 . 25284 SDO H41A H41A H41A H41A . H . . N 0 . . . 0 no no . . . . -10.143 . 15.300 . -1.038 . 0.480 -0.682 -0.864 49 . 25284 SDO H42A H42A H42A H42A . H . . N 0 . . . 0 no no . . . . -9.648 . 15.782 . 1.736 . 1.392 -0.623 1.808 50 . 25284 SDO H42B H42B H42B H42B . H . . N 0 . . . 0 no no . . . . -8.814 . 14.286 . 1.195 . 1.641 -2.264 1.167 51 . 25284 SDO H43A H43A H43A H43A . H . . N 0 . . . 0 no no . . . . -7.887 . 15.682 . -0.708 . 2.930 -1.326 -0.732 52 . 25284 SDO H43B H43B H43B H43B . H . . N 0 . . . 0 no no . . . . -8.485 . 17.114 . 0.196 . 2.681 0.315 -0.091 53 . 25284 SDO H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . -5.566 . 14.541 . 2.624 . 5.670 -0.933 -0.673 54 . 25284 SDO H1B H1B H1B H1B . H . . N 0 . . . 1 no no . . . . -6.165 . 15.971 . 3.532 . 5.420 0.708 -0.031 55 . 25284 SDO H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . -8.435 . 15.156 . 3.318 . 6.839 0.158 1.927 56 . 25284 SDO H2B H2B H2B H2B . H . . N 0 . . . 1 no no . . . . -7.837 . 13.728 . 2.408 . 7.089 -1.483 1.285 57 . 25284 SDO H4A H4A H4A H4A . H . . N 0 . . . 1 no no . . . . -6.625 . 13.864 . 6.527 . 9.494 0.686 1.609 58 . 25284 SDO H4B H4B H4B H4B . H . . N 0 . . . 1 no no . . . . -6.033 . 12.434 . 5.617 . 9.744 -0.956 0.968 59 . 25284 SDO H5A H5A H5A H5A . H . . N 0 . . . 1 no no . . . . -4.699 . 14.026 . 4.186 . 10.366 -0.001 -1.235 60 . 25284 SDO H5B H5B H5B H5B . H . . N 0 . . . 1 no no . . . . -5.157 . 15.325 . 5.339 . 10.116 1.641 -0.593 61 . 25284 SDO H6A H6A H6A H6A . H . . N 0 . . . 1 no no . . . . -3.785 . 12.737 . 6.178 . 11.877 1.244 1.107 62 . 25284 SDO H6B H6B H6B H6B . H . . N 0 . . . 1 no no . . . . -2.887 . 14.217 . 5.700 . 12.127 -0.398 0.465 63 . 25284 SDO H8A H8A H8A H8A . H . . N 0 . . . 1 no no . . . . -4.885 . 15.454 . 9.150 . 14.749 0.356 -0.826 64 . 25284 SDO H8B H8B H8B H8B . H . . N 0 . . . 1 no no . . . . -5.064 . 16.128 . 7.495 . 14.674 2.116 -1.081 65 . 25284 SDO H8C H8C H8C H8C . H . . N 0 . . . 1 no no . . . . -5.970 . 14.651 . 7.966 . 14.393 1.439 0.541 66 . 25284 SDO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING P24 O26 no N 1 . 25284 SDO 2 . SING P24 O23 no N 2 . 25284 SDO 3 . SING P24 O27 no N 3 . 25284 SDO 4 . SING O27 C28 no N 4 . 25284 SDO 5 . SING C28 C29 no N 5 . 25284 SDO 6 . SING C29 C30 no N 6 . 25284 SDO 7 . SING C29 C31 no N 7 . 25284 SDO 8 . SING C29 C32 no N 8 . 25284 SDO 9 . SING C32 O33 no N 9 . 25284 SDO 10 . SING C32 C34 no N 10 . 25284 SDO 11 . DOUB C34 O35 no N 11 . 25284 SDO 12 . SING C34 N36 no N 12 . 25284 SDO 13 . SING N36 C37 no N 13 . 25284 SDO 14 . SING C37 C38 no N 14 . 25284 SDO 15 . SING C38 C39 no N 15 . 25284 SDO 16 . DOUB C39 O40 no N 16 . 25284 SDO 17 . SING C39 N41 no N 17 . 25284 SDO 18 . SING N41 C42 no N 18 . 25284 SDO 19 . SING C42 C43 no N 19 . 25284 SDO 20 . SING C43 S1 no N 20 . 25284 SDO 21 . SING S1 C1 no N 21 . 25284 SDO 22 . SING C1 C2 no N 22 . 25284 SDO 23 . SING C2 C3 no N 23 . 25284 SDO 24 . DOUB C3 O3 no N 24 . 25284 SDO 25 . SING C3 C4 no N 25 . 25284 SDO 26 . SING C4 C5 no N 26 . 25284 SDO 27 . SING C5 C6 no N 27 . 25284 SDO 28 . SING C6 C7 no N 28 . 25284 SDO 29 . DOUB C7 O7 no N 29 . 25284 SDO 30 . SING C7 C8 no N 30 . 25284 SDO 31 . SING O26 H1 no N 31 . 25284 SDO 32 . SING O23 H2 no N 32 . 25284 SDO 33 . SING C28 H28A no N 33 . 25284 SDO 34 . SING C28 H28B no N 34 . 25284 SDO 35 . SING C30 H30A no N 35 . 25284 SDO 36 . SING C30 H30B no N 36 . 25284 SDO 37 . SING C30 H30C no N 37 . 25284 SDO 38 . SING C31 H31A no N 38 . 25284 SDO 39 . SING C31 H31B no N 39 . 25284 SDO 40 . SING C31 H31C no N 40 . 25284 SDO 41 . SING C32 H32A no N 41 . 25284 SDO 42 . SING O33 H33A no N 42 . 25284 SDO 43 . SING N36 H36A no N 43 . 25284 SDO 44 . SING C37 H37A no N 44 . 25284 SDO 45 . SING C37 H37B no N 45 . 25284 SDO 46 . SING C38 H38A no N 46 . 25284 SDO 47 . SING C38 H38B no N 47 . 25284 SDO 48 . SING N41 H41A no N 48 . 25284 SDO 49 . SING C42 H42A no N 49 . 25284 SDO 50 . SING C42 H42B no N 50 . 25284 SDO 51 . SING C43 H43A no N 51 . 25284 SDO 52 . SING C43 H43B no N 52 . 25284 SDO 53 . SING C1 H1A no N 53 . 25284 SDO 54 . SING C1 H1B no N 54 . 25284 SDO 55 . SING C2 H2A no N 55 . 25284 SDO 56 . SING C2 H2B no N 56 . 25284 SDO 57 . SING C4 H4A no N 57 . 25284 SDO 58 . SING C4 H4B no N 58 . 25284 SDO 59 . SING C5 H5A no N 59 . 25284 SDO 60 . SING C5 H5B no N 60 . 25284 SDO 61 . SING C6 H6A no N 61 . 25284 SDO 62 . SING C6 H6B no N 62 . 25284 SDO 63 . SING C8 H8A no N 63 . 25284 SDO 64 . SING C8 H8B no N 64 . 25284 SDO 65 . SING C8 H8C no N 65 . 25284 SDO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.5 1 2 mM 0.2 . . . 25284 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 25284 1 3 H2O 'natural abundance' . . . . . . 95 . . % 1 . . . 25284 1 4 D2O 'natural abundance' . . . . . . 5 . . % 1 . . . 25284 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25284 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25284 1 pH 5.5 0.2 pH 25284 1 pressure 1 . atm 25284 1 temperature 298 0.5 K 25284 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25284 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25284 1 'structure solution' 25284 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25284 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25284 2 refinement 25284 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25284 _Software.ID 3 _Software.Name VNMRJ _Software.Version 4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25284 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25284 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25284 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25284 4 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25284 _Software.ID 5 _Software.Name Analysis _Software.Version 1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25284 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25284 5 'data analysis' 25284 5 'peak picking' 25284 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25284 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25284 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25284 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Unity_inova_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Unity_inova_600 _NMR_spectrometer.Entry_ID 25284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _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 25284 _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 Unity_inova_600 Agilent Unity . 600 . . . 25284 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 25284 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Unity_inova_600 . . . . . . . . . . . . . . . . 25284 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 25284 _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 . . . . . . . . . 25284 1 H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . . . . . 25284 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.101329118 . . . . . . . . . 25284 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25284 1 4 '3D HNCO' . . . 25284 1 5 '3D HNCA' . . . 25284 1 7 '3D C(CO)NH' . . . 25284 1 8 '3D 1H-15N NOESY' . . . 25284 1 9 '3D 1H-13C NOESY' . . . 25284 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 4.279 0.000 . 1 . . . A 2 ALA HA . 25284 1 2 . 1 1 2 2 ALA HB1 H 1 1.648 0.000 . 1 . . . A 2 ALA HB1 . 25284 1 3 . 1 1 2 2 ALA HB2 H 1 1.648 0.000 . 1 . . . A 2 ALA HB2 . 25284 1 4 . 1 1 2 2 ALA HB3 H 1 1.648 0.000 . 1 . . . A 2 ALA HB3 . 25284 1 5 . 1 1 2 2 ALA C C 13 173.785 0.000 . 1 . . . A 2 ALA C . 25284 1 6 . 1 1 2 2 ALA CA C 13 52.136 0.000 . 1 . . . A 2 ALA CA . 25284 1 7 . 1 1 2 2 ALA CB C 13 20.083 0.000 . 1 . . . A 2 ALA CB . 25284 1 8 . 1 1 3 3 THR H H 1 8.703 0.000 . 1 . . . A 3 THR H . 25284 1 9 . 1 1 3 3 THR HA H 1 4.398 0.000 . 1 . . . A 3 THR HA . 25284 1 10 . 1 1 3 3 THR HB H 1 4.194 0.000 . 1 . . . A 3 THR HB . 25284 1 11 . 1 1 3 3 THR HG21 H 1 1.384 0.000 . 1 . . . A 3 THR HG21 . 25284 1 12 . 1 1 3 3 THR HG22 H 1 1.384 0.000 . 1 . . . A 3 THR HG22 . 25284 1 13 . 1 1 3 3 THR HG23 H 1 1.384 0.000 . 1 . . . A 3 THR HG23 . 25284 1 14 . 1 1 3 3 THR C C 13 172.979 0.000 . 1 . . . A 3 THR C . 25284 1 15 . 1 1 3 3 THR CA C 13 62.907 0.000 . 1 . . . A 3 THR CA . 25284 1 16 . 1 1 3 3 THR CB C 13 70.082 0.000 . 1 . . . A 3 THR CB . 25284 1 17 . 1 1 3 3 THR CG2 C 13 22.254 0.000 . 1 . . . A 3 THR CG2 . 25284 1 18 . 1 1 3 3 THR N N 15 117.799 0.000 . 1 . . . A 3 THR N . 25284 1 19 . 1 1 4 4 LEU H H 1 8.155 0.000 . 1 . . . A 4 LEU H . 25284 1 20 . 1 1 4 4 LEU HA H 1 4.373 0.000 . 1 . . . A 4 LEU HA . 25284 1 21 . 1 1 4 4 LEU HB2 H 1 1.616 0.000 . 2 . . . A 4 LEU HB2 . 25284 1 22 . 1 1 4 4 LEU HB3 H 1 1.488 0.000 . 2 . . . A 4 LEU HB3 . 25284 1 23 . 1 1 4 4 LEU HG H 1 1.714 0.000 . 1 . . . A 4 LEU HG . 25284 1 24 . 1 1 4 4 LEU HD11 H 1 0.907 0.000 . 2 . . . A 4 LEU HD11 . 25284 1 25 . 1 1 4 4 LEU HD12 H 1 0.907 0.000 . 2 . . . A 4 LEU HD12 . 25284 1 26 . 1 1 4 4 LEU HD13 H 1 0.907 0.000 . 2 . . . A 4 LEU HD13 . 25284 1 27 . 1 1 4 4 LEU HD21 H 1 0.955 0.000 . 2 . . . A 4 LEU HD21 . 25284 1 28 . 1 1 4 4 LEU HD22 H 1 0.955 0.000 . 2 . . . A 4 LEU HD22 . 25284 1 29 . 1 1 4 4 LEU HD23 H 1 0.955 0.000 . 2 . . . A 4 LEU HD23 . 25284 1 30 . 1 1 4 4 LEU C C 13 177.215 0.000 . 1 . . . A 4 LEU C . 25284 1 31 . 1 1 4 4 LEU CA C 13 54.852 0.000 . 1 . . . A 4 LEU CA . 25284 1 32 . 1 1 4 4 LEU CB C 13 42.864 0.000 . 1 . . . A 4 LEU CB . 25284 1 33 . 1 1 4 4 LEU CG C 13 27.472 0.000 . 1 . . . A 4 LEU CG . 25284 1 34 . 1 1 4 4 LEU CD1 C 13 23.778 0.000 . 2 . . . A 4 LEU CD1 . 25284 1 35 . 1 1 4 4 LEU CD2 C 13 25.380 0.000 . 2 . . . A 4 LEU CD2 . 25284 1 36 . 1 1 4 4 LEU N N 15 124.656 0.000 . 1 . . . A 4 LEU N . 25284 1 37 . 1 1 5 5 LEU H H 1 9.421 0.000 . 1 . . . A 5 LEU H . 25284 1 38 . 1 1 5 5 LEU HA H 1 4.530 0.000 . 1 . . . A 5 LEU HA . 25284 1 39 . 1 1 5 5 LEU HB2 H 1 1.591 0.000 . 2 . . . A 5 LEU HB2 . 25284 1 40 . 1 1 5 5 LEU HB3 H 1 1.339 0.000 . 2 . . . A 5 LEU HB3 . 25284 1 41 . 1 1 5 5 LEU HG H 1 1.577 0.000 . 1 . . . A 5 LEU HG . 25284 1 42 . 1 1 5 5 LEU HD11 H 1 0.625 0.000 . 2 . . . A 5 LEU HD11 . 25284 1 43 . 1 1 5 5 LEU HD12 H 1 0.625 0.000 . 2 . . . A 5 LEU HD12 . 25284 1 44 . 1 1 5 5 LEU HD13 H 1 0.625 0.000 . 2 . . . A 5 LEU HD13 . 25284 1 45 . 1 1 5 5 LEU HD21 H 1 0.654 0.000 . 2 . . . A 5 LEU HD21 . 25284 1 46 . 1 1 5 5 LEU HD22 H 1 0.654 0.000 . 2 . . . A 5 LEU HD22 . 25284 1 47 . 1 1 5 5 LEU HD23 H 1 0.654 0.000 . 2 . . . A 5 LEU HD23 . 25284 1 48 . 1 1 5 5 LEU C C 13 177.915 0.000 . 1 . . . A 5 LEU C . 25284 1 49 . 1 1 5 5 LEU CA C 13 55.564 0.000 . 1 . . . A 5 LEU CA . 25284 1 50 . 1 1 5 5 LEU CB C 13 42.806 0.000 . 1 . . . A 5 LEU CB . 25284 1 51 . 1 1 5 5 LEU CG C 13 27.898 0.000 . 1 . . . A 5 LEU CG . 25284 1 52 . 1 1 5 5 LEU CD1 C 13 25.442 0.000 . 2 . . . A 5 LEU CD1 . 25284 1 53 . 1 1 5 5 LEU CD2 C 13 25.805 0.000 . 2 . . . A 5 LEU CD2 . 25284 1 54 . 1 1 5 5 LEU N N 15 124.772 0.000 . 1 . . . A 5 LEU N . 25284 1 55 . 1 1 6 6 THR H H 1 9.006 0.000 . 1 . . . A 6 THR H . 25284 1 56 . 1 1 6 6 THR HA H 1 4.745 0.000 . 1 . . . A 6 THR HA . 25284 1 57 . 1 1 6 6 THR HB H 1 4.855 0.000 . 1 . . . A 6 THR HB . 25284 1 58 . 1 1 6 6 THR HG21 H 1 1.418 0.000 . 1 . . . A 6 THR HG21 . 25284 1 59 . 1 1 6 6 THR HG22 H 1 1.418 0.000 . 1 . . . A 6 THR HG22 . 25284 1 60 . 1 1 6 6 THR HG23 H 1 1.418 0.000 . 1 . . . A 6 THR HG23 . 25284 1 61 . 1 1 6 6 THR C C 13 175.958 0.000 . 1 . . . A 6 THR C . 25284 1 62 . 1 1 6 6 THR CA C 13 60.159 0.000 . 1 . . . A 6 THR CA . 25284 1 63 . 1 1 6 6 THR CB C 13 72.442 0.000 . 1 . . . A 6 THR CB . 25284 1 64 . 1 1 6 6 THR CG2 C 13 21.894 0.000 . 1 . . . A 6 THR CG2 . 25284 1 65 . 1 1 6 6 THR N N 15 115.077 0.000 . 1 . . . A 6 THR N . 25284 1 66 . 1 1 7 7 THR H H 1 8.864 0.000 . 1 . . . A 7 THR H . 25284 1 67 . 1 1 7 7 THR HA H 1 3.867 0.000 . 1 . . . A 7 THR HA . 25284 1 68 . 1 1 7 7 THR HB H 1 4.331 0.000 . 1 . . . A 7 THR HB . 25284 1 69 . 1 1 7 7 THR HG21 H 1 1.392 0.000 . 1 . . . A 7 THR HG21 . 25284 1 70 . 1 1 7 7 THR HG22 H 1 1.392 0.000 . 1 . . . A 7 THR HG22 . 25284 1 71 . 1 1 7 7 THR HG23 H 1 1.392 0.000 . 1 . . . A 7 THR HG23 . 25284 1 72 . 1 1 7 7 THR C C 13 176.622 0.000 . 1 . . . A 7 THR C . 25284 1 73 . 1 1 7 7 THR CA C 13 67.331 0.000 . 1 . . . A 7 THR CA . 25284 1 74 . 1 1 7 7 THR CB C 13 68.496 0.000 . 1 . . . A 7 THR CB . 25284 1 75 . 1 1 7 7 THR CG2 C 13 23.713 0.000 . 1 . . . A 7 THR CG2 . 25284 1 76 . 1 1 7 7 THR N N 15 115.895 0.000 . 1 . . . A 7 THR N . 25284 1 77 . 1 1 8 8 ASP H H 1 8.289 0.000 . 1 . . . A 8 ASP H . 25284 1 78 . 1 1 8 8 ASP HA H 1 4.629 0.000 . 1 . . . A 8 ASP HA . 25284 1 79 . 1 1 8 8 ASP HB2 H 1 2.720 0.000 . 1 . . . A 8 ASP HB2 . 25284 1 80 . 1 1 8 8 ASP HB3 H 1 2.720 0.000 . 1 . . . A 8 ASP HB3 . 25284 1 81 . 1 1 8 8 ASP C C 13 178.593 0.000 . 1 . . . A 8 ASP C . 25284 1 82 . 1 1 8 8 ASP CA C 13 57.740 0.000 . 1 . . . A 8 ASP CA . 25284 1 83 . 1 1 8 8 ASP CB C 13 41.273 0.000 . 1 . . . A 8 ASP CB . 25284 1 84 . 1 1 8 8 ASP N N 15 120.253 0.000 . 1 . . . A 8 ASP N . 25284 1 85 . 1 1 9 9 ASP H H 1 7.916 0.000 . 1 . . . A 9 ASP H . 25284 1 86 . 1 1 9 9 ASP HA H 1 4.560 0.000 . 1 . . . A 9 ASP HA . 25284 1 87 . 1 1 9 9 ASP HB2 H 1 3.040 0.000 . 2 . . . A 9 ASP HB2 . 25284 1 88 . 1 1 9 9 ASP HB3 H 1 2.702 0.000 . 2 . . . A 9 ASP HB3 . 25284 1 89 . 1 1 9 9 ASP C C 13 179.465 0.000 . 1 . . . A 9 ASP C . 25284 1 90 . 1 1 9 9 ASP CA C 13 57.608 0.000 . 1 . . . A 9 ASP CA . 25284 1 91 . 1 1 9 9 ASP CB C 13 41.559 0.000 . 1 . . . A 9 ASP CB . 25284 1 92 . 1 1 9 9 ASP N N 15 120.653 0.000 . 1 . . . A 9 ASP N . 25284 1 93 . 1 1 10 10 LEU H H 1 8.086 0.000 . 1 . . . A 10 LEU H . 25284 1 94 . 1 1 10 10 LEU HA H 1 4.216 0.000 . 1 . . . A 10 LEU HA . 25284 1 95 . 1 1 10 10 LEU HB2 H 1 2.347 0.000 . 2 . . . A 10 LEU HB2 . 25284 1 96 . 1 1 10 10 LEU HB3 H 1 1.569 0.000 . 2 . . . A 10 LEU HB3 . 25284 1 97 . 1 1 10 10 LEU HG H 1 1.899 0.000 . 1 . . . A 10 LEU HG . 25284 1 98 . 1 1 10 10 LEU HD11 H 1 1.053 0.000 . 2 . . . A 10 LEU HD11 . 25284 1 99 . 1 1 10 10 LEU HD12 H 1 1.053 0.000 . 2 . . . A 10 LEU HD12 . 25284 1 100 . 1 1 10 10 LEU HD13 H 1 1.053 0.000 . 2 . . . A 10 LEU HD13 . 25284 1 101 . 1 1 10 10 LEU HD21 H 1 1.114 0.000 . 2 . . . A 10 LEU HD21 . 25284 1 102 . 1 1 10 10 LEU HD22 H 1 1.114 0.000 . 2 . . . A 10 LEU HD22 . 25284 1 103 . 1 1 10 10 LEU HD23 H 1 1.114 0.000 . 2 . . . A 10 LEU HD23 . 25284 1 104 . 1 1 10 10 LEU C C 13 177.517 0.000 . 1 . . . A 10 LEU C . 25284 1 105 . 1 1 10 10 LEU CA C 13 58.031 0.000 . 1 . . . A 10 LEU CA . 25284 1 106 . 1 1 10 10 LEU CB C 13 42.146 0.000 . 1 . . . A 10 LEU CB . 25284 1 107 . 1 1 10 10 LEU CG C 13 27.769 0.000 . 1 . . . A 10 LEU CG . 25284 1 108 . 1 1 10 10 LEU CD1 C 13 23.795 0.000 . 2 . . . A 10 LEU CD1 . 25284 1 109 . 1 1 10 10 LEU CD2 C 13 28.106 0.000 . 2 . . . A 10 LEU CD2 . 25284 1 110 . 1 1 10 10 LEU N N 15 121.585 0.000 . 1 . . . A 10 LEU N . 25284 1 111 . 1 1 11 11 ARG H H 1 8.852 0.000 . 1 . . . A 11 ARG H . 25284 1 112 . 1 1 11 11 ARG HA H 1 3.514 0.000 . 1 . . . A 11 ARG HA . 25284 1 113 . 1 1 11 11 ARG HB2 H 1 2.048 0.000 . 1 . . . A 11 ARG HB2 . 25284 1 114 . 1 1 11 11 ARG HB3 H 1 2.048 0.000 . 1 . . . A 11 ARG HB3 . 25284 1 115 . 1 1 11 11 ARG HG2 H 1 1.398 0.000 . 2 . . . A 11 ARG HG2 . 25284 1 116 . 1 1 11 11 ARG HG3 H 1 1.136 0.000 . 2 . . . A 11 ARG HG3 . 25284 1 117 . 1 1 11 11 ARG HD2 H 1 3.204 0.000 . 1 . . . A 11 ARG HD2 . 25284 1 118 . 1 1 11 11 ARG HD3 H 1 3.204 0.000 . 1 . . . A 11 ARG HD3 . 25284 1 119 . 1 1 11 11 ARG HE H 1 7.246 0.000 . 1 . . . A 11 ARG HE . 25284 1 120 . 1 1 11 11 ARG C C 13 177.769 0.000 . 1 . . . A 11 ARG C . 25284 1 121 . 1 1 11 11 ARG CA C 13 60.715 0.000 . 1 . . . A 11 ARG CA . 25284 1 122 . 1 1 11 11 ARG CB C 13 30.775 0.000 . 1 . . . A 11 ARG CB . 25284 1 123 . 1 1 11 11 ARG CG C 13 27.608 0.000 . 1 . . . A 11 ARG CG . 25284 1 124 . 1 1 11 11 ARG CD C 13 43.714 0.000 . 1 . . . A 11 ARG CD . 25284 1 125 . 1 1 11 11 ARG N N 15 120.099 0.000 . 1 . . . A 11 ARG N . 25284 1 126 . 1 1 11 11 ARG NE N 15 83.852 0.000 . 1 . . . A 11 ARG NE . 25284 1 127 . 1 1 12 12 ARG H H 1 7.996 0.000 . 1 . . . A 12 ARG H . 25284 1 128 . 1 1 12 12 ARG HA H 1 4.032 0.000 . 1 . . . A 12 ARG HA . 25284 1 129 . 1 1 12 12 ARG HB2 H 1 2.021 0.000 . 1 . . . A 12 ARG HB2 . 25284 1 130 . 1 1 12 12 ARG HB3 H 1 2.021 0.000 . 1 . . . A 12 ARG HB3 . 25284 1 131 . 1 1 12 12 ARG HG2 H 1 1.946 0.000 . 2 . . . A 12 ARG HG2 . 25284 1 132 . 1 1 12 12 ARG HG3 H 1 1.687 0.000 . 2 . . . A 12 ARG HG3 . 25284 1 133 . 1 1 12 12 ARG HD2 H 1 3.370 0.000 . 2 . . . A 12 ARG HD2 . 25284 1 134 . 1 1 12 12 ARG HD3 H 1 3.313 0.000 . 2 . . . A 12 ARG HD3 . 25284 1 135 . 1 1 12 12 ARG HE H 1 7.518 0.000 . 1 . . . A 12 ARG HE . 25284 1 136 . 1 1 12 12 ARG C C 13 178.492 0.000 . 1 . . . A 12 ARG C . 25284 1 137 . 1 1 12 12 ARG CA C 13 59.592 0.000 . 1 . . . A 12 ARG CA . 25284 1 138 . 1 1 12 12 ARG CB C 13 30.583 0.000 . 1 . . . A 12 ARG CB . 25284 1 139 . 1 1 12 12 ARG CG C 13 28.357 0.000 . 1 . . . A 12 ARG CG . 25284 1 140 . 1 1 12 12 ARG CD C 13 43.789 0.000 . 1 . . . A 12 ARG CD . 25284 1 141 . 1 1 12 12 ARG N N 15 115.840 0.000 . 1 . . . A 12 ARG N . 25284 1 142 . 1 1 12 12 ARG NE N 15 85.312 0.000 . 1 . . . A 12 ARG NE . 25284 1 143 . 1 1 13 13 ALA H H 1 7.705 0.000 . 1 . . . A 13 ALA H . 25284 1 144 . 1 1 13 13 ALA HA H 1 4.401 0.000 . 1 . . . A 13 ALA HA . 25284 1 145 . 1 1 13 13 ALA HB1 H 1 1.671 0.000 . 1 . . . A 13 ALA HB1 . 25284 1 146 . 1 1 13 13 ALA HB2 H 1 1.671 0.000 . 1 . . . A 13 ALA HB2 . 25284 1 147 . 1 1 13 13 ALA HB3 H 1 1.671 0.000 . 1 . . . A 13 ALA HB3 . 25284 1 148 . 1 1 13 13 ALA C C 13 180.114 0.000 . 1 . . . A 13 ALA C . 25284 1 149 . 1 1 13 13 ALA CA C 13 54.938 0.000 . 1 . . . A 13 ALA CA . 25284 1 150 . 1 1 13 13 ALA CB C 13 18.756 0.000 . 1 . . . A 13 ALA CB . 25284 1 151 . 1 1 13 13 ALA N N 15 120.184 0.000 . 1 . . . A 13 ALA N . 25284 1 152 . 1 1 14 14 LEU H H 1 8.424 0.000 . 1 . . . A 14 LEU H . 25284 1 153 . 1 1 14 14 LEU HA H 1 4.424 0.000 . 1 . . . A 14 LEU HA . 25284 1 154 . 1 1 14 14 LEU HB2 H 1 1.992 0.000 . 2 . . . A 14 LEU HB2 . 25284 1 155 . 1 1 14 14 LEU HB3 H 1 1.429 0.000 . 2 . . . A 14 LEU HB3 . 25284 1 156 . 1 1 14 14 LEU HG H 1 1.883 0.000 . 1 . . . A 14 LEU HG . 25284 1 157 . 1 1 14 14 LEU HD11 H 1 0.762 0.000 . 2 . . . A 14 LEU HD11 . 25284 1 158 . 1 1 14 14 LEU HD12 H 1 0.762 0.000 . 2 . . . A 14 LEU HD12 . 25284 1 159 . 1 1 14 14 LEU HD13 H 1 0.762 0.000 . 2 . . . A 14 LEU HD13 . 25284 1 160 . 1 1 14 14 LEU HD21 H 1 0.904 0.000 . 2 . . . A 14 LEU HD21 . 25284 1 161 . 1 1 14 14 LEU HD22 H 1 0.904 0.000 . 2 . . . A 14 LEU HD22 . 25284 1 162 . 1 1 14 14 LEU HD23 H 1 0.904 0.000 . 2 . . . A 14 LEU HD23 . 25284 1 163 . 1 1 14 14 LEU C C 13 179.766 0.000 . 1 . . . A 14 LEU C . 25284 1 164 . 1 1 14 14 LEU CA C 13 57.568 0.000 . 1 . . . A 14 LEU CA . 25284 1 165 . 1 1 14 14 LEU CB C 13 42.039 0.000 . 1 . . . A 14 LEU CB . 25284 1 166 . 1 1 14 14 LEU CG C 13 27.519 0.000 . 1 . . . A 14 LEU CG . 25284 1 167 . 1 1 14 14 LEU CD1 C 13 23.560 0.000 . 2 . . . A 14 LEU CD1 . 25284 1 168 . 1 1 14 14 LEU CD2 C 13 26.962 0.000 . 2 . . . A 14 LEU CD2 . 25284 1 169 . 1 1 14 14 LEU N N 15 119.427 0.000 . 1 . . . A 14 LEU N . 25284 1 170 . 1 1 15 15 VAL H H 1 8.519 0.000 . 1 . . . A 15 VAL H . 25284 1 171 . 1 1 15 15 VAL HA H 1 3.920 0.000 . 1 . . . A 15 VAL HA . 25284 1 172 . 1 1 15 15 VAL HB H 1 2.271 0.000 . 1 . . . A 15 VAL HB . 25284 1 173 . 1 1 15 15 VAL HG11 H 1 1.044 0.000 . 2 . . . A 15 VAL HG11 . 25284 1 174 . 1 1 15 15 VAL HG12 H 1 1.044 0.000 . 2 . . . A 15 VAL HG12 . 25284 1 175 . 1 1 15 15 VAL HG13 H 1 1.044 0.000 . 2 . . . A 15 VAL HG13 . 25284 1 176 . 1 1 15 15 VAL HG21 H 1 1.126 0.000 . 2 . . . A 15 VAL HG21 . 25284 1 177 . 1 1 15 15 VAL HG22 H 1 1.126 0.000 . 2 . . . A 15 VAL HG22 . 25284 1 178 . 1 1 15 15 VAL HG23 H 1 1.126 0.000 . 2 . . . A 15 VAL HG23 . 25284 1 179 . 1 1 15 15 VAL C C 13 179.014 0.000 . 1 . . . A 15 VAL C . 25284 1 180 . 1 1 15 15 VAL CA C 13 66.259 0.000 . 1 . . . A 15 VAL CA . 25284 1 181 . 1 1 15 15 VAL CB C 13 32.137 0.000 . 1 . . . A 15 VAL CB . 25284 1 182 . 1 1 15 15 VAL CG1 C 13 21.555 0.000 . 2 . . . A 15 VAL CG1 . 25284 1 183 . 1 1 15 15 VAL CG2 C 13 22.929 0.000 . 2 . . . A 15 VAL CG2 . 25284 1 184 . 1 1 15 15 VAL N N 15 121.004 0.000 . 1 . . . A 15 VAL N . 25284 1 185 . 1 1 16 16 GLU H H 1 8.218 0.000 . 1 . . . A 16 GLU H . 25284 1 186 . 1 1 16 16 GLU HA H 1 4.206 0.000 . 1 . . . A 16 GLU HA . 25284 1 187 . 1 1 16 16 GLU HB2 H 1 2.213 0.000 . 2 . . . A 16 GLU HB2 . 25284 1 188 . 1 1 16 16 GLU HB3 H 1 2.127 0.000 . 2 . . . A 16 GLU HB3 . 25284 1 189 . 1 1 16 16 GLU HG2 H 1 2.627 0.000 . 2 . . . A 16 GLU HG2 . 25284 1 190 . 1 1 16 16 GLU HG3 H 1 2.401 0.000 . 2 . . . A 16 GLU HG3 . 25284 1 191 . 1 1 16 16 GLU C C 13 178.547 0.000 . 1 . . . A 16 GLU C . 25284 1 192 . 1 1 16 16 GLU CA C 13 59.042 0.000 . 1 . . . A 16 GLU CA . 25284 1 193 . 1 1 16 16 GLU CB C 13 29.692 0.000 . 1 . . . A 16 GLU CB . 25284 1 194 . 1 1 16 16 GLU CG C 13 36.805 0.000 . 1 . . . A 16 GLU CG . 25284 1 195 . 1 1 16 16 GLU N N 15 119.984 0.000 . 1 . . . A 16 GLU N . 25284 1 196 . 1 1 17 17 SER H H 1 7.798 0.000 . 1 . . . A 17 SER H . 25284 1 197 . 1 1 17 17 SER HA H 1 4.577 0.000 . 1 . . . A 17 SER HA . 25284 1 198 . 1 1 17 17 SER HB2 H 1 4.142 0.000 . 2 . . . A 17 SER HB2 . 25284 1 199 . 1 1 17 17 SER HB3 H 1 4.063 0.000 . 2 . . . A 17 SER HB3 . 25284 1 200 . 1 1 17 17 SER C C 13 174.273 0.000 . 1 . . . A 17 SER C . 25284 1 201 . 1 1 17 17 SER CA C 13 59.940 0.000 . 1 . . . A 17 SER CA . 25284 1 202 . 1 1 17 17 SER CB C 13 64.378 0.000 . 1 . . . A 17 SER CB . 25284 1 203 . 1 1 17 17 SER N N 15 113.928 0.000 . 1 . . . A 17 SER N . 25284 1 204 . 1 1 18 18 ALA H H 1 7.813 0.000 . 1 . . . A 18 ALA H . 25284 1 205 . 1 1 18 18 ALA HA H 1 4.347 0.000 . 1 . . . A 18 ALA HA . 25284 1 206 . 1 1 18 18 ALA HB1 H 1 1.540 0.000 . 1 . . . A 18 ALA HB1 . 25284 1 207 . 1 1 18 18 ALA HB2 H 1 1.540 0.000 . 1 . . . A 18 ALA HB2 . 25284 1 208 . 1 1 18 18 ALA HB3 H 1 1.540 0.000 . 1 . . . A 18 ALA HB3 . 25284 1 209 . 1 1 18 18 ALA C C 13 178.292 0.000 . 1 . . . A 18 ALA C . 25284 1 210 . 1 1 18 18 ALA CA C 13 52.991 0.000 . 1 . . . A 18 ALA CA . 25284 1 211 . 1 1 18 18 ALA CB C 13 19.965 0.000 . 1 . . . A 18 ALA CB . 25284 1 212 . 1 1 18 18 ALA N N 15 123.357 0.000 . 1 . . . A 18 ALA N . 25284 1 213 . 1 1 19 19 GLY H H 1 8.256 0.000 . 1 . . . A 19 GLY H . 25284 1 214 . 1 1 19 19 GLY HA2 H 1 4.061 0.000 . 1 . . . A 19 GLY HA2 . 25284 1 215 . 1 1 19 19 GLY HA3 H 1 4.061 0.000 . 1 . . . A 19 GLY HA3 . 25284 1 216 . 1 1 19 19 GLY C C 13 174.440 0.000 . 1 . . . A 19 GLY C . 25284 1 217 . 1 1 19 19 GLY CA C 13 45.650 0.000 . 1 . . . A 19 GLY CA . 25284 1 218 . 1 1 19 19 GLY N N 15 107.711 0.000 . 1 . . . A 19 GLY N . 25284 1 219 . 1 1 20 20 GLU H H 1 8.508 0.000 . 1 . . . A 20 GLU H . 25284 1 220 . 1 1 20 20 GLU HA H 1 4.477 0.000 . 1 . . . A 20 GLU HA . 25284 1 221 . 1 1 20 20 GLU HB2 H 1 2.212 0.000 . 2 . . . A 20 GLU HB2 . 25284 1 222 . 1 1 20 20 GLU HB3 H 1 2.113 0.000 . 2 . . . A 20 GLU HB3 . 25284 1 223 . 1 1 20 20 GLU HG2 H 1 2.402 0.000 . 1 . . . A 20 GLU HG2 . 25284 1 224 . 1 1 20 20 GLU HG3 H 1 2.402 0.000 . 1 . . . A 20 GLU HG3 . 25284 1 225 . 1 1 20 20 GLU C C 13 176.905 0.000 . 1 . . . A 20 GLU C . 25284 1 226 . 1 1 20 20 GLU CA C 13 56.896 0.000 . 1 . . . A 20 GLU CA . 25284 1 227 . 1 1 20 20 GLU CB C 13 30.160 0.000 . 1 . . . A 20 GLU CB . 25284 1 228 . 1 1 20 20 GLU CG C 13 35.882 0.000 . 1 . . . A 20 GLU CG . 25284 1 229 . 1 1 20 20 GLU N N 15 120.763 0.000 . 1 . . . A 20 GLU N . 25284 1 230 . 1 1 21 21 THR H H 1 8.258 0.000 . 1 . . . A 21 THR H . 25284 1 231 . 1 1 21 21 THR HA H 1 4.529 0.000 . 1 . . . A 21 THR HA . 25284 1 232 . 1 1 21 21 THR HB H 1 4.374 0.000 . 1 . . . A 21 THR HB . 25284 1 233 . 1 1 21 21 THR HG21 H 1 1.243 0.000 . 1 . . . A 21 THR HG21 . 25284 1 234 . 1 1 21 21 THR HG22 H 1 1.243 0.000 . 1 . . . A 21 THR HG22 . 25284 1 235 . 1 1 21 21 THR HG23 H 1 1.243 0.000 . 1 . . . A 21 THR HG23 . 25284 1 236 . 1 1 21 21 THR C C 13 174.564 0.000 . 1 . . . A 21 THR C . 25284 1 237 . 1 1 21 21 THR CA C 13 61.942 0.000 . 1 . . . A 21 THR CA . 25284 1 238 . 1 1 21 21 THR CB C 13 70.323 0.000 . 1 . . . A 21 THR CB . 25284 1 239 . 1 1 21 21 THR CG2 C 13 21.908 0.000 . 1 . . . A 21 THR CG2 . 25284 1 240 . 1 1 21 21 THR N N 15 114.316 0.000 . 1 . . . A 21 THR N . 25284 1 241 . 1 1 22 22 ASP H H 1 8.506 0.000 . 1 . . . A 22 ASP H . 25284 1 242 . 1 1 22 22 ASP HA H 1 4.728 0.000 . 1 . . . A 22 ASP HA . 25284 1 243 . 1 1 22 22 ASP HB2 H 1 2.836 0.000 . 1 . . . A 22 ASP HB2 . 25284 1 244 . 1 1 22 22 ASP HB3 H 1 2.836 0.000 . 1 . . . A 22 ASP HB3 . 25284 1 245 . 1 1 22 22 ASP C C 13 176.913 0.000 . 1 . . . A 22 ASP C . 25284 1 246 . 1 1 22 22 ASP CA C 13 54.806 0.000 . 1 . . . A 22 ASP CA . 25284 1 247 . 1 1 22 22 ASP CB C 13 41.144 0.000 . 1 . . . A 22 ASP CB . 25284 1 248 . 1 1 22 22 ASP N N 15 122.479 0.000 . 1 . . . A 22 ASP N . 25284 1 249 . 1 1 23 23 GLY H H 1 8.503 0.000 . 1 . . . A 23 GLY H . 25284 1 250 . 1 1 23 23 GLY HA2 H 1 4.078 0.000 . 1 . . . A 23 GLY HA2 . 25284 1 251 . 1 1 23 23 GLY HA3 H 1 4.078 0.000 . 1 . . . A 23 GLY HA3 . 25284 1 252 . 1 1 23 23 GLY C C 13 174.806 0.000 . 1 . . . A 23 GLY C . 25284 1 253 . 1 1 23 23 GLY CA C 13 45.969 0.000 . 1 . . . A 23 GLY CA . 25284 1 254 . 1 1 23 23 GLY N N 15 109.608 0.000 . 1 . . . A 23 GLY N . 25284 1 255 . 1 1 24 24 THR H H 1 8.152 0.000 . 1 . . . A 24 THR H . 25284 1 256 . 1 1 24 24 THR HA H 1 4.333 0.000 . 1 . . . A 24 THR HA . 25284 1 257 . 1 1 24 24 THR HB H 1 4.229 0.000 . 1 . . . A 24 THR HB . 25284 1 258 . 1 1 24 24 THR HG21 H 1 1.283 0.000 . 1 . . . A 24 THR HG21 . 25284 1 259 . 1 1 24 24 THR HG22 H 1 1.283 0.000 . 1 . . . A 24 THR HG22 . 25284 1 260 . 1 1 24 24 THR HG23 H 1 1.283 0.000 . 1 . . . A 24 THR HG23 . 25284 1 261 . 1 1 24 24 THR C C 13 174.247 0.000 . 1 . . . A 24 THR C . 25284 1 262 . 1 1 24 24 THR CA C 13 63.240 0.000 . 1 . . . A 24 THR CA . 25284 1 263 . 1 1 24 24 THR CB C 13 70.056 0.000 . 1 . . . A 24 THR CB . 25284 1 264 . 1 1 24 24 THR CG2 C 13 22.014 0.000 . 1 . . . A 24 THR CG2 . 25284 1 265 . 1 1 24 24 THR N N 15 116.205 0.000 . 1 . . . A 24 THR N . 25284 1 266 . 1 1 25 25 ASP H H 1 8.620 0.000 . 1 . . . A 25 ASP H . 25284 1 267 . 1 1 25 25 ASP HA H 1 4.718 0.000 . 1 . . . A 25 ASP HA . 25284 1 268 . 1 1 25 25 ASP HB2 H 1 2.891 0.000 . 2 . . . A 25 ASP HB2 . 25284 1 269 . 1 1 25 25 ASP HB3 H 1 2.759 0.000 . 2 . . . A 25 ASP HB3 . 25284 1 270 . 1 1 25 25 ASP C C 13 176.223 0.000 . 1 . . . A 25 ASP C . 25284 1 271 . 1 1 25 25 ASP CA C 13 54.536 0.000 . 1 . . . A 25 ASP CA . 25284 1 272 . 1 1 25 25 ASP CB C 13 41.163 0.000 . 1 . . . A 25 ASP CB . 25284 1 273 . 1 1 25 25 ASP N N 15 124.096 0.000 . 1 . . . A 25 ASP N . 25284 1 274 . 1 1 26 26 LEU H H 1 8.482 0.000 . 1 . . . A 26 LEU H . 25284 1 275 . 1 1 26 26 LEU HA H 1 4.365 0.000 . 1 . . . A 26 LEU HA . 25284 1 276 . 1 1 26 26 LEU HB2 H 1 1.446 0.000 . 2 . . . A 26 LEU HB2 . 25284 1 277 . 1 1 26 26 LEU HB3 H 1 1.218 0.000 . 2 . . . A 26 LEU HB3 . 25284 1 278 . 1 1 26 26 LEU HG H 1 1.580 0.000 . 1 . . . A 26 LEU HG . 25284 1 279 . 1 1 26 26 LEU HD11 H 1 0.726 0.000 . 2 . . . A 26 LEU HD11 . 25284 1 280 . 1 1 26 26 LEU HD12 H 1 0.726 0.000 . 2 . . . A 26 LEU HD12 . 25284 1 281 . 1 1 26 26 LEU HD13 H 1 0.726 0.000 . 2 . . . A 26 LEU HD13 . 25284 1 282 . 1 1 26 26 LEU HD21 H 1 0.793 0.000 . 2 . . . A 26 LEU HD21 . 25284 1 283 . 1 1 26 26 LEU HD22 H 1 0.793 0.000 . 2 . . . A 26 LEU HD22 . 25284 1 284 . 1 1 26 26 LEU HD23 H 1 0.793 0.000 . 2 . . . A 26 LEU HD23 . 25284 1 285 . 1 1 26 26 LEU C C 13 176.356 0.000 . 1 . . . A 26 LEU C . 25284 1 286 . 1 1 26 26 LEU CA C 13 54.374 0.000 . 1 . . . A 26 LEU CA . 25284 1 287 . 1 1 26 26 LEU CB C 13 41.235 0.000 . 1 . . . A 26 LEU CB . 25284 1 288 . 1 1 26 26 LEU CG C 13 26.608 0.000 . 1 . . . A 26 LEU CG . 25284 1 289 . 1 1 26 26 LEU CD1 C 13 23.520 0.000 . 2 . . . A 26 LEU CD1 . 25284 1 290 . 1 1 26 26 LEU CD2 C 13 26.361 0.000 . 2 . . . A 26 LEU CD2 . 25284 1 291 . 1 1 26 26 LEU N N 15 123.934 0.000 . 1 . . . A 26 LEU N . 25284 1 292 . 1 1 27 27 SER H H 1 8.214 0.000 . 1 . . . A 27 SER H . 25284 1 293 . 1 1 27 27 SER HA H 1 4.300 0.000 . 1 . . . A 27 SER HA . 25284 1 294 . 1 1 27 27 SER HB2 H 1 4.031 0.000 . 2 . . . A 27 SER HB2 . 25284 1 295 . 1 1 27 27 SER HB3 H 1 3.983 0.000 . 2 . . . A 27 SER HB3 . 25284 1 296 . 1 1 27 27 SER C C 13 175.077 0.000 . 1 . . . A 27 SER C . 25284 1 297 . 1 1 27 27 SER CA C 13 59.917 0.000 . 1 . . . A 27 SER CA . 25284 1 298 . 1 1 27 27 SER CB C 13 64.229 0.000 . 1 . . . A 27 SER CB . 25284 1 299 . 1 1 27 27 SER N N 15 115.330 0.000 . 1 . . . A 27 SER N . 25284 1 300 . 1 1 28 28 GLY H H 1 8.592 0.000 . 1 . . . A 28 GLY H . 25284 1 301 . 1 1 28 28 GLY HA2 H 1 4.241 0.000 . 2 . . . A 28 GLY HA2 . 25284 1 302 . 1 1 28 28 GLY HA3 H 1 3.883 0.000 . 2 . . . A 28 GLY HA3 . 25284 1 303 . 1 1 28 28 GLY C C 13 174.303 0.000 . 1 . . . A 28 GLY C . 25284 1 304 . 1 1 28 28 GLY CA C 13 45.500 0.000 . 1 . . . A 28 GLY CA . 25284 1 305 . 1 1 28 28 GLY N N 15 111.630 0.000 . 1 . . . A 28 GLY N . 25284 1 306 . 1 1 29 29 ASP H H 1 8.690 0.000 . 1 . . . A 29 ASP H . 25284 1 307 . 1 1 29 29 ASP HA H 1 4.851 0.000 . 1 . . . A 29 ASP HA . 25284 1 308 . 1 1 29 29 ASP HB2 H 1 2.899 0.000 . 2 . . . A 29 ASP HB2 . 25284 1 309 . 1 1 29 29 ASP HB3 H 1 2.675 0.000 . 2 . . . A 29 ASP HB3 . 25284 1 310 . 1 1 29 29 ASP C C 13 176.494 0.000 . 1 . . . A 29 ASP C . 25284 1 311 . 1 1 29 29 ASP CA C 13 54.312 0.000 . 1 . . . A 29 ASP CA . 25284 1 312 . 1 1 29 29 ASP CB C 13 39.771 0.000 . 1 . . . A 29 ASP CB . 25284 1 313 . 1 1 29 29 ASP N N 15 123.552 0.000 . 1 . . . A 29 ASP N . 25284 1 314 . 1 1 30 30 PHE H H 1 8.076 0.000 . 1 . . . A 30 PHE H . 25284 1 315 . 1 1 30 30 PHE HA H 1 4.764 0.000 . 1 . . . A 30 PHE HA . 25284 1 316 . 1 1 30 30 PHE HB2 H 1 3.295 0.000 . 2 . . . A 30 PHE HB2 . 25284 1 317 . 1 1 30 30 PHE HB3 H 1 3.012 0.000 . 2 . . . A 30 PHE HB3 . 25284 1 318 . 1 1 30 30 PHE HZ H 1 7.351 0.000 . 1 . . . A 30 PHE HZ . 25284 1 319 . 1 1 30 30 PHE C C 13 175.529 0.000 . 1 . . . A 30 PHE C . 25284 1 320 . 1 1 30 30 PHE CA C 13 57.493 0.000 . 1 . . . A 30 PHE CA . 25284 1 321 . 1 1 30 30 PHE CB C 13 40.639 0.000 . 1 . . . A 30 PHE CB . 25284 1 322 . 1 1 30 30 PHE CZ C 13 128.885 0.000 . 1 . . . A 30 PHE CZ . 25284 1 323 . 1 1 30 30 PHE N N 15 122.578 0.000 . 1 . . . A 30 PHE N . 25284 1 324 . 1 1 31 31 LEU H H 1 7.535 0.000 . 1 . . . A 31 LEU H . 25284 1 325 . 1 1 31 31 LEU HA H 1 3.302 0.000 . 1 . . . A 31 LEU HA . 25284 1 326 . 1 1 31 31 LEU HB2 H 1 1.637 0.000 . 2 . . . A 31 LEU HB2 . 25284 1 327 . 1 1 31 31 LEU HB3 H 1 1.020 0.000 . 2 . . . A 31 LEU HB3 . 25284 1 328 . 1 1 31 31 LEU HG H 1 1.195 0.000 . 1 . . . A 31 LEU HG . 25284 1 329 . 1 1 31 31 LEU HD11 H 1 0.449 0.000 . 2 . . . A 31 LEU HD11 . 25284 1 330 . 1 1 31 31 LEU HD12 H 1 0.449 0.000 . 2 . . . A 31 LEU HD12 . 25284 1 331 . 1 1 31 31 LEU HD13 H 1 0.449 0.000 . 2 . . . A 31 LEU HD13 . 25284 1 332 . 1 1 31 31 LEU HD21 H 1 0.782 0.000 . 2 . . . A 31 LEU HD21 . 25284 1 333 . 1 1 31 31 LEU HD22 H 1 0.782 0.000 . 2 . . . A 31 LEU HD22 . 25284 1 334 . 1 1 31 31 LEU HD23 H 1 0.782 0.000 . 2 . . . A 31 LEU HD23 . 25284 1 335 . 1 1 31 31 LEU C C 13 176.503 0.000 . 1 . . . A 31 LEU C . 25284 1 336 . 1 1 31 31 LEU CA C 13 57.940 0.000 . 1 . . . A 31 LEU CA . 25284 1 337 . 1 1 31 31 LEU CB C 13 42.218 0.000 . 1 . . . A 31 LEU CB . 25284 1 338 . 1 1 31 31 LEU CG C 13 27.098 0.000 . 1 . . . A 31 LEU CG . 25284 1 339 . 1 1 31 31 LEU CD1 C 13 23.881 0.000 . 2 . . . A 31 LEU CD1 . 25284 1 340 . 1 1 31 31 LEU CD2 C 13 25.492 0.000 . 2 . . . A 31 LEU CD2 . 25284 1 341 . 1 1 31 31 LEU N N 15 119.188 0.000 . 1 . . . A 31 LEU N . 25284 1 342 . 1 1 32 32 ASP H H 1 8.087 0.000 . 1 . . . A 32 ASP H . 25284 1 343 . 1 1 32 32 ASP HA H 1 5.047 0.000 . 1 . . . A 32 ASP HA . 25284 1 344 . 1 1 32 32 ASP HB2 H 1 3.034 0.000 . 2 . . . A 32 ASP HB2 . 25284 1 345 . 1 1 32 32 ASP HB3 H 1 2.361 0.000 . 2 . . . A 32 ASP HB3 . 25284 1 346 . 1 1 32 32 ASP C C 13 176.064 0.000 . 1 . . . A 32 ASP C . 25284 1 347 . 1 1 32 32 ASP CA C 13 53.755 0.000 . 1 . . . A 32 ASP CA . 25284 1 348 . 1 1 32 32 ASP CB C 13 41.824 0.000 . 1 . . . A 32 ASP CB . 25284 1 349 . 1 1 32 32 ASP N N 15 112.101 0.000 . 1 . . . A 32 ASP N . 25284 1 350 . 1 1 33 33 LEU H H 1 7.222 0.000 . 1 . . . A 33 LEU H . 25284 1 351 . 1 1 33 33 LEU HA H 1 4.309 0.000 . 1 . . . A 33 LEU HA . 25284 1 352 . 1 1 33 33 LEU HB2 H 1 1.783 0.000 . 2 . . . A 33 LEU HB2 . 25284 1 353 . 1 1 33 33 LEU HB3 H 1 1.402 0.000 . 2 . . . A 33 LEU HB3 . 25284 1 354 . 1 1 33 33 LEU HG H 1 1.783 0.000 . 1 . . . A 33 LEU HG . 25284 1 355 . 1 1 33 33 LEU HD11 H 1 0.955 0.000 . 2 . . . A 33 LEU HD11 . 25284 1 356 . 1 1 33 33 LEU HD12 H 1 0.955 0.000 . 2 . . . A 33 LEU HD12 . 25284 1 357 . 1 1 33 33 LEU HD13 H 1 0.955 0.000 . 2 . . . A 33 LEU HD13 . 25284 1 358 . 1 1 33 33 LEU HD21 H 1 1.072 0.000 . 2 . . . A 33 LEU HD21 . 25284 1 359 . 1 1 33 33 LEU HD22 H 1 1.072 0.000 . 2 . . . A 33 LEU HD22 . 25284 1 360 . 1 1 33 33 LEU HD23 H 1 1.072 0.000 . 2 . . . A 33 LEU HD23 . 25284 1 361 . 1 1 33 33 LEU C C 13 174.879 0.000 . 1 . . . A 33 LEU C . 25284 1 362 . 1 1 33 33 LEU CA C 13 54.566 0.000 . 1 . . . A 33 LEU CA . 25284 1 363 . 1 1 33 33 LEU CB C 13 42.528 0.000 . 1 . . . A 33 LEU CB . 25284 1 364 . 1 1 33 33 LEU CG C 13 27.119 0.000 . 1 . . . A 33 LEU CG . 25284 1 365 . 1 1 33 33 LEU CD1 C 13 22.654 0.000 . 2 . . . A 33 LEU CD1 . 25284 1 366 . 1 1 33 33 LEU CD2 C 13 26.392 0.000 . 2 . . . A 33 LEU CD2 . 25284 1 367 . 1 1 33 33 LEU N N 15 122.380 0.000 . 1 . . . A 33 LEU N . 25284 1 368 . 1 1 34 34 ARG H H 1 8.487 0.000 . 1 . . . A 34 ARG H . 25284 1 369 . 1 1 34 34 ARG HA H 1 4.725 0.000 . 1 . . . A 34 ARG HA . 25284 1 370 . 1 1 34 34 ARG HB2 H 1 2.173 0.000 . 2 . . . A 34 ARG HB2 . 25284 1 371 . 1 1 34 34 ARG HB3 H 1 1.870 0.000 . 2 . . . A 34 ARG HB3 . 25284 1 372 . 1 1 34 34 ARG HG2 H 1 1.930 0.000 . 2 . . . A 34 ARG HG2 . 25284 1 373 . 1 1 34 34 ARG HG3 H 1 1.621 0.000 . 2 . . . A 34 ARG HG3 . 25284 1 374 . 1 1 34 34 ARG HD2 H 1 3.433 0.000 . 2 . . . A 34 ARG HD2 . 25284 1 375 . 1 1 34 34 ARG HD3 H 1 3.349 0.000 . 2 . . . A 34 ARG HD3 . 25284 1 376 . 1 1 34 34 ARG C C 13 179.778 0.000 . 1 . . . A 34 ARG C . 25284 1 377 . 1 1 34 34 ARG CA C 13 55.536 0.000 . 1 . . . A 34 ARG CA . 25284 1 378 . 1 1 34 34 ARG CB C 13 30.173 0.000 . 1 . . . A 34 ARG CB . 25284 1 379 . 1 1 34 34 ARG CG C 13 28.573 0.000 . 1 . . . A 34 ARG CG . 25284 1 380 . 1 1 34 34 ARG CD C 13 43.613 0.000 . 1 . . . A 34 ARG CD . 25284 1 381 . 1 1 34 34 ARG N N 15 116.439 0.000 . 1 . . . A 34 ARG N . 25284 1 382 . 1 1 35 35 PHE H H 1 8.455 0.000 . 1 . . . A 35 PHE H . 25284 1 383 . 1 1 35 35 PHE HA H 1 4.385 0.000 . 1 . . . A 35 PHE HA . 25284 1 384 . 1 1 35 35 PHE HB2 H 1 3.612 0.000 . 2 . . . A 35 PHE HB2 . 25284 1 385 . 1 1 35 35 PHE HB3 H 1 3.098 0.000 . 2 . . . A 35 PHE HB3 . 25284 1 386 . 1 1 35 35 PHE HZ H 1 6.883 0.000 . 1 . . . A 35 PHE HZ . 25284 1 387 . 1 1 35 35 PHE C C 13 178.776 0.000 . 1 . . . A 35 PHE C . 25284 1 388 . 1 1 35 35 PHE CA C 13 63.121 0.000 . 1 . . . A 35 PHE CA . 25284 1 389 . 1 1 35 35 PHE CB C 13 37.967 0.000 . 1 . . . A 35 PHE CB . 25284 1 390 . 1 1 35 35 PHE CZ C 13 127.812 0.000 . 1 . . . A 35 PHE CZ . 25284 1 391 . 1 1 35 35 PHE N N 15 123.548 0.000 . 1 . . . A 35 PHE N . 25284 1 392 . 1 1 36 36 GLU H H 1 9.560 0.000 . 1 . . . A 36 GLU H . 25284 1 393 . 1 1 36 36 GLU HA H 1 4.358 0.000 . 1 . . . A 36 GLU HA . 25284 1 394 . 1 1 36 36 GLU HB2 H 1 2.294 0.000 . 2 . . . A 36 GLU HB2 . 25284 1 395 . 1 1 36 36 GLU HB3 H 1 2.124 0.000 . 2 . . . A 36 GLU HB3 . 25284 1 396 . 1 1 36 36 GLU HG2 H 1 2.487 0.000 . 1 . . . A 36 GLU HG2 . 25284 1 397 . 1 1 36 36 GLU HG3 H 1 2.487 0.000 . 1 . . . A 36 GLU HG3 . 25284 1 398 . 1 1 36 36 GLU C C 13 178.612 0.000 . 1 . . . A 36 GLU C . 25284 1 399 . 1 1 36 36 GLU CA C 13 59.145 0.000 . 1 . . . A 36 GLU CA . 25284 1 400 . 1 1 36 36 GLU CB C 13 29.301 0.000 . 1 . . . A 36 GLU CB . 25284 1 401 . 1 1 36 36 GLU CG C 13 35.769 0.000 . 1 . . . A 36 GLU CG . 25284 1 402 . 1 1 36 36 GLU N N 15 117.380 0.000 . 1 . . . A 36 GLU N . 25284 1 403 . 1 1 37 37 ASP H H 1 7.546 0.000 . 1 . . . A 37 ASP H . 25284 1 404 . 1 1 37 37 ASP HA H 1 4.810 0.000 . 1 . . . A 37 ASP HA . 25284 1 405 . 1 1 37 37 ASP HB2 H 1 3.088 0.000 . 2 . . . A 37 ASP HB2 . 25284 1 406 . 1 1 37 37 ASP HB3 H 1 3.010 0.000 . 2 . . . A 37 ASP HB3 . 25284 1 407 . 1 1 37 37 ASP C C 13 177.993 0.000 . 1 . . . A 37 ASP C . 25284 1 408 . 1 1 37 37 ASP CA C 13 56.474 0.000 . 1 . . . A 37 ASP CA . 25284 1 409 . 1 1 37 37 ASP CB C 13 41.411 0.000 . 1 . . . A 37 ASP CB . 25284 1 410 . 1 1 37 37 ASP N N 15 118.596 0.000 . 1 . . . A 37 ASP N . 25284 1 411 . 1 1 38 38 ILE H H 1 7.725 0.000 . 1 . . . A 38 ILE H . 25284 1 412 . 1 1 38 38 ILE HA H 1 4.663 0.000 . 1 . . . A 38 ILE HA . 25284 1 413 . 1 1 38 38 ILE HB H 1 2.456 0.000 . 1 . . . A 38 ILE HB . 25284 1 414 . 1 1 38 38 ILE HG12 H 1 1.824 0.000 . 2 . . . A 38 ILE HG12 . 25284 1 415 . 1 1 38 38 ILE HG13 H 1 1.553 0.000 . 2 . . . A 38 ILE HG13 . 25284 1 416 . 1 1 38 38 ILE HG21 H 1 1.065 0.000 . 1 . . . A 38 ILE HG21 . 25284 1 417 . 1 1 38 38 ILE HG22 H 1 1.065 0.000 . 1 . . . A 38 ILE HG22 . 25284 1 418 . 1 1 38 38 ILE HG23 H 1 1.065 0.000 . 1 . . . A 38 ILE HG23 . 25284 1 419 . 1 1 38 38 ILE HD11 H 1 0.881 0.000 . 1 . . . A 38 ILE HD11 . 25284 1 420 . 1 1 38 38 ILE HD12 H 1 0.881 0.000 . 1 . . . A 38 ILE HD12 . 25284 1 421 . 1 1 38 38 ILE HD13 H 1 0.881 0.000 . 1 . . . A 38 ILE HD13 . 25284 1 422 . 1 1 38 38 ILE C C 13 176.140 0.000 . 1 . . . A 38 ILE C . 25284 1 423 . 1 1 38 38 ILE CA C 13 62.038 0.000 . 1 . . . A 38 ILE CA . 25284 1 424 . 1 1 38 38 ILE CB C 13 38.755 0.000 . 1 . . . A 38 ILE CB . 25284 1 425 . 1 1 38 38 ILE CG1 C 13 27.499 0.000 . 1 . . . A 38 ILE CG1 . 25284 1 426 . 1 1 38 38 ILE CG2 C 13 18.830 0.000 . 1 . . . A 38 ILE CG2 . 25284 1 427 . 1 1 38 38 ILE CD1 C 13 13.995 0.000 . 1 . . . A 38 ILE CD1 . 25284 1 428 . 1 1 38 38 ILE N N 15 113.080 0.000 . 1 . . . A 38 ILE N . 25284 1 429 . 1 1 39 39 GLY H H 1 7.736 0.000 . 1 . . . A 39 GLY H . 25284 1 430 . 1 1 39 39 GLY HA2 H 1 4.261 0.000 . 2 . . . A 39 GLY HA2 . 25284 1 431 . 1 1 39 39 GLY HA3 H 1 3.891 0.000 . 2 . . . A 39 GLY HA3 . 25284 1 432 . 1 1 39 39 GLY C C 13 174.497 0.000 . 1 . . . A 39 GLY C . 25284 1 433 . 1 1 39 39 GLY CA C 13 46.580 0.000 . 1 . . . A 39 GLY CA . 25284 1 434 . 1 1 39 39 GLY N N 15 107.376 0.000 . 1 . . . A 39 GLY N . 25284 1 435 . 1 1 40 40 TYR H H 1 8.059 0.000 . 1 . . . A 40 TYR H . 25284 1 436 . 1 1 40 40 TYR HA H 1 4.583 0.000 . 1 . . . A 40 TYR HA . 25284 1 437 . 1 1 40 40 TYR HB2 H 1 3.006 0.000 . 2 . . . A 40 TYR HB2 . 25284 1 438 . 1 1 40 40 TYR HB3 H 1 2.795 0.000 . 2 . . . A 40 TYR HB3 . 25284 1 439 . 1 1 40 40 TYR C C 13 174.479 0.000 . 1 . . . A 40 TYR C . 25284 1 440 . 1 1 40 40 TYR CA C 13 58.153 0.000 . 1 . . . A 40 TYR CA . 25284 1 441 . 1 1 40 40 TYR CB C 13 40.535 0.000 . 1 . . . A 40 TYR CB . 25284 1 442 . 1 1 40 40 TYR N N 15 121.883 0.000 . 1 . . . A 40 TYR N . 25284 1 443 . 1 1 41 41 ASP H H 1 7.992 0.000 . 1 . . . A 41 ASP H . 25284 1 444 . 1 1 41 41 ASP HA H 1 4.739 0.000 . 1 . . . A 41 ASP HA . 25284 1 445 . 1 1 41 41 ASP HB2 H 1 3.280 0.000 . 2 . . . A 41 ASP HB2 . 25284 1 446 . 1 1 41 41 ASP HB3 H 1 2.846 0.000 . 2 . . . A 41 ASP HB3 . 25284 1 447 . 1 1 41 41 ASP C C 13 175.831 0.000 . 1 . . . A 41 ASP C . 25284 1 448 . 1 1 41 41 ASP CA C 13 52.669 0.000 . 1 . . . A 41 ASP CA . 25284 1 449 . 1 1 41 41 ASP CB C 13 42.015 0.000 . 1 . . . A 41 ASP CB . 25284 1 450 . 1 1 41 41 ASP N N 15 124.021 0.000 . 1 . . . A 41 ASP N . 25284 1 451 . 1 1 42 42 SER HA H 1 4.272 0.000 . 1 . . . A 42 SER HA . 25284 1 452 . 1 1 42 42 SER HB2 H 1 4.191 0.000 . 2 . . . A 42 SER HB2 . 25284 1 453 . 1 1 42 42 SER HB3 H 1 4.350 0.000 . 2 . . . A 42 SER HB3 . 25284 1 454 . 1 1 42 42 SER C C 13 176.102 0.000 . 1 . . . A 42 SER C . 25284 1 455 . 1 1 42 42 SER CA C 13 60.657 0.000 . 1 . . . A 42 SER CA . 25284 1 456 . 1 1 42 42 SER CB C 13 66.110 0.000 . 1 . . . A 42 SER CB . 25284 1 457 . 1 1 42 42 SER N N 15 114.198 0.000 . 1 . . . A 42 SER N . 25284 1 458 . 1 1 43 43 LEU H H 1 7.792 0.000 . 1 . . . A 43 LEU H . 25284 1 459 . 1 1 43 43 LEU HA H 1 4.269 0.000 . 1 . . . A 43 LEU HA . 25284 1 460 . 1 1 43 43 LEU HB2 H 1 1.907 0.000 . 2 . . . A 43 LEU HB2 . 25284 1 461 . 1 1 43 43 LEU HB3 H 1 1.841 0.000 . 2 . . . A 43 LEU HB3 . 25284 1 462 . 1 1 43 43 LEU HG H 1 1.763 0.000 . 1 . . . A 43 LEU HG . 25284 1 463 . 1 1 43 43 LEU HD11 H 1 0.996 0.000 . 2 . . . A 43 LEU HD11 . 25284 1 464 . 1 1 43 43 LEU HD12 H 1 0.996 0.000 . 2 . . . A 43 LEU HD12 . 25284 1 465 . 1 1 43 43 LEU HD13 H 1 0.996 0.000 . 2 . . . A 43 LEU HD13 . 25284 1 466 . 1 1 43 43 LEU HD21 H 1 1.049 0.000 . 2 . . . A 43 LEU HD21 . 25284 1 467 . 1 1 43 43 LEU HD22 H 1 1.049 0.000 . 2 . . . A 43 LEU HD22 . 25284 1 468 . 1 1 43 43 LEU HD23 H 1 1.049 0.000 . 2 . . . A 43 LEU HD23 . 25284 1 469 . 1 1 43 43 LEU C C 13 179.140 0.000 . 1 . . . A 43 LEU C . 25284 1 470 . 1 1 43 43 LEU CA C 13 58.567 0.000 . 1 . . . A 43 LEU CA . 25284 1 471 . 1 1 43 43 LEU CB C 13 41.178 0.000 . 1 . . . A 43 LEU CB . 25284 1 472 . 1 1 43 43 LEU CG C 13 27.617 0.000 . 1 . . . A 43 LEU CG . 25284 1 473 . 1 1 43 43 LEU CD1 C 13 24.665 0.000 . 2 . . . A 43 LEU CD1 . 25284 1 474 . 1 1 43 43 LEU CD2 C 13 24.930 0.000 . 2 . . . A 43 LEU CD2 . 25284 1 475 . 1 1 43 43 LEU N N 15 124.254 0.000 . 1 . . . A 43 LEU N . 25284 1 476 . 1 1 44 44 ALA H H 1 8.140 0.000 . 1 . . . A 44 ALA H . 25284 1 477 . 1 1 44 44 ALA HA H 1 4.318 0.000 . 1 . . . A 44 ALA HA . 25284 1 478 . 1 1 44 44 ALA HB1 H 1 1.519 0.000 . 1 . . . A 44 ALA HB1 . 25284 1 479 . 1 1 44 44 ALA HB2 H 1 1.519 0.000 . 1 . . . A 44 ALA HB2 . 25284 1 480 . 1 1 44 44 ALA HB3 H 1 1.519 0.000 . 1 . . . A 44 ALA HB3 . 25284 1 481 . 1 1 44 44 ALA C C 13 181.903 0.000 . 1 . . . A 44 ALA C . 25284 1 482 . 1 1 44 44 ALA CA C 13 55.068 0.000 . 1 . . . A 44 ALA CA . 25284 1 483 . 1 1 44 44 ALA CB C 13 18.556 0.000 . 1 . . . A 44 ALA CB . 25284 1 484 . 1 1 44 44 ALA N N 15 123.473 0.000 . 1 . . . A 44 ALA N . 25284 1 485 . 1 1 45 45 LEU H H 1 8.442 0.000 . 1 . . . A 45 LEU H . 25284 1 486 . 1 1 45 45 LEU HA H 1 3.898 0.000 . 1 . . . A 45 LEU HA . 25284 1 487 . 1 1 45 45 LEU HB2 H 1 1.607 0.000 . 2 . . . A 45 LEU HB2 . 25284 1 488 . 1 1 45 45 LEU HB3 H 1 1.534 0.000 . 2 . . . A 45 LEU HB3 . 25284 1 489 . 1 1 45 45 LEU HG H 1 1.354 0.000 . 1 . . . A 45 LEU HG . 25284 1 490 . 1 1 45 45 LEU HD11 H 1 0.199 0.000 . 2 . . . A 45 LEU HD11 . 25284 1 491 . 1 1 45 45 LEU HD12 H 1 0.199 0.000 . 2 . . . A 45 LEU HD12 . 25284 1 492 . 1 1 45 45 LEU HD13 H 1 0.199 0.000 . 2 . . . A 45 LEU HD13 . 25284 1 493 . 1 1 45 45 LEU HD21 H 1 0.370 0.000 . 2 . . . A 45 LEU HD21 . 25284 1 494 . 1 1 45 45 LEU HD22 H 1 0.370 0.000 . 2 . . . A 45 LEU HD22 . 25284 1 495 . 1 1 45 45 LEU HD23 H 1 0.370 0.000 . 2 . . . A 45 LEU HD23 . 25284 1 496 . 1 1 45 45 LEU C C 13 179.040 0.000 . 1 . . . A 45 LEU C . 25284 1 497 . 1 1 45 45 LEU CA C 13 58.475 0.000 . 1 . . . A 45 LEU CA . 25284 1 498 . 1 1 45 45 LEU CB C 13 41.780 0.000 . 1 . . . A 45 LEU CB . 25284 1 499 . 1 1 45 45 LEU CG C 13 27.038 0.000 . 1 . . . A 45 LEU CG . 25284 1 500 . 1 1 45 45 LEU CD1 C 13 23.238 0.000 . 2 . . . A 45 LEU CD1 . 25284 1 501 . 1 1 45 45 LEU CD2 C 13 23.876 0.000 . 2 . . . A 45 LEU CD2 . 25284 1 502 . 1 1 45 45 LEU N N 15 121.524 0.000 . 1 . . . A 45 LEU N . 25284 1 503 . 1 1 46 46 MET H H 1 8.234 0.000 . 1 . . . A 46 MET H . 25284 1 504 . 1 1 46 46 MET HA H 1 4.265 0.000 . 1 . . . A 46 MET HA . 25284 1 505 . 1 1 46 46 MET HB2 H 1 2.324 0.000 . 2 . . . A 46 MET HB2 . 25284 1 506 . 1 1 46 46 MET HB3 H 1 2.303 0.000 . 2 . . . A 46 MET HB3 . 25284 1 507 . 1 1 46 46 MET HG2 H 1 2.833 0.000 . 2 . . . A 46 MET HG2 . 25284 1 508 . 1 1 46 46 MET HG3 H 1 2.752 0.000 . 2 . . . A 46 MET HG3 . 25284 1 509 . 1 1 46 46 MET C C 13 180.609 0.000 . 1 . . . A 46 MET C . 25284 1 510 . 1 1 46 46 MET CA C 13 58.853 0.000 . 1 . . . A 46 MET CA . 25284 1 511 . 1 1 46 46 MET CB C 13 32.119 0.000 . 1 . . . A 46 MET CB . 25284 1 512 . 1 1 46 46 MET CG C 13 32.410 0.000 . 1 . . . A 46 MET CG . 25284 1 513 . 1 1 46 46 MET N N 15 119.769 0.000 . 1 . . . A 46 MET N . 25284 1 514 . 1 1 47 47 GLU H H 1 8.517 0.000 . 1 . . . A 47 GLU H . 25284 1 515 . 1 1 47 47 GLU HA H 1 4.228 0.000 . 1 . . . A 47 GLU HA . 25284 1 516 . 1 1 47 47 GLU HB2 H 1 2.341 0.000 . 2 . . . A 47 GLU HB2 . 25284 1 517 . 1 1 47 47 GLU HB3 H 1 2.193 0.000 . 2 . . . A 47 GLU HB3 . 25284 1 518 . 1 1 47 47 GLU HG2 H 1 2.612 0.000 . 2 . . . A 47 GLU HG2 . 25284 1 519 . 1 1 47 47 GLU HG3 H 1 2.450 0.000 . 2 . . . A 47 GLU HG3 . 25284 1 520 . 1 1 47 47 GLU C C 13 179.333 0.000 . 1 . . . A 47 GLU C . 25284 1 521 . 1 1 47 47 GLU CA C 13 59.644 0.000 . 1 . . . A 47 GLU CA . 25284 1 522 . 1 1 47 47 GLU CB C 13 28.977 0.000 . 1 . . . A 47 GLU CB . 25284 1 523 . 1 1 47 47 GLU CG C 13 35.738 0.000 . 1 . . . A 47 GLU CG . 25284 1 524 . 1 1 47 47 GLU N N 15 121.097 0.000 . 1 . . . A 47 GLU N . 25284 1 525 . 1 1 48 48 THR H H 1 8.325 0.000 . 1 . . . A 48 THR H . 25284 1 526 . 1 1 48 48 THR HA H 1 3.961 0.000 . 1 . . . A 48 THR HA . 25284 1 527 . 1 1 48 48 THR HB H 1 4.424 0.000 . 1 . . . A 48 THR HB . 25284 1 528 . 1 1 48 48 THR HG21 H 1 1.126 0.000 . 1 . . . A 48 THR HG21 . 25284 1 529 . 1 1 48 48 THR HG22 H 1 1.126 0.000 . 1 . . . A 48 THR HG22 . 25284 1 530 . 1 1 48 48 THR HG23 H 1 1.126 0.000 . 1 . . . A 48 THR HG23 . 25284 1 531 . 1 1 48 48 THR C C 13 176.348 0.000 . 1 . . . A 48 THR C . 25284 1 532 . 1 1 48 48 THR CA C 13 67.842 0.000 . 1 . . . A 48 THR CA . 25284 1 533 . 1 1 48 48 THR CB C 13 68.056 0.000 . 1 . . . A 48 THR CB . 25284 1 534 . 1 1 48 48 THR CG2 C 13 20.974 0.000 . 1 . . . A 48 THR CG2 . 25284 1 535 . 1 1 48 48 THR N N 15 118.834 0.000 . 1 . . . A 48 THR N . 25284 1 536 . 1 1 49 49 ALA H H 1 8.747 0.000 . 1 . . . A 49 ALA H . 25284 1 537 . 1 1 49 49 ALA HA H 1 3.926 0.000 . 1 . . . A 49 ALA HA . 25284 1 538 . 1 1 49 49 ALA HB1 H 1 1.540 0.000 . 1 . . . A 49 ALA HB1 . 25284 1 539 . 1 1 49 49 ALA HB2 H 1 1.540 0.000 . 1 . . . A 49 ALA HB2 . 25284 1 540 . 1 1 49 49 ALA HB3 H 1 1.540 0.000 . 1 . . . A 49 ALA HB3 . 25284 1 541 . 1 1 49 49 ALA C C 13 178.608 0.000 . 1 . . . A 49 ALA C . 25284 1 542 . 1 1 49 49 ALA CA C 13 56.247 0.000 . 1 . . . A 49 ALA CA . 25284 1 543 . 1 1 49 49 ALA CB C 13 17.569 0.000 . 1 . . . A 49 ALA CB . 25284 1 544 . 1 1 49 49 ALA N N 15 123.924 0.000 . 1 . . . A 49 ALA N . 25284 1 545 . 1 1 50 50 ALA H H 1 8.245 0.000 . 1 . . . A 50 ALA H . 25284 1 546 . 1 1 50 50 ALA HA H 1 4.269 0.000 . 1 . . . A 50 ALA HA . 25284 1 547 . 1 1 50 50 ALA HB1 H 1 1.654 0.000 . 1 . . . A 50 ALA HB1 . 25284 1 548 . 1 1 50 50 ALA HB2 H 1 1.654 0.000 . 1 . . . A 50 ALA HB2 . 25284 1 549 . 1 1 50 50 ALA HB3 H 1 1.654 0.000 . 1 . . . A 50 ALA HB3 . 25284 1 550 . 1 1 50 50 ALA C C 13 181.310 0.000 . 1 . . . A 50 ALA C . 25284 1 551 . 1 1 50 50 ALA CA C 13 55.422 0.000 . 1 . . . A 50 ALA CA . 25284 1 552 . 1 1 50 50 ALA CB C 13 18.171 0.000 . 1 . . . A 50 ALA CB . 25284 1 553 . 1 1 50 50 ALA N N 15 119.691 0.000 . 1 . . . A 50 ALA N . 25284 1 554 . 1 1 51 51 ARG H H 1 8.129 0.000 . 1 . . . A 51 ARG H . 25284 1 555 . 1 1 51 51 ARG HA H 1 4.247 0.000 . 1 . . . A 51 ARG HA . 25284 1 556 . 1 1 51 51 ARG HB2 H 1 2.196 0.000 . 2 . . . A 51 ARG HB2 . 25284 1 557 . 1 1 51 51 ARG HB3 H 1 2.034 0.000 . 2 . . . A 51 ARG HB3 . 25284 1 558 . 1 1 51 51 ARG HG2 H 1 1.992 0.000 . 2 . . . A 51 ARG HG2 . 25284 1 559 . 1 1 51 51 ARG HG3 H 1 1.739 0.000 . 2 . . . A 51 ARG HG3 . 25284 1 560 . 1 1 51 51 ARG HD2 H 1 3.445 0.000 . 2 . . . A 51 ARG HD2 . 25284 1 561 . 1 1 51 51 ARG HD3 H 1 3.299 0.000 . 2 . . . A 51 ARG HD3 . 25284 1 562 . 1 1 51 51 ARG C C 13 179.808 0.000 . 1 . . . A 51 ARG C . 25284 1 563 . 1 1 51 51 ARG CA C 13 59.673 0.000 . 1 . . . A 51 ARG CA . 25284 1 564 . 1 1 51 51 ARG CB C 13 30.539 0.000 . 1 . . . A 51 ARG CB . 25284 1 565 . 1 1 51 51 ARG CG C 13 28.373 0.000 . 1 . . . A 51 ARG CG . 25284 1 566 . 1 1 51 51 ARG CD C 13 43.785 0.000 . 1 . . . A 51 ARG CD . 25284 1 567 . 1 1 51 51 ARG N N 15 119.913 0.000 . 1 . . . A 51 ARG N . 25284 1 568 . 1 1 52 52 LEU H H 1 8.423 0.000 . 1 . . . A 52 LEU H . 25284 1 569 . 1 1 52 52 LEU HA H 1 4.319 0.000 . 1 . . . A 52 LEU HA . 25284 1 570 . 1 1 52 52 LEU HB2 H 1 2.223 0.000 . 2 . . . A 52 LEU HB2 . 25284 1 571 . 1 1 52 52 LEU HB3 H 1 1.442 0.000 . 2 . . . A 52 LEU HB3 . 25284 1 572 . 1 1 52 52 LEU HG H 1 2.046 0.000 . 1 . . . A 52 LEU HG . 25284 1 573 . 1 1 52 52 LEU HD11 H 1 0.862 0.000 . 2 . . . A 52 LEU HD11 . 25284 1 574 . 1 1 52 52 LEU HD12 H 1 0.862 0.000 . 2 . . . A 52 LEU HD12 . 25284 1 575 . 1 1 52 52 LEU HD13 H 1 0.862 0.000 . 2 . . . A 52 LEU HD13 . 25284 1 576 . 1 1 52 52 LEU HD21 H 1 1.040 0.000 . 2 . . . A 52 LEU HD21 . 25284 1 577 . 1 1 52 52 LEU HD22 H 1 1.040 0.000 . 2 . . . A 52 LEU HD22 . 25284 1 578 . 1 1 52 52 LEU HD23 H 1 1.040 0.000 . 2 . . . A 52 LEU HD23 . 25284 1 579 . 1 1 52 52 LEU C C 13 179.192 0.000 . 1 . . . A 52 LEU C . 25284 1 580 . 1 1 52 52 LEU CA C 13 58.253 0.000 . 1 . . . A 52 LEU CA . 25284 1 581 . 1 1 52 52 LEU CB C 13 42.812 0.000 . 1 . . . A 52 LEU CB . 25284 1 582 . 1 1 52 52 LEU CG C 13 26.788 0.000 . 1 . . . A 52 LEU CG . 25284 1 583 . 1 1 52 52 LEU CD1 C 13 26.581 0.000 . 2 . . . A 52 LEU CD1 . 25284 1 584 . 1 1 52 52 LEU CD2 C 13 23.778 0.000 . 2 . . . A 52 LEU CD2 . 25284 1 585 . 1 1 52 52 LEU N N 15 120.624 0.000 . 1 . . . A 52 LEU N . 25284 1 586 . 1 1 53 53 GLU H H 1 8.974 0.000 . 1 . . . A 53 GLU H . 25284 1 587 . 1 1 53 53 GLU HA H 1 4.108 0.000 . 1 . . . A 53 GLU HA . 25284 1 588 . 1 1 53 53 GLU HB2 H 1 2.490 0.000 . 2 . . . A 53 GLU HB2 . 25284 1 589 . 1 1 53 53 GLU HB3 H 1 2.391 0.000 . 2 . . . A 53 GLU HB3 . 25284 1 590 . 1 1 53 53 GLU HG2 H 1 2.753 0.000 . 2 . . . A 53 GLU HG2 . 25284 1 591 . 1 1 53 53 GLU HG3 H 1 2.316 0.000 . 2 . . . A 53 GLU HG3 . 25284 1 592 . 1 1 53 53 GLU C C 13 179.388 0.000 . 1 . . . A 53 GLU C . 25284 1 593 . 1 1 53 53 GLU CA C 13 60.211 0.000 . 1 . . . A 53 GLU CA . 25284 1 594 . 1 1 53 53 GLU CB C 13 29.143 0.000 . 1 . . . A 53 GLU CB . 25284 1 595 . 1 1 53 53 GLU CG C 13 34.950 0.000 . 1 . . . A 53 GLU CG . 25284 1 596 . 1 1 53 53 GLU N N 15 119.779 0.000 . 1 . . . A 53 GLU N . 25284 1 597 . 1 1 54 54 SER H H 1 8.037 0.000 . 1 . . . A 54 SER H . 25284 1 598 . 1 1 54 54 SER HA H 1 4.384 0.000 . 1 . . . A 54 SER HA . 25284 1 599 . 1 1 54 54 SER HB2 H 1 4.112 0.000 . 1 . . . A 54 SER HB2 . 25284 1 600 . 1 1 54 54 SER HB3 H 1 4.112 0.000 . 1 . . . A 54 SER HB3 . 25284 1 601 . 1 1 54 54 SER C C 13 176.953 0.000 . 1 . . . A 54 SER C . 25284 1 602 . 1 1 54 54 SER CA C 13 61.279 0.000 . 1 . . . A 54 SER CA . 25284 1 603 . 1 1 54 54 SER CB C 13 63.402 0.000 . 1 . . . A 54 SER CB . 25284 1 604 . 1 1 54 54 SER N N 15 113.169 0.000 . 1 . . . A 54 SER N . 25284 1 605 . 1 1 55 55 ARG H H 1 8.099 0.000 . 1 . . . A 55 ARG H . 25284 1 606 . 1 1 55 55 ARG HA H 1 4.100 0.000 . 1 . . . A 55 ARG HA . 25284 1 607 . 1 1 55 55 ARG HB2 H 1 1.896 0.000 . 2 . . . A 55 ARG HB2 . 25284 1 608 . 1 1 55 55 ARG HB3 H 1 1.609 0.000 . 2 . . . A 55 ARG HB3 . 25284 1 609 . 1 1 55 55 ARG HG2 H 1 1.353 0.000 . 2 . . . A 55 ARG HG2 . 25284 1 610 . 1 1 55 55 ARG HG3 H 1 0.972 0.000 . 2 . . . A 55 ARG HG3 . 25284 1 611 . 1 1 55 55 ARG HD2 H 1 3.109 0.000 . 2 . . . A 55 ARG HD2 . 25284 1 612 . 1 1 55 55 ARG HD3 H 1 3.047 0.000 . 2 . . . A 55 ARG HD3 . 25284 1 613 . 1 1 55 55 ARG C C 13 177.905 0.000 . 1 . . . A 55 ARG C . 25284 1 614 . 1 1 55 55 ARG CA C 13 58.949 0.000 . 1 . . . A 55 ARG CA . 25284 1 615 . 1 1 55 55 ARG CB C 13 30.896 0.000 . 1 . . . A 55 ARG CB . 25284 1 616 . 1 1 55 55 ARG CG C 13 27.014 0.000 . 1 . . . A 55 ARG CG . 25284 1 617 . 1 1 55 55 ARG CD C 13 43.613 0.000 . 1 . . . A 55 ARG CD . 25284 1 618 . 1 1 55 55 ARG N N 15 120.851 0.000 . 1 . . . A 55 ARG N . 25284 1 619 . 1 1 56 56 TYR H H 1 8.158 0.000 . 1 . . . A 56 TYR H . 25284 1 620 . 1 1 56 56 TYR HA H 1 4.687 0.000 . 1 . . . A 56 TYR HA . 25284 1 621 . 1 1 56 56 TYR HB2 H 1 3.452 0.000 . 2 . . . A 56 TYR HB2 . 25284 1 622 . 1 1 56 56 TYR HB3 H 1 2.801 0.000 . 2 . . . A 56 TYR HB3 . 25284 1 623 . 1 1 56 56 TYR C C 13 176.069 0.000 . 1 . . . A 56 TYR C . 25284 1 624 . 1 1 56 56 TYR CA C 13 59.055 0.000 . 1 . . . A 56 TYR CA . 25284 1 625 . 1 1 56 56 TYR CB C 13 39.465 0.000 . 1 . . . A 56 TYR CB . 25284 1 626 . 1 1 56 56 TYR N N 15 113.669 0.000 . 1 . . . A 56 TYR N . 25284 1 627 . 1 1 57 57 GLY H H 1 7.982 0.000 . 1 . . . A 57 GLY H . 25284 1 628 . 1 1 57 57 GLY HA2 H 1 4.095 0.000 . 1 . . . A 57 GLY HA2 . 25284 1 629 . 1 1 57 57 GLY HA3 H 1 4.095 0.000 . 1 . . . A 57 GLY HA3 . 25284 1 630 . 1 1 57 57 GLY C C 13 174.642 0.000 . 1 . . . A 57 GLY C . 25284 1 631 . 1 1 57 57 GLY CA C 13 47.476 0.000 . 1 . . . A 57 GLY CA . 25284 1 632 . 1 1 57 57 GLY N N 15 109.856 0.000 . 1 . . . A 57 GLY N . 25284 1 633 . 1 1 58 58 VAL H H 1 7.497 0.000 . 1 . . . A 58 VAL H . 25284 1 634 . 1 1 58 58 VAL HA H 1 4.676 0.000 . 1 . . . A 58 VAL HA . 25284 1 635 . 1 1 58 58 VAL HB H 1 2.133 0.000 . 1 . . . A 58 VAL HB . 25284 1 636 . 1 1 58 58 VAL HG11 H 1 0.941 0.000 . 2 . . . A 58 VAL HG11 . 25284 1 637 . 1 1 58 58 VAL HG12 H 1 0.941 0.000 . 2 . . . A 58 VAL HG12 . 25284 1 638 . 1 1 58 58 VAL HG13 H 1 0.941 0.000 . 2 . . . A 58 VAL HG13 . 25284 1 639 . 1 1 58 58 VAL HG21 H 1 0.981 0.000 . 2 . . . A 58 VAL HG21 . 25284 1 640 . 1 1 58 58 VAL HG22 H 1 0.981 0.000 . 2 . . . A 58 VAL HG22 . 25284 1 641 . 1 1 58 58 VAL HG23 H 1 0.981 0.000 . 2 . . . A 58 VAL HG23 . 25284 1 642 . 1 1 58 58 VAL C C 13 174.069 0.000 . 1 . . . A 58 VAL C . 25284 1 643 . 1 1 58 58 VAL CA C 13 59.313 0.000 . 1 . . . A 58 VAL CA . 25284 1 644 . 1 1 58 58 VAL CB C 13 34.744 0.000 . 1 . . . A 58 VAL CB . 25284 1 645 . 1 1 58 58 VAL CG1 C 13 19.580 0.000 . 2 . . . A 58 VAL CG1 . 25284 1 646 . 1 1 58 58 VAL CG2 C 13 21.706 0.000 . 2 . . . A 58 VAL CG2 . 25284 1 647 . 1 1 58 58 VAL N N 15 112.572 0.000 . 1 . . . A 58 VAL N . 25284 1 648 . 1 1 59 59 SER H H 1 8.489 0.000 . 1 . . . A 59 SER H . 25284 1 649 . 1 1 59 59 SER HA H 1 4.846 0.000 . 1 . . . A 59 SER HA . 25284 1 650 . 1 1 59 59 SER HB2 H 1 3.798 0.000 . 2 . . . A 59 SER HB2 . 25284 1 651 . 1 1 59 59 SER HB3 H 1 3.757 0.000 . 2 . . . A 59 SER HB3 . 25284 1 652 . 1 1 59 59 SER C C 13 173.699 0.000 . 1 . . . A 59 SER C . 25284 1 653 . 1 1 59 59 SER CA C 13 57.401 0.000 . 1 . . . A 59 SER CA . 25284 1 654 . 1 1 59 59 SER CB C 13 64.502 0.000 . 1 . . . A 59 SER CB . 25284 1 655 . 1 1 59 59 SER N N 15 117.179 0.000 . 1 . . . A 59 SER N . 25284 1 656 . 1 1 60 60 ILE H H 1 8.222 0.000 . 1 . . . A 60 ILE H . 25284 1 657 . 1 1 60 60 ILE HA H 1 4.651 0.000 . 1 . . . A 60 ILE HA . 25284 1 658 . 1 1 60 60 ILE HB H 1 1.790 0.000 . 1 . . . A 60 ILE HB . 25284 1 659 . 1 1 60 60 ILE HG12 H 1 1.486 0.000 . 2 . . . A 60 ILE HG12 . 25284 1 660 . 1 1 60 60 ILE HG13 H 1 1.107 0.000 . 2 . . . A 60 ILE HG13 . 25284 1 661 . 1 1 60 60 ILE HG21 H 1 1.021 0.000 . 1 . . . A 60 ILE HG21 . 25284 1 662 . 1 1 60 60 ILE HG22 H 1 1.021 0.000 . 1 . . . A 60 ILE HG22 . 25284 1 663 . 1 1 60 60 ILE HG23 H 1 1.021 0.000 . 1 . . . A 60 ILE HG23 . 25284 1 664 . 1 1 60 60 ILE HD11 H 1 0.845 0.000 . 1 . . . A 60 ILE HD11 . 25284 1 665 . 1 1 60 60 ILE HD12 H 1 0.845 0.000 . 1 . . . A 60 ILE HD12 . 25284 1 666 . 1 1 60 60 ILE HD13 H 1 0.845 0.000 . 1 . . . A 60 ILE HD13 . 25284 1 667 . 1 1 60 60 ILE CA C 13 57.694 0.000 . 1 . . . A 60 ILE CA . 25284 1 668 . 1 1 60 60 ILE CB C 13 40.500 0.000 . 1 . . . A 60 ILE CB . 25284 1 669 . 1 1 60 60 ILE CG1 C 13 27.117 0.000 . 1 . . . A 60 ILE CG1 . 25284 1 670 . 1 1 60 60 ILE CG2 C 13 17.447 0.000 . 1 . . . A 60 ILE CG2 . 25284 1 671 . 1 1 60 60 ILE CD1 C 13 13.833 0.000 . 1 . . . A 60 ILE CD1 . 25284 1 672 . 1 1 60 60 ILE N N 15 125.858 0.000 . 1 . . . A 60 ILE N . 25284 1 673 . 1 1 61 61 PRO HA H 1 4.530 0.000 . 1 . . . A 61 PRO HA . 25284 1 674 . 1 1 61 61 PRO HB2 H 1 2.542 0.000 . 2 . . . A 61 PRO HB2 . 25284 1 675 . 1 1 61 61 PRO HB3 H 1 2.066 0.000 . 2 . . . A 61 PRO HB3 . 25284 1 676 . 1 1 61 61 PRO HG2 H 1 2.119 0.000 . 1 . . . A 61 PRO HG2 . 25284 1 677 . 1 1 61 61 PRO HG3 H 1 2.119 0.000 . 1 . . . A 61 PRO HG3 . 25284 1 678 . 1 1 61 61 PRO HD2 H 1 4.012 0.000 . 2 . . . A 61 PRO HD2 . 25284 1 679 . 1 1 61 61 PRO HD3 H 1 3.566 0.000 . 2 . . . A 61 PRO HD3 . 25284 1 680 . 1 1 61 61 PRO C C 13 177.512 0.000 . 1 . . . A 61 PRO C . 25284 1 681 . 1 1 61 61 PRO CA C 13 63.561 0.000 . 1 . . . A 61 PRO CA . 25284 1 682 . 1 1 61 61 PRO CB C 13 32.770 0.000 . 1 . . . A 61 PRO CB . 25284 1 683 . 1 1 61 61 PRO CG C 13 28.093 0.000 . 1 . . . A 61 PRO CG . 25284 1 684 . 1 1 61 61 PRO CD C 13 51.460 0.000 . 1 . . . A 61 PRO CD . 25284 1 685 . 1 1 62 62 ASP H H 1 8.831 0.000 . 1 . . . A 62 ASP H . 25284 1 686 . 1 1 62 62 ASP HA H 1 4.449 0.000 . 1 . . . A 62 ASP HA . 25284 1 687 . 1 1 62 62 ASP HB2 H 1 2.837 0.000 . 2 . . . A 62 ASP HB2 . 25284 1 688 . 1 1 62 62 ASP HB3 H 1 2.764 0.000 . 2 . . . A 62 ASP HB3 . 25284 1 689 . 1 1 62 62 ASP C C 13 177.284 0.000 . 1 . . . A 62 ASP C . 25284 1 690 . 1 1 62 62 ASP CA C 13 57.112 0.000 . 1 . . . A 62 ASP CA . 25284 1 691 . 1 1 62 62 ASP CB C 13 40.740 0.000 . 1 . . . A 62 ASP CB . 25284 1 692 . 1 1 62 62 ASP N N 15 123.459 0.000 . 1 . . . A 62 ASP N . 25284 1 693 . 1 1 63 63 ASP H H 1 8.617 0.000 . 1 . . . A 63 ASP H . 25284 1 694 . 1 1 63 63 ASP HA H 1 4.529 0.000 . 1 . . . A 63 ASP HA . 25284 1 695 . 1 1 63 63 ASP HB2 H 1 2.812 0.000 . 2 . . . A 63 ASP HB2 . 25284 1 696 . 1 1 63 63 ASP HB3 H 1 2.763 0.000 . 2 . . . A 63 ASP HB3 . 25284 1 697 . 1 1 63 63 ASP C C 13 177.294 0.000 . 1 . . . A 63 ASP C . 25284 1 698 . 1 1 63 63 ASP CA C 13 54.956 0.000 . 1 . . . A 63 ASP CA . 25284 1 699 . 1 1 63 63 ASP CB C 13 39.687 0.000 . 1 . . . A 63 ASP CB . 25284 1 700 . 1 1 63 63 ASP N N 15 116.794 0.000 . 1 . . . A 63 ASP N . 25284 1 701 . 1 1 64 64 VAL H H 1 7.407 0.000 . 1 . . . A 64 VAL H . 25284 1 702 . 1 1 64 64 VAL HA H 1 3.812 0.000 . 1 . . . A 64 VAL HA . 25284 1 703 . 1 1 64 64 VAL HB H 1 2.218 0.000 . 1 . . . A 64 VAL HB . 25284 1 704 . 1 1 64 64 VAL HG11 H 1 0.985 0.000 . 2 . . . A 64 VAL HG11 . 25284 1 705 . 1 1 64 64 VAL HG12 H 1 0.985 0.000 . 2 . . . A 64 VAL HG12 . 25284 1 706 . 1 1 64 64 VAL HG13 H 1 0.985 0.000 . 2 . . . A 64 VAL HG13 . 25284 1 707 . 1 1 64 64 VAL HG21 H 1 1.027 0.000 . 2 . . . A 64 VAL HG21 . 25284 1 708 . 1 1 64 64 VAL HG22 H 1 1.027 0.000 . 2 . . . A 64 VAL HG22 . 25284 1 709 . 1 1 64 64 VAL HG23 H 1 1.027 0.000 . 2 . . . A 64 VAL HG23 . 25284 1 710 . 1 1 64 64 VAL C C 13 177.556 0.000 . 1 . . . A 64 VAL C . 25284 1 711 . 1 1 64 64 VAL CA C 13 65.179 0.000 . 1 . . . A 64 VAL CA . 25284 1 712 . 1 1 64 64 VAL CB C 13 32.413 0.000 . 1 . . . A 64 VAL CB . 25284 1 713 . 1 1 64 64 VAL CG1 C 13 21.605 0.000 . 2 . . . A 64 VAL CG1 . 25284 1 714 . 1 1 64 64 VAL CG2 C 13 22.073 0.000 . 2 . . . A 64 VAL CG2 . 25284 1 715 . 1 1 64 64 VAL N N 15 119.209 0.000 . 1 . . . A 64 VAL N . 25284 1 716 . 1 1 65 65 ALA H H 1 8.246 0.000 . 1 . . . A 65 ALA H . 25284 1 717 . 1 1 65 65 ALA HA H 1 3.987 0.000 . 1 . . . A 65 ALA HA . 25284 1 718 . 1 1 65 65 ALA HB1 H 1 1.395 0.000 . 1 . . . A 65 ALA HB1 . 25284 1 719 . 1 1 65 65 ALA HB2 H 1 1.395 0.000 . 1 . . . A 65 ALA HB2 . 25284 1 720 . 1 1 65 65 ALA HB3 H 1 1.395 0.000 . 1 . . . A 65 ALA HB3 . 25284 1 721 . 1 1 65 65 ALA C C 13 177.994 0.000 . 1 . . . A 65 ALA C . 25284 1 722 . 1 1 65 65 ALA CA C 13 54.842 0.000 . 1 . . . A 65 ALA CA . 25284 1 723 . 1 1 65 65 ALA CB C 13 18.522 0.000 . 1 . . . A 65 ALA CB . 25284 1 724 . 1 1 65 65 ALA N N 15 122.418 0.000 . 1 . . . A 65 ALA N . 25284 1 725 . 1 1 66 66 GLY H H 1 8.021 0.000 . 1 . . . A 66 GLY H . 25284 1 726 . 1 1 66 66 GLY HA2 H 1 4.125 0.000 . 2 . . . A 66 GLY HA2 . 25284 1 727 . 1 1 66 66 GLY HA3 H 1 3.881 0.000 . 2 . . . A 66 GLY HA3 . 25284 1 728 . 1 1 66 66 GLY C C 13 174.387 0.000 . 1 . . . A 66 GLY C . 25284 1 729 . 1 1 66 66 GLY CA C 13 46.015 0.000 . 1 . . . A 66 GLY CA . 25284 1 730 . 1 1 66 66 GLY N N 15 100.378 0.000 . 1 . . . A 66 GLY N . 25284 1 731 . 1 1 67 67 ARG H H 1 7.483 0.000 . 1 . . . A 67 ARG H . 25284 1 732 . 1 1 67 67 ARG HA H 1 4.623 0.000 . 1 . . . A 67 ARG HA . 25284 1 733 . 1 1 67 67 ARG HB2 H 1 2.076 0.000 . 2 . . . A 67 ARG HB2 . 25284 1 734 . 1 1 67 67 ARG HB3 H 1 1.852 0.000 . 2 . . . A 67 ARG HB3 . 25284 1 735 . 1 1 67 67 ARG HG2 H 1 1.759 0.000 . 1 . . . A 67 ARG HG2 . 25284 1 736 . 1 1 67 67 ARG HG3 H 1 1.759 0.000 . 1 . . . A 67 ARG HG3 . 25284 1 737 . 1 1 67 67 ARG HD2 H 1 3.264 0.000 . 1 . . . A 67 ARG HD2 . 25284 1 738 . 1 1 67 67 ARG HD3 H 1 3.264 0.000 . 1 . . . A 67 ARG HD3 . 25284 1 739 . 1 1 67 67 ARG C C 13 176.509 0.000 . 1 . . . A 67 ARG C . 25284 1 740 . 1 1 67 67 ARG CA C 13 55.883 0.000 . 1 . . . A 67 ARG CA . 25284 1 741 . 1 1 67 67 ARG CB C 13 31.911 0.000 . 1 . . . A 67 ARG CB . 25284 1 742 . 1 1 67 67 ARG CG C 13 27.594 0.000 . 1 . . . A 67 ARG CG . 25284 1 743 . 1 1 67 67 ARG CD C 13 43.908 0.000 . 1 . . . A 67 ARG CD . 25284 1 744 . 1 1 67 67 ARG N N 15 116.838 0.000 . 1 . . . A 67 ARG N . 25284 1 745 . 1 1 68 68 VAL H H 1 7.284 0.000 . 1 . . . A 68 VAL H . 25284 1 746 . 1 1 68 68 VAL HA H 1 4.468 0.000 . 1 . . . A 68 VAL HA . 25284 1 747 . 1 1 68 68 VAL HB H 1 2.409 0.000 . 1 . . . A 68 VAL HB . 25284 1 748 . 1 1 68 68 VAL HG11 H 1 1.144 0.000 . 2 . . . A 68 VAL HG11 . 25284 1 749 . 1 1 68 68 VAL HG12 H 1 1.144 0.000 . 2 . . . A 68 VAL HG12 . 25284 1 750 . 1 1 68 68 VAL HG13 H 1 1.144 0.000 . 2 . . . A 68 VAL HG13 . 25284 1 751 . 1 1 68 68 VAL HG21 H 1 1.243 0.000 . 2 . . . A 68 VAL HG21 . 25284 1 752 . 1 1 68 68 VAL HG22 H 1 1.243 0.000 . 2 . . . A 68 VAL HG22 . 25284 1 753 . 1 1 68 68 VAL HG23 H 1 1.243 0.000 . 2 . . . A 68 VAL HG23 . 25284 1 754 . 1 1 68 68 VAL C C 13 175.192 0.000 . 1 . . . A 68 VAL C . 25284 1 755 . 1 1 68 68 VAL CA C 13 61.819 0.000 . 1 . . . A 68 VAL CA . 25284 1 756 . 1 1 68 68 VAL CB C 13 33.624 0.000 . 1 . . . A 68 VAL CB . 25284 1 757 . 1 1 68 68 VAL CG1 C 13 23.381 0.000 . 2 . . . A 68 VAL CG1 . 25284 1 758 . 1 1 68 68 VAL CG2 C 13 20.116 0.000 . 2 . . . A 68 VAL CG2 . 25284 1 759 . 1 1 68 68 VAL N N 15 114.649 0.000 . 1 . . . A 68 VAL N . 25284 1 760 . 1 1 69 69 ASP H H 1 9.167 0.000 . 1 . . . A 69 ASP H . 25284 1 761 . 1 1 69 69 ASP HA H 1 5.264 0.000 . 1 . . . A 69 ASP HA . 25284 1 762 . 1 1 69 69 ASP HB2 H 1 3.020 0.000 . 2 . . . A 69 ASP HB2 . 25284 1 763 . 1 1 69 69 ASP HB3 H 1 2.870 0.000 . 2 . . . A 69 ASP HB3 . 25284 1 764 . 1 1 69 69 ASP C C 13 176.970 0.000 . 1 . . . A 69 ASP C . 25284 1 765 . 1 1 69 69 ASP CA C 13 55.811 0.000 . 1 . . . A 69 ASP CA . 25284 1 766 . 1 1 69 69 ASP CB C 13 44.441 0.000 . 1 . . . A 69 ASP CB . 25284 1 767 . 1 1 69 69 ASP N N 15 120.972 0.000 . 1 . . . A 69 ASP N . 25284 1 768 . 1 1 70 70 THR H H 1 7.477 0.000 . 1 . . . A 70 THR H . 25284 1 769 . 1 1 70 70 THR HA H 1 4.939 0.000 . 1 . . . A 70 THR HA . 25284 1 770 . 1 1 70 70 THR HB H 1 4.627 0.000 . 1 . . . A 70 THR HB . 25284 1 771 . 1 1 70 70 THR HG21 H 1 1.069 0.000 . 1 . . . A 70 THR HG21 . 25284 1 772 . 1 1 70 70 THR HG22 H 1 1.069 0.000 . 1 . . . A 70 THR HG22 . 25284 1 773 . 1 1 70 70 THR HG23 H 1 1.069 0.000 . 1 . . . A 70 THR HG23 . 25284 1 774 . 1 1 70 70 THR CA C 13 57.823 0.000 . 1 . . . A 70 THR CA . 25284 1 775 . 1 1 70 70 THR CB C 13 71.412 0.000 . 1 . . . A 70 THR CB . 25284 1 776 . 1 1 70 70 THR CG2 C 13 21.775 0.000 . 1 . . . A 70 THR CG2 . 25284 1 777 . 1 1 70 70 THR N N 15 108.311 0.000 . 1 . . . A 70 THR N . 25284 1 778 . 1 1 71 71 PRO HA H 1 4.235 0.000 . 1 . . . A 71 PRO HA . 25284 1 779 . 1 1 71 71 PRO HB2 H 1 2.239 0.000 . 2 . . . A 71 PRO HB2 . 25284 1 780 . 1 1 71 71 PRO HB3 H 1 2.021 0.000 . 2 . . . A 71 PRO HB3 . 25284 1 781 . 1 1 71 71 PRO HG2 H 1 2.208 0.000 . 2 . . . A 71 PRO HG2 . 25284 1 782 . 1 1 71 71 PRO HG3 H 1 1.347 0.000 . 2 . . . A 71 PRO HG3 . 25284 1 783 . 1 1 71 71 PRO HD2 H 1 4.033 0.000 . 2 . . . A 71 PRO HD2 . 25284 1 784 . 1 1 71 71 PRO HD3 H 1 2.789 0.000 . 2 . . . A 71 PRO HD3 . 25284 1 785 . 1 1 71 71 PRO C C 13 177.422 0.000 . 1 . . . A 71 PRO C . 25284 1 786 . 1 1 71 71 PRO CA C 13 66.002 0.000 . 1 . . . A 71 PRO CA . 25284 1 787 . 1 1 71 71 PRO CB C 13 32.686 0.000 . 1 . . . A 71 PRO CB . 25284 1 788 . 1 1 71 71 PRO CG C 13 26.934 0.000 . 1 . . . A 71 PRO CG . 25284 1 789 . 1 1 71 71 PRO CD C 13 51.937 0.000 . 1 . . . A 71 PRO CD . 25284 1 790 . 1 1 72 72 ARG H H 1 9.016 0.000 . 1 . . . A 72 ARG H . 25284 1 791 . 1 1 72 72 ARG HA H 1 3.609 0.000 . 1 . . . A 72 ARG HA . 25284 1 792 . 1 1 72 72 ARG HB2 H 1 1.863 0.000 . 2 . . . A 72 ARG HB2 . 25284 1 793 . 1 1 72 72 ARG HB3 H 1 1.610 0.000 . 2 . . . A 72 ARG HB3 . 25284 1 794 . 1 1 72 72 ARG HG2 H 1 1.648 0.000 . 2 . . . A 72 ARG HG2 . 25284 1 795 . 1 1 72 72 ARG HG3 H 1 1.537 0.000 . 2 . . . A 72 ARG HG3 . 25284 1 796 . 1 1 72 72 ARG HD2 H 1 3.503 0.000 . 2 . . . A 72 ARG HD2 . 25284 1 797 . 1 1 72 72 ARG HD3 H 1 3.015 0.000 . 2 . . . A 72 ARG HD3 . 25284 1 798 . 1 1 72 72 ARG HE H 1 9.003 0.000 . 1 . . . A 72 ARG HE . 25284 1 799 . 1 1 72 72 ARG C C 13 177.616 0.000 . 1 . . . A 72 ARG C . 25284 1 800 . 1 1 72 72 ARG CA C 13 60.243 0.000 . 1 . . . A 72 ARG CA . 25284 1 801 . 1 1 72 72 ARG CB C 13 30.524 0.000 . 1 . . . A 72 ARG CB . 25284 1 802 . 1 1 72 72 ARG CG C 13 27.692 0.000 . 1 . . . A 72 ARG CG . 25284 1 803 . 1 1 72 72 ARG CD C 13 42.956 0.000 . 1 . . . A 72 ARG CD . 25284 1 804 . 1 1 72 72 ARG N N 15 117.972 0.000 . 1 . . . A 72 ARG N . 25284 1 805 . 1 1 72 72 ARG NE N 15 83.657 0.000 . 1 . . . A 72 ARG NE . 25284 1 806 . 1 1 73 73 GLU H H 1 7.838 0.000 . 1 . . . A 73 GLU H . 25284 1 807 . 1 1 73 73 GLU HA H 1 4.242 0.000 . 1 . . . A 73 GLU HA . 25284 1 808 . 1 1 73 73 GLU HB2 H 1 2.487 0.000 . 2 . . . A 73 GLU HB2 . 25284 1 809 . 1 1 73 73 GLU HB3 H 1 2.286 0.000 . 2 . . . A 73 GLU HB3 . 25284 1 810 . 1 1 73 73 GLU HG2 H 1 2.650 0.000 . 2 . . . A 73 GLU HG2 . 25284 1 811 . 1 1 73 73 GLU HG3 H 1 2.497 0.000 . 2 . . . A 73 GLU HG3 . 25284 1 812 . 1 1 73 73 GLU C C 13 180.200 0.000 . 1 . . . A 73 GLU C . 25284 1 813 . 1 1 73 73 GLU CA C 13 59.226 0.000 . 1 . . . A 73 GLU CA . 25284 1 814 . 1 1 73 73 GLU CB C 13 30.069 0.000 . 1 . . . A 73 GLU CB . 25284 1 815 . 1 1 73 73 GLU CG C 13 36.672 0.000 . 1 . . . A 73 GLU CG . 25284 1 816 . 1 1 73 73 GLU N N 15 116.790 0.000 . 1 . . . A 73 GLU N . 25284 1 817 . 1 1 74 74 LEU H H 1 7.703 0.000 . 1 . . . A 74 LEU H . 25284 1 818 . 1 1 74 74 LEU HA H 1 4.313 0.000 . 1 . . . A 74 LEU HA . 25284 1 819 . 1 1 74 74 LEU HB2 H 1 2.434 0.000 . 2 . . . A 74 LEU HB2 . 25284 1 820 . 1 1 74 74 LEU HB3 H 1 1.702 0.000 . 2 . . . A 74 LEU HB3 . 25284 1 821 . 1 1 74 74 LEU HG H 1 0.988 0.000 . 1 . . . A 74 LEU HG . 25284 1 822 . 1 1 74 74 LEU HD11 H 1 1.004 0.000 . 2 . . . A 74 LEU HD11 . 25284 1 823 . 1 1 74 74 LEU HD12 H 1 1.004 0.000 . 2 . . . A 74 LEU HD12 . 25284 1 824 . 1 1 74 74 LEU HD13 H 1 1.004 0.000 . 2 . . . A 74 LEU HD13 . 25284 1 825 . 1 1 74 74 LEU HD21 H 1 1.048 0.000 . 2 . . . A 74 LEU HD21 . 25284 1 826 . 1 1 74 74 LEU HD22 H 1 1.048 0.000 . 2 . . . A 74 LEU HD22 . 25284 1 827 . 1 1 74 74 LEU HD23 H 1 1.048 0.000 . 2 . . . A 74 LEU HD23 . 25284 1 828 . 1 1 74 74 LEU C C 13 177.023 0.000 . 1 . . . A 74 LEU C . 25284 1 829 . 1 1 74 74 LEU CA C 13 58.179 0.000 . 1 . . . A 74 LEU CA . 25284 1 830 . 1 1 74 74 LEU CB C 13 42.292 0.000 . 1 . . . A 74 LEU CB . 25284 1 831 . 1 1 74 74 LEU CG C 13 26.470 0.000 . 1 . . . A 74 LEU CG . 25284 1 832 . 1 1 74 74 LEU CD1 C 13 22.666 0.000 . 2 . . . A 74 LEU CD1 . 25284 1 833 . 1 1 74 74 LEU CD2 C 13 22.912 0.000 . 2 . . . A 74 LEU CD2 . 25284 1 834 . 1 1 74 74 LEU N N 15 120.656 0.000 . 1 . . . A 74 LEU N . 25284 1 835 . 1 1 75 75 LEU H H 1 8.743 0.000 . 1 . . . A 75 LEU H . 25284 1 836 . 1 1 75 75 LEU HA H 1 3.894 0.000 . 1 . . . A 75 LEU HA . 25284 1 837 . 1 1 75 75 LEU HB2 H 1 2.196 0.000 . 2 . . . A 75 LEU HB2 . 25284 1 838 . 1 1 75 75 LEU HB3 H 1 1.550 0.000 . 2 . . . A 75 LEU HB3 . 25284 1 839 . 1 1 75 75 LEU HG H 1 1.692 0.000 . 1 . . . A 75 LEU HG . 25284 1 840 . 1 1 75 75 LEU HD11 H 1 0.803 0.000 . 2 . . . A 75 LEU HD11 . 25284 1 841 . 1 1 75 75 LEU HD12 H 1 0.803 0.000 . 2 . . . A 75 LEU HD12 . 25284 1 842 . 1 1 75 75 LEU HD13 H 1 0.803 0.000 . 2 . . . A 75 LEU HD13 . 25284 1 843 . 1 1 75 75 LEU HD21 H 1 0.881 0.000 . 2 . . . A 75 LEU HD21 . 25284 1 844 . 1 1 75 75 LEU HD22 H 1 0.881 0.000 . 2 . . . A 75 LEU HD22 . 25284 1 845 . 1 1 75 75 LEU HD23 H 1 0.881 0.000 . 2 . . . A 75 LEU HD23 . 25284 1 846 . 1 1 75 75 LEU C C 13 178.169 0.000 . 1 . . . A 75 LEU C . 25284 1 847 . 1 1 75 75 LEU CA C 13 58.562 0.000 . 1 . . . A 75 LEU CA . 25284 1 848 . 1 1 75 75 LEU CB C 13 42.408 0.000 . 1 . . . A 75 LEU CB . 25284 1 849 . 1 1 75 75 LEU CG C 13 26.820 0.000 . 1 . . . A 75 LEU CG . 25284 1 850 . 1 1 75 75 LEU CD1 C 13 24.887 0.000 . 2 . . . A 75 LEU CD1 . 25284 1 851 . 1 1 75 75 LEU CD2 C 13 26.582 0.000 . 2 . . . A 75 LEU CD2 . 25284 1 852 . 1 1 75 75 LEU N N 15 121.434 0.000 . 1 . . . A 75 LEU N . 25284 1 853 . 1 1 76 76 ASP H H 1 8.711 0.000 . 1 . . . A 76 ASP H . 25284 1 854 . 1 1 76 76 ASP HA H 1 4.488 0.000 . 1 . . . A 76 ASP HA . 25284 1 855 . 1 1 76 76 ASP HB2 H 1 2.769 0.000 . 2 . . . A 76 ASP HB2 . 25284 1 856 . 1 1 76 76 ASP HB3 H 1 2.721 0.000 . 2 . . . A 76 ASP HB3 . 25284 1 857 . 1 1 76 76 ASP C C 13 180.127 0.000 . 1 . . . A 76 ASP C . 25284 1 858 . 1 1 76 76 ASP CA C 13 57.487 0.000 . 1 . . . A 76 ASP CA . 25284 1 859 . 1 1 76 76 ASP CB C 13 40.085 0.000 . 1 . . . A 76 ASP CB . 25284 1 860 . 1 1 76 76 ASP N N 15 117.849 0.000 . 1 . . . A 76 ASP N . 25284 1 861 . 1 1 77 77 LEU H H 1 8.009 0.000 . 1 . . . A 77 LEU H . 25284 1 862 . 1 1 77 77 LEU HA H 1 4.303 0.000 . 1 . . . A 77 LEU HA . 25284 1 863 . 1 1 77 77 LEU HB2 H 1 2.033 0.000 . 2 . . . A 77 LEU HB2 . 25284 1 864 . 1 1 77 77 LEU HB3 H 1 1.906 0.000 . 2 . . . A 77 LEU HB3 . 25284 1 865 . 1 1 77 77 LEU HG H 1 1.832 0.000 . 1 . . . A 77 LEU HG . 25284 1 866 . 1 1 77 77 LEU HD11 H 1 0.963 0.000 . 1 . . . A 77 LEU HD11 . 25284 1 867 . 1 1 77 77 LEU HD12 H 1 0.963 0.000 . 1 . . . A 77 LEU HD12 . 25284 1 868 . 1 1 77 77 LEU HD13 H 1 0.963 0.000 . 1 . . . A 77 LEU HD13 . 25284 1 869 . 1 1 77 77 LEU HD21 H 1 0.963 0.000 . 1 . . . A 77 LEU HD21 . 25284 1 870 . 1 1 77 77 LEU HD22 H 1 0.963 0.000 . 1 . . . A 77 LEU HD22 . 25284 1 871 . 1 1 77 77 LEU HD23 H 1 0.963 0.000 . 1 . . . A 77 LEU HD23 . 25284 1 872 . 1 1 77 77 LEU C C 13 180.621 0.000 . 1 . . . A 77 LEU C . 25284 1 873 . 1 1 77 77 LEU CA C 13 58.439 0.000 . 1 . . . A 77 LEU CA . 25284 1 874 . 1 1 77 77 LEU CB C 13 42.905 0.000 . 1 . . . A 77 LEU CB . 25284 1 875 . 1 1 77 77 LEU CG C 13 27.284 0.000 . 1 . . . A 77 LEU CG . 25284 1 876 . 1 1 77 77 LEU CD1 C 13 25.407 0.000 . 2 . . . A 77 LEU CD1 . 25284 1 877 . 1 1 77 77 LEU CD2 C 13 27.052 0.000 . 2 . . . A 77 LEU CD2 . 25284 1 878 . 1 1 77 77 LEU N N 15 123.252 0.000 . 1 . . . A 77 LEU N . 25284 1 879 . 1 1 78 78 ILE H H 1 8.294 0.000 . 1 . . . A 78 ILE H . 25284 1 880 . 1 1 78 78 ILE HA H 1 3.750 0.000 . 1 . . . A 78 ILE HA . 25284 1 881 . 1 1 78 78 ILE HB H 1 1.946 0.000 . 1 . . . A 78 ILE HB . 25284 1 882 . 1 1 78 78 ILE HG12 H 1 1.729 0.000 . 2 . . . A 78 ILE HG12 . 25284 1 883 . 1 1 78 78 ILE HG13 H 1 1.295 0.000 . 2 . . . A 78 ILE HG13 . 25284 1 884 . 1 1 78 78 ILE HG21 H 1 0.850 0.000 . 1 . . . A 78 ILE HG21 . 25284 1 885 . 1 1 78 78 ILE HG22 H 1 0.850 0.000 . 1 . . . A 78 ILE HG22 . 25284 1 886 . 1 1 78 78 ILE HG23 H 1 0.850 0.000 . 1 . . . A 78 ILE HG23 . 25284 1 887 . 1 1 78 78 ILE HD11 H 1 0.802 0.000 . 1 . . . A 78 ILE HD11 . 25284 1 888 . 1 1 78 78 ILE HD12 H 1 0.802 0.000 . 1 . . . A 78 ILE HD12 . 25284 1 889 . 1 1 78 78 ILE HD13 H 1 0.802 0.000 . 1 . . . A 78 ILE HD13 . 25284 1 890 . 1 1 78 78 ILE C C 13 177.713 0.000 . 1 . . . A 78 ILE C . 25284 1 891 . 1 1 78 78 ILE CA C 13 64.757 0.000 . 1 . . . A 78 ILE CA . 25284 1 892 . 1 1 78 78 ILE CB C 13 37.402 0.000 . 1 . . . A 78 ILE CB . 25284 1 893 . 1 1 78 78 ILE CG1 C 13 28.996 0.000 . 1 . . . A 78 ILE CG1 . 25284 1 894 . 1 1 78 78 ILE CG2 C 13 17.323 0.000 . 1 . . . A 78 ILE CG2 . 25284 1 895 . 1 1 78 78 ILE CD1 C 13 13.355 0.000 . 1 . . . A 78 ILE CD1 . 25284 1 896 . 1 1 78 78 ILE N N 15 120.216 0.000 . 1 . . . A 78 ILE N . 25284 1 897 . 1 1 79 79 ASN H H 1 8.887 0.000 . 1 . . . A 79 ASN H . 25284 1 898 . 1 1 79 79 ASN HA H 1 4.912 0.000 . 1 . . . A 79 ASN HA . 25284 1 899 . 1 1 79 79 ASN HB2 H 1 3.088 0.000 . 2 . . . A 79 ASN HB2 . 25284 1 900 . 1 1 79 79 ASN HB3 H 1 2.771 0.000 . 2 . . . A 79 ASN HB3 . 25284 1 901 . 1 1 79 79 ASN HD21 H 1 7.334 0.000 . 1 . . . A 79 ASN HD21 . 25284 1 902 . 1 1 79 79 ASN HD22 H 1 7.676 0.000 . 1 . . . A 79 ASN HD22 . 25284 1 903 . 1 1 79 79 ASN C C 13 179.524 0.000 . 1 . . . A 79 ASN C . 25284 1 904 . 1 1 79 79 ASN CA C 13 55.473 0.000 . 1 . . . A 79 ASN CA . 25284 1 905 . 1 1 79 79 ASN CB C 13 37.331 0.000 . 1 . . . A 79 ASN CB . 25284 1 906 . 1 1 79 79 ASN N N 15 118.191 0.000 . 1 . . . A 79 ASN N . 25284 1 907 . 1 1 79 79 ASN ND2 N 15 107.999 0.000 . 1 . . . A 79 ASN ND2 . 25284 1 908 . 1 1 80 80 GLY H H 1 8.436 0.000 . 1 . . . A 80 GLY H . 25284 1 909 . 1 1 80 80 GLY HA2 H 1 4.029 0.000 . 1 . . . A 80 GLY HA2 . 25284 1 910 . 1 1 80 80 GLY HA3 H 1 4.029 0.000 . 1 . . . A 80 GLY HA3 . 25284 1 911 . 1 1 80 80 GLY C C 13 175.783 0.000 . 1 . . . A 80 GLY C . 25284 1 912 . 1 1 80 80 GLY CA C 13 47.166 0.000 . 1 . . . A 80 GLY CA . 25284 1 913 . 1 1 80 80 GLY N N 15 110.387 0.000 . 1 . . . A 80 GLY N . 25284 1 914 . 1 1 81 81 ALA H H 1 7.606 0.000 . 1 . . . A 81 ALA H . 25284 1 915 . 1 1 81 81 ALA HA H 1 4.460 0.000 . 1 . . . A 81 ALA HA . 25284 1 916 . 1 1 81 81 ALA HB1 H 1 1.629 0.000 . 1 . . . A 81 ALA HB1 . 25284 1 917 . 1 1 81 81 ALA HB2 H 1 1.629 0.000 . 1 . . . A 81 ALA HB2 . 25284 1 918 . 1 1 81 81 ALA HB3 H 1 1.629 0.000 . 1 . . . A 81 ALA HB3 . 25284 1 919 . 1 1 81 81 ALA C C 13 179.892 0.000 . 1 . . . A 81 ALA C . 25284 1 920 . 1 1 81 81 ALA CA C 13 54.389 0.000 . 1 . . . A 81 ALA CA . 25284 1 921 . 1 1 81 81 ALA CB C 13 18.824 0.000 . 1 . . . A 81 ALA CB . 25284 1 922 . 1 1 81 81 ALA N N 15 124.420 0.000 . 1 . . . A 81 ALA N . 25284 1 923 . 1 1 82 82 LEU H H 1 8.285 0.000 . 1 . . . A 82 LEU H . 25284 1 924 . 1 1 82 82 LEU HA H 1 4.214 0.000 . 1 . . . A 82 LEU HA . 25284 1 925 . 1 1 82 82 LEU HB2 H 1 2.020 0.000 . 2 . . . A 82 LEU HB2 . 25284 1 926 . 1 1 82 82 LEU HB3 H 1 1.568 0.000 . 2 . . . A 82 LEU HB3 . 25284 1 927 . 1 1 82 82 LEU HG H 1 1.846 0.000 . 1 . . . A 82 LEU HG . 25284 1 928 . 1 1 82 82 LEU HD11 H 1 0.989 0.000 . 1 . . . A 82 LEU HD11 . 25284 1 929 . 1 1 82 82 LEU HD12 H 1 0.989 0.000 . 1 . . . A 82 LEU HD12 . 25284 1 930 . 1 1 82 82 LEU HD13 H 1 0.989 0.000 . 1 . . . A 82 LEU HD13 . 25284 1 931 . 1 1 82 82 LEU HD21 H 1 0.989 0.000 . 1 . . . A 82 LEU HD21 . 25284 1 932 . 1 1 82 82 LEU HD22 H 1 0.989 0.000 . 1 . . . A 82 LEU HD22 . 25284 1 933 . 1 1 82 82 LEU HD23 H 1 0.989 0.000 . 1 . . . A 82 LEU HD23 . 25284 1 934 . 1 1 82 82 LEU C C 13 178.884 0.000 . 1 . . . A 82 LEU C . 25284 1 935 . 1 1 82 82 LEU CA C 13 57.098 0.000 . 1 . . . A 82 LEU CA . 25284 1 936 . 1 1 82 82 LEU CB C 13 42.739 0.000 . 1 . . . A 82 LEU CB . 25284 1 937 . 1 1 82 82 LEU CG C 13 27.354 0.000 . 1 . . . A 82 LEU CG . 25284 1 938 . 1 1 82 82 LEU CD1 C 13 24.011 0.000 . 2 . . . A 82 LEU CD1 . 25284 1 939 . 1 1 82 82 LEU CD2 C 13 26.107 0.000 . 2 . . . A 82 LEU CD2 . 25284 1 940 . 1 1 82 82 LEU N N 15 120.239 0.000 . 1 . . . A 82 LEU N . 25284 1 941 . 1 1 83 83 ALA H H 1 7.973 0.000 . 1 . . . A 83 ALA H . 25284 1 942 . 1 1 83 83 ALA HA H 1 4.299 0.000 . 1 . . . A 83 ALA HA . 25284 1 943 . 1 1 83 83 ALA HB1 H 1 1.612 0.000 . 1 . . . A 83 ALA HB1 . 25284 1 944 . 1 1 83 83 ALA HB2 H 1 1.612 0.000 . 1 . . . A 83 ALA HB2 . 25284 1 945 . 1 1 83 83 ALA HB3 H 1 1.612 0.000 . 1 . . . A 83 ALA HB3 . 25284 1 946 . 1 1 83 83 ALA C C 13 178.788 0.000 . 1 . . . A 83 ALA C . 25284 1 947 . 1 1 83 83 ALA CA C 13 54.049 0.000 . 1 . . . A 83 ALA CA . 25284 1 948 . 1 1 83 83 ALA CB C 13 18.944 0.000 . 1 . . . A 83 ALA CB . 25284 1 949 . 1 1 83 83 ALA N N 15 121.614 0.000 . 1 . . . A 83 ALA N . 25284 1 950 . 1 1 84 84 GLU H H 1 7.753 0.000 . 1 . . . A 84 GLU H . 25284 1 951 . 1 1 84 84 GLU HA H 1 4.385 0.000 . 1 . . . A 84 GLU HA . 25284 1 952 . 1 1 84 84 GLU HB2 H 1 2.256 0.000 . 2 . . . A 84 GLU HB2 . 25284 1 953 . 1 1 84 84 GLU HB3 H 1 2.128 0.000 . 2 . . . A 84 GLU HB3 . 25284 1 954 . 1 1 84 84 GLU HG2 H 1 2.530 0.000 . 2 . . . A 84 GLU HG2 . 25284 1 955 . 1 1 84 84 GLU HG3 H 1 2.471 0.000 . 2 . . . A 84 GLU HG3 . 25284 1 956 . 1 1 84 84 GLU C C 13 176.406 0.000 . 1 . . . A 84 GLU C . 25284 1 957 . 1 1 84 84 GLU CA C 13 56.872 0.000 . 1 . . . A 84 GLU CA . 25284 1 958 . 1 1 84 84 GLU CB C 13 29.773 0.000 . 1 . . . A 84 GLU CB . 25284 1 959 . 1 1 84 84 GLU CG C 13 35.946 0.000 . 1 . . . A 84 GLU CG . 25284 1 960 . 1 1 84 84 GLU N N 15 117.412 0.000 . 1 . . . A 84 GLU N . 25284 1 961 . 1 1 85 85 ALA H H 1 7.832 0.000 . 1 . . . A 85 ALA H . 25284 1 962 . 1 1 85 85 ALA HA H 1 4.471 0.000 . 1 . . . A 85 ALA HA . 25284 1 963 . 1 1 85 85 ALA HB1 H 1 1.576 0.000 . 1 . . . A 85 ALA HB1 . 25284 1 964 . 1 1 85 85 ALA HB2 H 1 1.576 0.000 . 1 . . . A 85 ALA HB2 . 25284 1 965 . 1 1 85 85 ALA HB3 H 1 1.576 0.000 . 1 . . . A 85 ALA HB3 . 25284 1 966 . 1 1 85 85 ALA C C 13 176.625 0.000 . 1 . . . A 85 ALA C . 25284 1 967 . 1 1 85 85 ALA CA C 13 52.679 0.000 . 1 . . . A 85 ALA CA . 25284 1 968 . 1 1 85 85 ALA CB C 13 19.702 0.000 . 1 . . . A 85 ALA CB . 25284 1 969 . 1 1 85 85 ALA N N 15 124.256 0.000 . 1 . . . A 85 ALA N . 25284 1 970 . 1 1 86 86 ALA H H 1 7.954 0.000 . 1 . . . A 86 ALA H . 25284 1 971 . 1 1 86 86 ALA HA H 1 4.217 0.000 . 1 . . . A 86 ALA HA . 25284 1 972 . 1 1 86 86 ALA CA C 13 54.313 0.000 . 1 . . . A 86 ALA CA . 25284 1 973 . 1 1 86 86 ALA CB C 13 20.191 0.000 . 1 . . . A 86 ALA CB . 25284 1 974 . 1 1 86 86 ALA N N 15 129.339 0.000 . 1 . . . A 86 ALA N . 25284 1 975 . 2 2 1 1 SDO H28A H 1 3.920 0.000 . 2 . . . A 101 SDO H28A . 25284 1 976 . 2 2 1 1 SDO H28B H 1 3.919 0.000 . 2 . . . A 101 SDO H28B . 25284 1 977 . 2 2 1 1 SDO H30A H 1 0.920 0.000 . 2 . . . A 101 SDO H30A . 25284 1 978 . 2 2 1 1 SDO H30B H 1 0.920 0.000 . 2 . . . A 101 SDO H30B . 25284 1 979 . 2 2 1 1 SDO H30C H 1 0.920 0.000 . 2 . . . A 101 SDO H30C . 25284 1 980 . 2 2 1 1 SDO H31A H 1 1.060 0.000 . 2 . . . A 101 SDO H31A . 25284 1 981 . 2 2 1 1 SDO H31B H 1 1.060 0.000 . 2 . . . A 101 SDO H31B . 25284 1 982 . 2 2 1 1 SDO H31C H 1 1.060 0.000 . 2 . . . A 101 SDO H31C . 25284 1 983 . 2 2 1 1 SDO H32A H 1 4.122 0.000 . 1 . . . A 101 SDO H32A . 25284 1 984 . 2 2 1 1 SDO H36A H 1 8.110 0.000 . 1 . . . A 101 SDO H36A . 25284 1 985 . 2 2 1 1 SDO H37A H 1 3.638 0.000 . 2 . . . A 101 SDO H37A . 25284 1 986 . 2 2 1 1 SDO H37B H 1 3.638 0.000 . 2 . . . A 101 SDO H37B . 25284 1 987 . 2 2 1 1 SDO H38A H 1 2.576 0.000 . 2 . . . A 101 SDO H38A . 25284 1 988 . 2 2 1 1 SDO H38B H 1 2.576 0.000 . 2 . . . A 101 SDO H38B . 25284 1 989 . 2 2 1 1 SDO H41A H 1 8.292 0.000 . 1 . . . A 101 SDO H41A . 25284 1 990 . 2 2 1 1 SDO H42A H 1 3.462 0.000 . 2 . . . A 101 SDO H42A . 25284 1 991 . 2 2 1 1 SDO H42B H 1 3.462 0.000 . 2 . . . A 101 SDO H42B . 25284 1 992 . 2 2 1 1 SDO H5A H 1 2.107 0.000 . 2 . . . A 101 SDO H5A . 25284 1 993 . 2 2 1 1 SDO H5B H 1 2.107 0.000 . 2 . . . A 101 SDO H5B . 25284 1 994 . 2 2 1 1 SDO H6A H 1 2.514 0.000 . 2 . . . A 101 SDO H6A . 25284 1 995 . 2 2 1 1 SDO H6B H 1 2.514 0.000 . 2 . . . A 101 SDO H6B . 25284 1 996 . 2 2 1 1 SDO H8A H 1 2.194 0.000 . 1 . . . A 101 SDO H8% . 25284 1 997 . 2 2 1 1 SDO H8B H 1 2.194 0.000 . 1 . . . A 101 SDO H8% . 25284 1 998 . 2 2 1 1 SDO H8C H 1 2.194 0.000 . 1 . . . A 101 SDO H8% . 25284 1 stop_ save_