data_30774 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30774 _Entry.Title ; NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-19 _Entry.Accession_date 2020-07-19 _Entry.Last_release_date 2020-08-24 _Entry.Original_release_date 2020-08-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 F. Cai F. . . . 30774 2 I. Robertson I. M. . . 30774 3 T. Kampourakis T. . . . 30774 4 B. Klein B. A. . . 30774 5 B. Sykes B. D. . . 30774 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF hand' . 30774 'METAL BINDING PROTEIN' . 30774 'calcium binding protein' . 30774 'calcium modulator' . 30774 'cardiac troponin' . 30774 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30774 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 30774 '15N chemical shifts' 114 30774 '1H chemical shifts' 799 30774 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 . . 2020-08-31 . original BMRB . 30774 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7JGI 'BMRB Entry Tracking System' 30774 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30774 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32633482 _Citation.DOI 10.1021/acschembio.0c00519 _Citation.Full_citation . _Citation.Title ; The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acs Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1554-8937 _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 2289 _Citation.Page_last 2298 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Cai F. . . . 30774 1 2 I. Robertson I. M. . . 30774 1 3 T. Kampourakis T. . . . 30774 1 4 B. Klein B. A. . . 30774 1 5 B. Sykes B. D. . . 30774 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30774 _Assembly.ID 1 _Assembly.Name 'Troponin C, slow skeletal and cardiac muscles, Troponin I, cardiac muscle' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 30774 1 2 unit_2 2 $entity_CA B A no . . . . . . 30774 1 3 unit_3 3 $entity_V8Y C A no . . . . . . 30774 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30774 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVLGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDSKGKFKRPTLRR VRISADAMMQALLGARAKGH HHHHH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation C35S,C84S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14186.127 _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 'Cardiac troponin I' common 30774 1 TN-C common 30774 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 . 30774 1 2 . ASP . 30774 1 3 . ASP . 30774 1 4 . ILE . 30774 1 5 . TYR . 30774 1 6 . LYS . 30774 1 7 . ALA . 30774 1 8 . ALA . 30774 1 9 . VAL . 30774 1 10 . GLU . 30774 1 11 . GLN . 30774 1 12 . LEU . 30774 1 13 . THR . 30774 1 14 . GLU . 30774 1 15 . GLU . 30774 1 16 . GLN . 30774 1 17 . LYS . 30774 1 18 . ASN . 30774 1 19 . GLU . 30774 1 20 . PHE . 30774 1 21 . LYS . 30774 1 22 . ALA . 30774 1 23 . ALA . 30774 1 24 . PHE . 30774 1 25 . ASP . 30774 1 26 . ILE . 30774 1 27 . PHE . 30774 1 28 . VAL . 30774 1 29 . LEU . 30774 1 30 . GLY . 30774 1 31 . ALA . 30774 1 32 . GLU . 30774 1 33 . ASP . 30774 1 34 . GLY . 30774 1 35 . SER . 30774 1 36 . ILE . 30774 1 37 . SER . 30774 1 38 . THR . 30774 1 39 . LYS . 30774 1 40 . GLU . 30774 1 41 . LEU . 30774 1 42 . GLY . 30774 1 43 . LYS . 30774 1 44 . VAL . 30774 1 45 . MET . 30774 1 46 . ARG . 30774 1 47 . MET . 30774 1 48 . LEU . 30774 1 49 . GLY . 30774 1 50 . GLN . 30774 1 51 . ASN . 30774 1 52 . PRO . 30774 1 53 . THR . 30774 1 54 . PRO . 30774 1 55 . GLU . 30774 1 56 . GLU . 30774 1 57 . LEU . 30774 1 58 . GLN . 30774 1 59 . GLU . 30774 1 60 . MET . 30774 1 61 . ILE . 30774 1 62 . ASP . 30774 1 63 . GLU . 30774 1 64 . VAL . 30774 1 65 . ASP . 30774 1 66 . GLU . 30774 1 67 . ASP . 30774 1 68 . GLY . 30774 1 69 . SER . 30774 1 70 . GLY . 30774 1 71 . THR . 30774 1 72 . VAL . 30774 1 73 . ASP . 30774 1 74 . PHE . 30774 1 75 . ASP . 30774 1 76 . GLU . 30774 1 77 . PHE . 30774 1 78 . LEU . 30774 1 79 . VAL . 30774 1 80 . MET . 30774 1 81 . MET . 30774 1 82 . VAL . 30774 1 83 . ARG . 30774 1 84 . SER . 30774 1 85 . MET . 30774 1 86 . LYS . 30774 1 87 . ASP . 30774 1 88 . ASP . 30774 1 89 . SER . 30774 1 90 . LYS . 30774 1 91 . GLY . 30774 1 92 . LYS . 30774 1 93 . PHE . 30774 1 94 . LYS . 30774 1 95 . ARG . 30774 1 96 . PRO . 30774 1 97 . THR . 30774 1 98 . LEU . 30774 1 99 . ARG . 30774 1 100 . ARG . 30774 1 101 . VAL . 30774 1 102 . ARG . 30774 1 103 . ILE . 30774 1 104 . SER . 30774 1 105 . ALA . 30774 1 106 . ASP . 30774 1 107 . ALA . 30774 1 108 . MET . 30774 1 109 . MET . 30774 1 110 . GLN . 30774 1 111 . ALA . 30774 1 112 . LEU . 30774 1 113 . LEU . 30774 1 114 . GLY . 30774 1 115 . ALA . 30774 1 116 . ARG . 30774 1 117 . ALA . 30774 1 118 . LYS . 30774 1 119 . GLY . 30774 1 120 . HIS . 30774 1 121 . HIS . 30774 1 122 . HIS . 30774 1 123 . HIS . 30774 1 124 . HIS . 30774 1 125 . HIS . 30774 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 30774 1 . ASP 2 2 30774 1 . ASP 3 3 30774 1 . ILE 4 4 30774 1 . TYR 5 5 30774 1 . LYS 6 6 30774 1 . ALA 7 7 30774 1 . ALA 8 8 30774 1 . VAL 9 9 30774 1 . GLU 10 10 30774 1 . GLN 11 11 30774 1 . LEU 12 12 30774 1 . THR 13 13 30774 1 . GLU 14 14 30774 1 . GLU 15 15 30774 1 . GLN 16 16 30774 1 . LYS 17 17 30774 1 . ASN 18 18 30774 1 . GLU 19 19 30774 1 . PHE 20 20 30774 1 . LYS 21 21 30774 1 . ALA 22 22 30774 1 . ALA 23 23 30774 1 . PHE 24 24 30774 1 . ASP 25 25 30774 1 . ILE 26 26 30774 1 . PHE 27 27 30774 1 . VAL 28 28 30774 1 . LEU 29 29 30774 1 . GLY 30 30 30774 1 . ALA 31 31 30774 1 . GLU 32 32 30774 1 . ASP 33 33 30774 1 . GLY 34 34 30774 1 . SER 35 35 30774 1 . ILE 36 36 30774 1 . SER 37 37 30774 1 . THR 38 38 30774 1 . LYS 39 39 30774 1 . GLU 40 40 30774 1 . LEU 41 41 30774 1 . GLY 42 42 30774 1 . LYS 43 43 30774 1 . VAL 44 44 30774 1 . MET 45 45 30774 1 . ARG 46 46 30774 1 . MET 47 47 30774 1 . LEU 48 48 30774 1 . GLY 49 49 30774 1 . GLN 50 50 30774 1 . ASN 51 51 30774 1 . PRO 52 52 30774 1 . THR 53 53 30774 1 . PRO 54 54 30774 1 . GLU 55 55 30774 1 . GLU 56 56 30774 1 . LEU 57 57 30774 1 . GLN 58 58 30774 1 . GLU 59 59 30774 1 . MET 60 60 30774 1 . ILE 61 61 30774 1 . ASP 62 62 30774 1 . GLU 63 63 30774 1 . VAL 64 64 30774 1 . ASP 65 65 30774 1 . GLU 66 66 30774 1 . ASP 67 67 30774 1 . GLY 68 68 30774 1 . SER 69 69 30774 1 . GLY 70 70 30774 1 . THR 71 71 30774 1 . VAL 72 72 30774 1 . ASP 73 73 30774 1 . PHE 74 74 30774 1 . ASP 75 75 30774 1 . GLU 76 76 30774 1 . PHE 77 77 30774 1 . LEU 78 78 30774 1 . VAL 79 79 30774 1 . MET 80 80 30774 1 . MET 81 81 30774 1 . VAL 82 82 30774 1 . ARG 83 83 30774 1 . SER 84 84 30774 1 . MET 85 85 30774 1 . LYS 86 86 30774 1 . ASP 87 87 30774 1 . ASP 88 88 30774 1 . SER 89 89 30774 1 . LYS 90 90 30774 1 . GLY 91 91 30774 1 . LYS 92 92 30774 1 . PHE 93 93 30774 1 . LYS 94 94 30774 1 . ARG 95 95 30774 1 . PRO 96 96 30774 1 . THR 97 97 30774 1 . LEU 98 98 30774 1 . ARG 99 99 30774 1 . ARG 100 100 30774 1 . VAL 101 101 30774 1 . ARG 102 102 30774 1 . ILE 103 103 30774 1 . SER 104 104 30774 1 . ALA 105 105 30774 1 . ASP 106 106 30774 1 . ALA 107 107 30774 1 . MET 108 108 30774 1 . MET 109 109 30774 1 . GLN 110 110 30774 1 . ALA 111 111 30774 1 . LEU 112 112 30774 1 . LEU 113 113 30774 1 . GLY 114 114 30774 1 . ALA 115 115 30774 1 . ARG 116 116 30774 1 . ALA 117 117 30774 1 . LYS 118 118 30774 1 . GLY 119 119 30774 1 . HIS 120 120 30774 1 . HIS 121 121 30774 1 . HIS 122 122 30774 1 . HIS 123 123 30774 1 . HIS 124 124 30774 1 . HIS 125 125 30774 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30774 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 40.078 _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 'CALCIUM ION' BMRB 30774 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30774 2 CA 'Three letter code' 30774 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 CA $chem_comp_CA 30774 2 stop_ save_ save_entity_V8Y _Entity.Sf_category entity _Entity.Sf_framecode entity_V8Y _Entity.Entry_ID 30774 _Entity.ID 3 _Entity.BMRB_code V8Y _Entity.Name entity_V8Y _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 V8Y _Entity.Nonpolymer_comp_label $chem_comp_V8Y _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 369.863 _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 '7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid' BMRB 30774 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid' BMRB 30774 3 V8Y 'Three letter code' 30774 3 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 V8Y $chem_comp_V8Y 30774 3 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 30774 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TNNC1, TNNC, TNNI3' . 30774 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 30774 _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_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30774 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 30774 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 30774 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30774 CA [Ca++] SMILES CACTVS 3.341 30774 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30774 CA [Ca+2] SMILES ACDLabs 10.04 30774 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30774 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30774 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 30774 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30774 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30774 CA stop_ save_ save_chem_comp_V8Y _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_V8Y _Chem_comp.Entry_ID 30774 _Chem_comp.ID V8Y _Chem_comp.Provenance PDB _Chem_comp.Name '7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code V8Y _Chem_comp.PDB_code V8Y _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-21 _Chem_comp.Modified_date 2020-07-21 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code V8Y _Chem_comp.Number_atoms_all 44 _Chem_comp.Number_atoms_nh 24 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21) _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 yes _Chem_comp.Formula 'C17 H20 Cl N O4 S' _Chem_comp.Formula_weight 369.863 _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 7JGI _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 Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1 SMILES ACDLabs 12.01 30774 V8Y InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21) InChI InChI 1.03 30774 V8Y MGDCSPFNRAHLFD-UHFFFAOYSA-N InChIKey InChI 1.03 30774 V8Y OC(=O)CCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 SMILES CACTVS 3.385 30774 V8Y OC(=O)CCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 SMILES_CANONICAL CACTVS 3.385 30774 V8Y c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 2.0.7 30774 V8Y c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.7 30774 V8Y 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 '7-[(5-chloranylnaphthalen-1-yl)sulfonylamino]heptanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.7 30774 V8Y '7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid' 'SYSTEMATIC NAME' ACDLabs 12.01 30774 V8Y 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 CL1 CL1 CL1 CL1 . CL . . N 0 . . . 0 no no . . . . -10.740 . 19.034 . 16.346 . 5.070 3.282 -0.205 1 . 30774 V8Y C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . -12.877 . 23.605 . 18.049 . 2.408 -1.120 -0.648 2 . 30774 V8Y N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -14.090 . 25.746 . 19.380 . 0.156 -1.859 0.752 3 . 30774 V8Y O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -13.040 . 26.130 . 17.043 . 1.069 -3.259 -1.064 4 . 30774 V8Y S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . -12.850 . 25.358 . 18.359 . 1.515 -2.477 0.035 5 . 30774 V8Y C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -14.047 . 22.910 . 18.391 . 2.586 -1.027 -1.994 6 . 30774 V8Y O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -11.488 . 25.731 . 18.944 . 2.320 -2.999 1.084 7 . 30774 V8Y C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . -14.164 . 21.530 . 18.185 . 3.289 0.039 -2.553 8 . 30774 V8Y O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -21.137 . 30.043 . 22.129 . -7.664 1.603 -1.324 9 . 30774 V8Y C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -13.095 . 20.817 . 17.625 . 3.817 1.017 -1.769 10 . 30774 V8Y O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -19.638 . 30.180 . 23.778 . -9.159 1.450 0.297 11 . 30774 V8Y C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -10.775 . 20.757 . 16.675 . 4.185 1.948 0.468 12 . 30774 V8Y C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -9.605 . 21.446 . 16.329 . 4.001 1.857 1.815 13 . 30774 V8Y C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . -9.505 . 22.828 . 16.542 . 3.294 0.795 2.372 14 . 30774 V8Y C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -10.579 . 23.535 . 17.104 . 2.765 -0.184 1.587 15 . 30774 V8Y C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . -11.776 . 22.885 . 17.469 . 2.934 -0.125 0.193 16 . 30774 V8Y C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . -11.887 . 21.468 . 17.255 . 3.654 0.956 -0.375 17 . 30774 V8Y C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -15.400 . 25.960 . 18.733 . -0.861 -1.189 -0.062 18 . 30774 V8Y C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -16.423 . 26.296 . 19.808 . -2.161 -1.076 0.737 19 . 30774 V8Y C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -16.433 . 27.801 . 20.100 . -3.223 -0.376 -0.113 20 . 30774 V8Y C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -17.804 . 28.456 . 19.872 . -4.523 -0.263 0.686 21 . 30774 V8Y C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -18.232 . 29.395 . 21.003 . -5.585 0.437 -0.164 22 . 30774 V8Y C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -19.186 . 28.699 . 21.973 . -6.884 0.551 0.635 23 . 30774 V8Y C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -20.064 . 29.732 . 22.690 . -7.931 1.240 -0.203 24 . 30774 V8Y H17 H17 H17 H1 . H . . N 0 . . . 1 no no . . . . -14.190 . 25.002 . 20.041 . 0.034 -1.941 1.711 25 . 30774 V8Y H21 H21 H21 H2 . H . . N 0 . . . 1 no no . . . . -14.876 . 23.452 . 18.823 . 2.177 -1.791 -2.639 26 . 30774 V8Y H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -15.075 . 21.017 . 18.457 . 3.416 0.088 -3.624 27 . 30774 V8Y H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -13.191 . 19.752 . 17.472 . 4.360 1.837 -2.216 28 . 30774 V8Y H1 H1 H1 H5 . H . . N 0 . . . 1 no no . . . . -20.260 . 30.807 . 24.128 . -9.796 1.896 -0.278 29 . 30774 V8Y H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -8.775 . 20.909 . 15.895 . 4.410 2.621 2.460 30 . 30774 V8Y H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -8.599 . 23.350 . 16.273 . 3.162 0.747 3.443 31 . 30774 V8Y H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -10.487 . 24.600 . 17.260 . 2.219 -1.002 2.033 32 . 30774 V8Y H11 H11 H11 H9 . H . . N 0 . . . 1 no no . . . . -15.328 . 26.792 . 18.017 . -0.512 -0.192 -0.331 33 . 30774 V8Y H8L H8L H8L H10 . H . . N 0 . . . 1 no no . . . . -15.706 . 25.046 . 18.203 . -1.041 -1.768 -0.968 34 . 30774 V8Y H12 H12 H12 H11 . H . . N 0 . . . 1 no no . . . . -17.422 . 25.989 . 19.464 . -2.510 -2.073 1.006 35 . 30774 V8Y H8M H8M H8M H12 . H . . N 0 . . . 1 no no . . . . -16.169 . 25.752 . 20.730 . -1.981 -0.497 1.643 36 . 30774 V8Y H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -16.143 . 27.955 . 21.150 . -2.874 0.621 -0.382 37 . 30774 V8Y H8O H8O H8O H14 . H . . N 0 . . . 1 no no . . . . -15.699 . 28.289 . 19.442 . -3.402 -0.955 -1.019 38 . 30774 V8Y H14 H14 H14 H15 . H . . N 0 . . . 1 no no . . . . -17.762 . 29.035 . 18.937 . -4.872 -1.260 0.955 39 . 30774 V8Y H8N H8N H8N H16 . H . . N 0 . . . 1 no no . . . . -18.558 . 27.660 . 19.777 . -4.343 0.316 1.592 40 . 30774 V8Y H15 H15 H15 H17 . H . . N 0 . . . 1 no no . . . . -17.338 . 29.723 . 21.554 . -5.236 1.434 -0.434 41 . 30774 V8Y H8P H8P H8P H18 . H . . N 0 . . . 1 no no . . . . -18.738 . 30.270 . 20.570 . -5.764 -0.142 -1.070 42 . 30774 V8Y H16 H16 H16 H19 . H . . N 0 . . . 1 no no . . . . -19.828 . 28.003 . 21.413 . -7.233 -0.446 0.904 43 . 30774 V8Y H8Q H8Q H8Q H20 . H . . N 0 . . . 1 no no . . . . -18.601 . 28.140 . 22.718 . -6.705 1.130 1.541 44 . 30774 V8Y 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 . DOUB C6 C7 yes N 1 . 30774 V8Y 2 . SING C6 C5 yes N 2 . 30774 V8Y 3 . SING CL1 C5 no N 3 . 30774 V8Y 4 . SING C7 C8 yes N 4 . 30774 V8Y 5 . DOUB C5 C10 yes N 5 . 30774 V8Y 6 . DOUB O1 S1 no N 6 . 30774 V8Y 7 . DOUB C8 C9 yes N 7 . 30774 V8Y 8 . SING C10 C9 yes N 8 . 30774 V8Y 9 . SING C10 C4 yes N 9 . 30774 V8Y 10 . SING C9 C1 yes N 10 . 30774 V8Y 11 . DOUB C4 C3 yes N 11 . 30774 V8Y 12 . SING C1 S1 no N 12 . 30774 V8Y 13 . DOUB C1 C2 yes N 13 . 30774 V8Y 14 . SING C3 C2 yes N 14 . 30774 V8Y 15 . DOUB S1 O2 no N 15 . 30774 V8Y 16 . SING S1 N1 no N 16 . 30774 V8Y 17 . SING C11 N1 no N 17 . 30774 V8Y 18 . SING C11 C12 no N 18 . 30774 V8Y 19 . SING C12 C13 no N 19 . 30774 V8Y 20 . SING C14 C13 no N 20 . 30774 V8Y 21 . SING C14 C15 no N 21 . 30774 V8Y 22 . SING C15 C16 no N 22 . 30774 V8Y 23 . SING C16 C17 no N 23 . 30774 V8Y 24 . DOUB O3 C17 no N 24 . 30774 V8Y 25 . SING C17 O4 no N 25 . 30774 V8Y 26 . SING N1 H17 no N 26 . 30774 V8Y 27 . SING C2 H21 no N 27 . 30774 V8Y 28 . SING C3 H3 no N 28 . 30774 V8Y 29 . SING C4 H4 no N 29 . 30774 V8Y 30 . SING O4 H1 no N 30 . 30774 V8Y 31 . SING C6 H6 no N 31 . 30774 V8Y 32 . SING C7 H7 no N 32 . 30774 V8Y 33 . SING C8 H8 no N 33 . 30774 V8Y 34 . SING C11 H11 no N 34 . 30774 V8Y 35 . SING C11 H8L no N 35 . 30774 V8Y 36 . SING C12 H12 no N 36 . 30774 V8Y 37 . SING C12 H8M no N 37 . 30774 V8Y 38 . SING C13 H13 no N 38 . 30774 V8Y 39 . SING C13 H8O no N 39 . 30774 V8Y 40 . SING C14 H14 no N 40 . 30774 V8Y 41 . SING C14 H8N no N 41 . 30774 V8Y 42 . SING C15 H15 no N 42 . 30774 V8Y 43 . SING C15 H8P no N 43 . 30774 V8Y 44 . SING C16 H16 no N 44 . 30774 V8Y 45 . SING C16 H8Q no N 45 . 30774 V8Y stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30774 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 1.5 mM A7, 1 % [U-99% 2H] DMSO, 95% H2O/5% D2O ; _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 cChimera_protein [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 30774 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30774 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 30774 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30774 1 5 DSS '[U-99% 2H]' . . . . . . 0.25 . . mM . . . . 30774 1 6 A7 'natural abundance' . . . . . . 1.5 . . mM . . . . 30774 1 7 DMSO '[U-99% 2H]' . . . . . . 1 . . % . . . . 30774 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30774 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 0.7 mM A7, 1 mM [U-99% 2H] DMSO, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 cChimera_protein [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 30774 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30774 2 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 30774 2 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30774 2 5 DSS '[U-99% 2H]' . . . . . . 0.25 . . mM . . . . 30774 2 6 A7 'natural abundance' . . . . . . 0.7 . . mM . . . . 30774 2 7 DMSO '[U-99% 2H]' . . . . . . 1 . . mM . . . . 30774 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30774 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 0.1 pH 30774 1 pressure 1 . atm 30774 1 temperature 303 . K 30774 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30774 _Software.ID 1 _Software.Type . _Software.Name VnmrJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30774 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30774 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30774 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30774 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30774 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30774 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30774 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30774 3 . 'peak picking' 30774 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30774 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30774 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30774 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30774 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30774 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30774 5 . 'structure calculation' 30774 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30774 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30774 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Varian INOVA . 600 . . . 30774 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 30774 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30774 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30774 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30774 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30774 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30774 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30774 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30774 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30774 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30774 1 2 '2D 1H-13C HSQC' . . . 30774 1 3 '3D 1H-13C NOESY' . . . 30774 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 3.9500 0.0000 . 1 . . . . A 1 MET HA . 30774 1 2 . 1 . 1 1 1 MET HB2 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HB2 . 30774 1 3 . 1 . 1 1 1 MET HB3 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HB3 . 30774 1 4 . 1 . 1 1 1 MET HG2 H 1 2.5990 0.0000 . 2 . . . . A 1 MET HG2 . 30774 1 5 . 1 . 1 1 1 MET HG3 H 1 2.5540 0.0000 . 2 . . . . A 1 MET HG3 . 30774 1 6 . 1 . 1 1 1 MET HE1 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE1 . 30774 1 7 . 1 . 1 1 1 MET HE2 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE2 . 30774 1 8 . 1 . 1 1 1 MET HE3 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE3 . 30774 1 9 . 1 . 1 1 1 MET CA C 13 55.1400 0.0000 . 1 . . . . A 1 MET CA . 30774 1 10 . 1 . 1 1 1 MET CB C 13 34.1400 0.0000 . 1 . . . . A 1 MET CB . 30774 1 11 . 1 . 1 1 1 MET CG C 13 31.1000 0.0000 . 1 . . . . A 1 MET CG . 30774 1 12 . 1 . 1 1 1 MET CE C 13 16.8000 0.0000 . 1 . . . . A 1 MET CE . 30774 1 13 . 1 . 1 2 2 ASP HA H 1 4.6200 0.0000 . 1 . . . . A 2 ASP HA . 30774 1 14 . 1 . 1 2 2 ASP HB2 H 1 2.6500 0.0000 . 2 . . . . A 2 ASP HB2 . 30774 1 15 . 1 . 1 2 2 ASP HB3 H 1 2.7000 0.0000 . 2 . . . . A 2 ASP HB3 . 30774 1 16 . 1 . 1 2 2 ASP C C 13 176.2060 0.0000 . 1 . . . . A 2 ASP C . 30774 1 17 . 1 . 1 2 2 ASP CA C 13 54.7000 0.0000 . 1 . . . . A 2 ASP CA . 30774 1 18 . 1 . 1 2 2 ASP CB C 13 41.6000 0.0000 . 1 . . . . A 2 ASP CB . 30774 1 19 . 1 . 1 3 3 ASP H H 1 8.5220 0.0000 . 1 . . . . A 3 ASP H . 30774 1 20 . 1 . 1 3 3 ASP HA H 1 4.4740 0.0000 . 1 . . . . A 3 ASP HA . 30774 1 21 . 1 . 1 3 3 ASP HB2 H 1 2.6530 0.0000 . 2 . . . . A 3 ASP HB2 . 30774 1 22 . 1 . 1 3 3 ASP HB3 H 1 2.7060 0.0000 . 2 . . . . A 3 ASP HB3 . 30774 1 23 . 1 . 1 3 3 ASP C C 13 177.7800 0.0000 . 1 . . . . A 3 ASP C . 30774 1 24 . 1 . 1 3 3 ASP CA C 13 55.7500 0.0000 . 1 . . . . A 3 ASP CA . 30774 1 25 . 1 . 1 3 3 ASP CB C 13 41.1560 0.0000 . 1 . . . . A 3 ASP CB . 30774 1 26 . 1 . 1 3 3 ASP N N 15 122.6050 0.0000 . 1 . . . . A 3 ASP N . 30774 1 27 . 1 . 1 4 4 ILE H H 1 8.2150 0.0000 . 1 . . . . A 4 ILE H . 30774 1 28 . 1 . 1 4 4 ILE HA H 1 3.9100 0.0000 . 1 . . . . A 4 ILE HA . 30774 1 29 . 1 . 1 4 4 ILE HB H 1 1.6770 0.0000 . 1 . . . . A 4 ILE HB . 30774 1 30 . 1 . 1 4 4 ILE HG12 H 1 0.9510 0.0000 . 1 . . . . A 4 ILE HG12 . 30774 1 31 . 1 . 1 4 4 ILE HG13 H 1 0.9510 0.0000 . 1 . . . . A 4 ILE HG13 . 30774 1 32 . 1 . 1 4 4 ILE HG21 H 1 0.5950 0.0000 . 1 . . . . A 4 ILE HG21 . 30774 1 33 . 1 . 1 4 4 ILE HG22 H 1 0.5950 0.0000 . 1 . . . . A 4 ILE HG22 . 30774 1 34 . 1 . 1 4 4 ILE HG23 H 1 0.5950 0.0000 . 1 . . . . A 4 ILE HG23 . 30774 1 35 . 1 . 1 4 4 ILE HD11 H 1 0.6860 0.0000 . 1 . . . . A 4 ILE HD11 . 30774 1 36 . 1 . 1 4 4 ILE HD12 H 1 0.6860 0.0000 . 1 . . . . A 4 ILE HD12 . 30774 1 37 . 1 . 1 4 4 ILE HD13 H 1 0.6860 0.0000 . 1 . . . . A 4 ILE HD13 . 30774 1 38 . 1 . 1 4 4 ILE C C 13 177.6240 0.0000 . 1 . . . . A 4 ILE C . 30774 1 39 . 1 . 1 4 4 ILE CA C 13 63.4800 0.0000 . 1 . . . . A 4 ILE CA . 30774 1 40 . 1 . 1 4 4 ILE CB C 13 37.7200 0.0000 . 1 . . . . A 4 ILE CB . 30774 1 41 . 1 . 1 4 4 ILE CG1 C 13 27.0700 0.0000 . 1 . . . . A 4 ILE CG1 . 30774 1 42 . 1 . 1 4 4 ILE CG2 C 13 17.1800 0.0000 . 1 . . . . A 4 ILE CG2 . 30774 1 43 . 1 . 1 4 4 ILE CD1 C 13 13.3200 0.0000 . 1 . . . . A 4 ILE CD1 . 30774 1 44 . 1 . 1 4 4 ILE N N 15 119.5430 0.0000 . 1 . . . . A 4 ILE N . 30774 1 45 . 1 . 1 5 5 TYR H H 1 7.6880 0.0000 . 1 . . . . A 5 TYR H . 30774 1 46 . 1 . 1 5 5 TYR HA H 1 4.4100 0.0000 . 1 . . . . A 5 TYR HA . 30774 1 47 . 1 . 1 5 5 TYR HB2 H 1 3.0700 0.0000 . 2 . . . . A 5 TYR HB2 . 30774 1 48 . 1 . 1 5 5 TYR HB3 H 1 2.9370 0.0000 . 2 . . . . A 5 TYR HB3 . 30774 1 49 . 1 . 1 5 5 TYR HD1 H 1 6.7830 0.0000 . 3 . . . . A 5 TYR HD1 . 30774 1 50 . 1 . 1 5 5 TYR HE1 H 1 7.0350 0.0000 . 3 . . . . A 5 TYR HE1 . 30774 1 51 . 1 . 1 5 5 TYR C C 13 177.0120 0.0000 . 1 . . . . A 5 TYR C . 30774 1 52 . 1 . 1 5 5 TYR CA C 13 59.8000 0.0000 . 1 . . . . A 5 TYR CA . 30774 1 53 . 1 . 1 5 5 TYR CB C 13 37.7300 0.0000 . 1 . . . . A 5 TYR CB . 30774 1 54 . 1 . 1 5 5 TYR CD1 C 13 132.5400 0.0000 . 1 . . . . A 5 TYR CD1 . 30774 1 55 . 1 . 1 5 5 TYR CE1 C 13 118.6300 0.0000 . 1 . . . . A 5 TYR CE1 . 30774 1 56 . 1 . 1 5 5 TYR N N 15 121.0220 0.0000 . 1 . . . . A 5 TYR N . 30774 1 57 . 1 . 1 6 6 LYS H H 1 7.9300 0.0000 . 1 . . . . A 6 LYS H . 30774 1 58 . 1 . 1 6 6 LYS HA H 1 3.9700 0.0000 . 1 . . . . A 6 LYS HA . 30774 1 59 . 1 . 1 6 6 LYS HB2 H 1 1.8500 0.0000 . 2 . . . . A 6 LYS HB2 . 30774 1 60 . 1 . 1 6 6 LYS HB3 H 1 1.8500 0.0000 . 2 . . . . A 6 LYS HB3 . 30774 1 61 . 1 . 1 6 6 LYS HG2 H 1 1.3100 0.0000 . 2 . . . . A 6 LYS HG2 . 30774 1 62 . 1 . 1 6 6 LYS HG3 H 1 1.6000 0.0000 . 2 . . . . A 6 LYS HG3 . 30774 1 63 . 1 . 1 6 6 LYS HD2 H 1 1.7160 0.0000 . 2 . . . . A 6 LYS HD2 . 30774 1 64 . 1 . 1 6 6 LYS HD3 H 1 1.7280 0.0000 . 2 . . . . A 6 LYS HD3 . 30774 1 65 . 1 . 1 6 6 LYS HE2 H 1 2.9900 0.0000 . 2 . . . . A 6 LYS HE2 . 30774 1 66 . 1 . 1 6 6 LYS HE3 H 1 2.9900 0.0000 . 2 . . . . A 6 LYS HE3 . 30774 1 67 . 1 . 1 6 6 LYS C C 13 178.8590 0.0000 . 1 . . . . A 6 LYS C . 30774 1 68 . 1 . 1 6 6 LYS CA C 13 59.3300 0.0000 . 1 . . . . A 6 LYS CA . 30774 1 69 . 1 . 1 6 6 LYS CB C 13 32.3170 0.0000 . 1 . . . . A 6 LYS CB . 30774 1 70 . 1 . 1 6 6 LYS CG C 13 25.1700 0.0000 . 1 . . . . A 6 LYS CG . 30774 1 71 . 1 . 1 6 6 LYS CD C 13 29.2670 0.0000 . 1 . . . . A 6 LYS CD . 30774 1 72 . 1 . 1 6 6 LYS CE C 13 41.8500 0.0000 . 1 . . . . A 6 LYS CE . 30774 1 73 . 1 . 1 6 6 LYS N N 15 121.0380 0.0000 . 1 . . . . A 6 LYS N . 30774 1 74 . 1 . 1 7 7 ALA H H 1 7.9290 0.0000 . 1 . . . . A 7 ALA H . 30774 1 75 . 1 . 1 7 7 ALA HA H 1 4.1580 0.0000 . 1 . . . . A 7 ALA HA . 30774 1 76 . 1 . 1 7 7 ALA HB1 H 1 1.4000 0.0000 . 1 . . . . A 7 ALA HB1 . 30774 1 77 . 1 . 1 7 7 ALA HB2 H 1 1.4000 0.0000 . 1 . . . . A 7 ALA HB2 . 30774 1 78 . 1 . 1 7 7 ALA HB3 H 1 1.4000 0.0000 . 1 . . . . A 7 ALA HB3 . 30774 1 79 . 1 . 1 7 7 ALA C C 13 179.6730 0.0000 . 1 . . . . A 7 ALA C . 30774 1 80 . 1 . 1 7 7 ALA CA C 13 54.4000 0.0000 . 1 . . . . A 7 ALA CA . 30774 1 81 . 1 . 1 7 7 ALA CB C 13 17.9700 0.0000 . 1 . . . . A 7 ALA CB . 30774 1 82 . 1 . 1 7 7 ALA N N 15 120.3470 0.0000 . 1 . . . . A 7 ALA N . 30774 1 83 . 1 . 1 8 8 ALA H H 1 7.5070 0.0000 . 1 . . . . A 8 ALA H . 30774 1 84 . 1 . 1 8 8 ALA HA H 1 4.1520 0.0000 . 1 . . . . A 8 ALA HA . 30774 1 85 . 1 . 1 8 8 ALA HB1 H 1 1.5300 0.0000 . 1 . . . . A 8 ALA HB1 . 30774 1 86 . 1 . 1 8 8 ALA HB2 H 1 1.5300 0.0000 . 1 . . . . A 8 ALA HB2 . 30774 1 87 . 1 . 1 8 8 ALA HB3 H 1 1.5300 0.0000 . 1 . . . . A 8 ALA HB3 . 30774 1 88 . 1 . 1 8 8 ALA C C 13 180.7790 0.0000 . 1 . . . . A 8 ALA C . 30774 1 89 . 1 . 1 8 8 ALA CA C 13 54.5000 0.0000 . 1 . . . . A 8 ALA CA . 30774 1 90 . 1 . 1 8 8 ALA CB C 13 18.3800 0.0000 . 1 . . . . A 8 ALA CB . 30774 1 91 . 1 . 1 8 8 ALA N N 15 119.9050 0.0000 . 1 . . . . A 8 ALA N . 30774 1 92 . 1 . 1 9 9 VAL H H 1 8.0640 0.0000 . 1 . . . . A 9 VAL H . 30774 1 93 . 1 . 1 9 9 VAL HA H 1 3.5960 0.0000 . 1 . . . . A 9 VAL HA . 30774 1 94 . 1 . 1 9 9 VAL HB H 1 2.2000 0.0000 . 1 . . . . A 9 VAL HB . 30774 1 95 . 1 . 1 9 9 VAL HG11 H 1 0.9200 0.0000 . 1 . . . . A 9 VAL HG11 . 30774 1 96 . 1 . 1 9 9 VAL HG12 H 1 0.9200 0.0000 . 1 . . . . A 9 VAL HG12 . 30774 1 97 . 1 . 1 9 9 VAL HG13 H 1 0.9200 0.0000 . 1 . . . . A 9 VAL HG13 . 30774 1 98 . 1 . 1 9 9 VAL HG21 H 1 0.9700 0.0000 . 1 . . . . A 9 VAL HG21 . 30774 1 99 . 1 . 1 9 9 VAL HG22 H 1 0.9700 0.0000 . 1 . . . . A 9 VAL HG22 . 30774 1 100 . 1 . 1 9 9 VAL HG23 H 1 0.9700 0.0000 . 1 . . . . A 9 VAL HG23 . 30774 1 101 . 1 . 1 9 9 VAL C C 13 178.7110 0.0000 . 1 . . . . A 9 VAL C . 30774 1 102 . 1 . 1 9 9 VAL CA C 13 65.9420 0.0000 . 1 . . . . A 9 VAL CA . 30774 1 103 . 1 . 1 9 9 VAL CB C 13 31.7900 0.0000 . 1 . . . . A 9 VAL CB . 30774 1 104 . 1 . 1 9 9 VAL CG1 C 13 21.9500 0.0000 . 1 . . . . A 9 VAL CG1 . 30774 1 105 . 1 . 1 9 9 VAL CG2 C 13 23.2500 0.0000 . 1 . . . . A 9 VAL CG2 . 30774 1 106 . 1 . 1 9 9 VAL N N 15 118.7950 0.0000 . 1 . . . . A 9 VAL N . 30774 1 107 . 1 . 1 10 10 GLU H H 1 7.8520 0.0000 . 1 . . . . A 10 GLU H . 30774 1 108 . 1 . 1 10 10 GLU HA H 1 4.1150 0.0000 . 1 . . . . A 10 GLU HA . 30774 1 109 . 1 . 1 10 10 GLU HB2 H 1 2.1370 0.0000 . 2 . . . . A 10 GLU HB2 . 30774 1 110 . 1 . 1 10 10 GLU HB3 H 1 2.1370 0.0000 . 2 . . . . A 10 GLU HB3 . 30774 1 111 . 1 . 1 10 10 GLU HG2 H 1 2.4470 0.0000 . 2 . . . . A 10 GLU HG2 . 30774 1 112 . 1 . 1 10 10 GLU HG3 H 1 2.3200 0.0000 . 2 . . . . A 10 GLU HG3 . 30774 1 113 . 1 . 1 10 10 GLU C C 13 177.3440 0.0000 . 1 . . . . A 10 GLU C . 30774 1 114 . 1 . 1 10 10 GLU CA C 13 58.1600 0.0000 . 1 . . . . A 10 GLU CA . 30774 1 115 . 1 . 1 10 10 GLU CB C 13 29.4500 0.0000 . 1 . . . . A 10 GLU CB . 30774 1 116 . 1 . 1 10 10 GLU CG C 13 36.5000 0.0000 . 1 . . . . A 10 GLU CG . 30774 1 117 . 1 . 1 10 10 GLU N N 15 118.8580 0.0000 . 1 . . . . A 10 GLU N . 30774 1 118 . 1 . 1 11 11 GLN H H 1 7.3850 0.0000 . 1 . . . . A 11 GLN H . 30774 1 119 . 1 . 1 11 11 GLN HA H 1 4.2900 0.0000 . 1 . . . . A 11 GLN HA . 30774 1 120 . 1 . 1 11 11 GLN HB2 H 1 2.3200 0.0000 . 2 . . . . A 11 GLN HB2 . 30774 1 121 . 1 . 1 11 11 GLN HB3 H 1 2.0500 0.0000 . 2 . . . . A 11 GLN HB3 . 30774 1 122 . 1 . 1 11 11 GLN HG2 H 1 2.4750 0.0000 . 2 . . . . A 11 GLN HG2 . 30774 1 123 . 1 . 1 11 11 GLN HG3 H 1 2.4750 0.0000 . 2 . . . . A 11 GLN HG3 . 30774 1 124 . 1 . 1 11 11 GLN C C 13 176.8390 0.0000 . 1 . . . . A 11 GLN C . 30774 1 125 . 1 . 1 11 11 GLN CA C 13 55.5500 0.0000 . 1 . . . . A 11 GLN CA . 30774 1 126 . 1 . 1 11 11 GLN CB C 13 29.3000 0.0000 . 1 . . . . A 11 GLN CB . 30774 1 127 . 1 . 1 11 11 GLN CG C 13 34.0100 0.0000 . 1 . . . . A 11 GLN CG . 30774 1 128 . 1 . 1 11 11 GLN N N 15 115.0020 0.0000 . 1 . . . . A 11 GLN N . 30774 1 129 . 1 . 1 12 12 LEU H H 1 7.3900 0.0000 . 1 . . . . A 12 LEU H . 30774 1 130 . 1 . 1 12 12 LEU HA H 1 4.5240 0.0000 . 1 . . . . A 12 LEU HA . 30774 1 131 . 1 . 1 12 12 LEU HB2 H 1 1.4470 0.0000 . 2 . . . . A 12 LEU HB2 . 30774 1 132 . 1 . 1 12 12 LEU HB3 H 1 1.9300 0.0000 . 2 . . . . A 12 LEU HB3 . 30774 1 133 . 1 . 1 12 12 LEU HG H 1 2.1440 0.0000 . 1 . . . . A 12 LEU HG . 30774 1 134 . 1 . 1 12 12 LEU HD11 H 1 0.9670 0.0000 . 1 . . . . A 12 LEU HD11 . 30774 1 135 . 1 . 1 12 12 LEU HD12 H 1 0.9670 0.0000 . 1 . . . . A 12 LEU HD12 . 30774 1 136 . 1 . 1 12 12 LEU HD13 H 1 0.9670 0.0000 . 1 . . . . A 12 LEU HD13 . 30774 1 137 . 1 . 1 12 12 LEU HD21 H 1 0.9180 0.0000 . 1 . . . . A 12 LEU HD21 . 30774 1 138 . 1 . 1 12 12 LEU HD22 H 1 0.9180 0.0000 . 1 . . . . A 12 LEU HD22 . 30774 1 139 . 1 . 1 12 12 LEU HD23 H 1 0.9180 0.0000 . 1 . . . . A 12 LEU HD23 . 30774 1 140 . 1 . 1 12 12 LEU C C 13 178.0150 0.0000 . 1 . . . . A 12 LEU C . 30774 1 141 . 1 . 1 12 12 LEU CA C 13 54.9000 0.0000 . 1 . . . . A 12 LEU CA . 30774 1 142 . 1 . 1 12 12 LEU CB C 13 43.1600 0.0000 . 1 . . . . A 12 LEU CB . 30774 1 143 . 1 . 1 12 12 LEU CG C 13 26.3600 0.0000 . 1 . . . . A 12 LEU CG . 30774 1 144 . 1 . 1 12 12 LEU CD1 C 13 27.3000 0.0000 . 1 . . . . A 12 LEU CD1 . 30774 1 145 . 1 . 1 12 12 LEU CD2 C 13 23.1500 0.0000 . 1 . . . . A 12 LEU CD2 . 30774 1 146 . 1 . 1 12 12 LEU N N 15 120.7450 0.0000 . 1 . . . . A 12 LEU N . 30774 1 147 . 1 . 1 13 13 THR H H 1 8.8610 0.0000 . 1 . . . . A 13 THR H . 30774 1 148 . 1 . 1 13 13 THR HA H 1 4.4320 0.0000 . 1 . . . . A 13 THR HA . 30774 1 149 . 1 . 1 13 13 THR HB H 1 4.8130 0.0000 . 1 . . . . A 13 THR HB . 30774 1 150 . 1 . 1 13 13 THR HG21 H 1 1.3890 0.0000 . 1 . . . . A 13 THR HG21 . 30774 1 151 . 1 . 1 13 13 THR HG22 H 1 1.3890 0.0000 . 1 . . . . A 13 THR HG22 . 30774 1 152 . 1 . 1 13 13 THR HG23 H 1 1.3890 0.0000 . 1 . . . . A 13 THR HG23 . 30774 1 153 . 1 . 1 13 13 THR C C 13 175.6260 0.0000 . 1 . . . . A 13 THR C . 30774 1 154 . 1 . 1 13 13 THR CA C 13 60.6000 0.0000 . 1 . . . . A 13 THR CA . 30774 1 155 . 1 . 1 13 13 THR CB C 13 70.9200 0.0000 . 1 . . . . A 13 THR CB . 30774 1 156 . 1 . 1 13 13 THR CG2 C 13 21.8400 0.0000 . 1 . . . . A 13 THR CG2 . 30774 1 157 . 1 . 1 13 13 THR N N 15 113.7550 0.0000 . 1 . . . . A 13 THR N . 30774 1 158 . 1 . 1 14 14 GLU H H 1 8.9940 0.0000 . 1 . . . . A 14 GLU H . 30774 1 159 . 1 . 1 14 14 GLU HA H 1 3.9600 0.0000 . 1 . . . . A 14 GLU HA . 30774 1 160 . 1 . 1 14 14 GLU HB2 H 1 2.0500 0.0000 . 2 . . . . A 14 GLU HB2 . 30774 1 161 . 1 . 1 14 14 GLU HB3 H 1 2.0500 0.0000 . 2 . . . . A 14 GLU HB3 . 30774 1 162 . 1 . 1 14 14 GLU HG2 H 1 2.3860 0.0000 . 2 . . . . A 14 GLU HG2 . 30774 1 163 . 1 . 1 14 14 GLU HG3 H 1 2.3470 0.0000 . 2 . . . . A 14 GLU HG3 . 30774 1 164 . 1 . 1 14 14 GLU C C 13 178.7290 0.0000 . 1 . . . . A 14 GLU C . 30774 1 165 . 1 . 1 14 14 GLU CA C 13 59.7000 0.0000 . 1 . . . . A 14 GLU CA . 30774 1 166 . 1 . 1 14 14 GLU CB C 13 29.3000 0.0000 . 1 . . . . A 14 GLU CB . 30774 1 167 . 1 . 1 14 14 GLU CG C 13 36.1750 0.0000 . 1 . . . . A 14 GLU CG . 30774 1 168 . 1 . 1 14 14 GLU N N 15 121.7810 0.0000 . 1 . . . . A 14 GLU N . 30774 1 169 . 1 . 1 15 15 GLU H H 1 8.5570 0.0000 . 1 . . . . A 15 GLU H . 30774 1 170 . 1 . 1 15 15 GLU HA H 1 4.0400 0.0000 . 1 . . . . A 15 GLU HA . 30774 1 171 . 1 . 1 15 15 GLU HB2 H 1 1.9100 0.0000 . 2 . . . . A 15 GLU HB2 . 30774 1 172 . 1 . 1 15 15 GLU HB3 H 1 1.9100 0.0000 . 2 . . . . A 15 GLU HB3 . 30774 1 173 . 1 . 1 15 15 GLU HG2 H 1 2.3000 0.0000 . 2 . . . . A 15 GLU HG2 . 30774 1 174 . 1 . 1 15 15 GLU HG3 H 1 2.3000 0.0000 . 2 . . . . A 15 GLU HG3 . 30774 1 175 . 1 . 1 15 15 GLU C C 13 179.4860 0.0000 . 1 . . . . A 15 GLU C . 30774 1 176 . 1 . 1 15 15 GLU CA C 13 60.1300 0.0000 . 1 . . . . A 15 GLU CA . 30774 1 177 . 1 . 1 15 15 GLU CB C 13 29.2000 0.0000 . 1 . . . . A 15 GLU CB . 30774 1 178 . 1 . 1 15 15 GLU CG C 13 36.8500 0.0000 . 1 . . . . A 15 GLU CG . 30774 1 179 . 1 . 1 15 15 GLU N N 15 117.7610 0.0000 . 1 . . . . A 15 GLU N . 30774 1 180 . 1 . 1 16 16 GLN H H 1 7.8220 0.0000 . 1 . . . . A 16 GLN H . 30774 1 181 . 1 . 1 16 16 GLN HA H 1 3.8700 0.0000 . 1 . . . . A 16 GLN HA . 30774 1 182 . 1 . 1 16 16 GLN HB2 H 1 1.6600 0.0000 . 2 . . . . A 16 GLN HB2 . 30774 1 183 . 1 . 1 16 16 GLN HB3 H 1 2.3550 0.0000 . 2 . . . . A 16 GLN HB3 . 30774 1 184 . 1 . 1 16 16 GLN HG2 H 1 2.3340 0.0000 . 2 . . . . A 16 GLN HG2 . 30774 1 185 . 1 . 1 16 16 GLN HG3 H 1 2.2420 0.0000 . 2 . . . . A 16 GLN HG3 . 30774 1 186 . 1 . 1 16 16 GLN C C 13 178.7640 0.0000 . 1 . . . . A 16 GLN C . 30774 1 187 . 1 . 1 16 16 GLN CA C 13 58.6400 0.0000 . 1 . . . . A 16 GLN CA . 30774 1 188 . 1 . 1 16 16 GLN CB C 13 29.7400 0.0000 . 1 . . . . A 16 GLN CB . 30774 1 189 . 1 . 1 16 16 GLN CG C 13 34.9100 0.0000 . 1 . . . . A 16 GLN CG . 30774 1 190 . 1 . 1 16 16 GLN N N 15 119.2620 0.0000 . 1 . . . . A 16 GLN N . 30774 1 191 . 1 . 1 17 17 LYS H H 1 8.5340 0.0000 . 1 . . . . A 17 LYS H . 30774 1 192 . 1 . 1 17 17 LYS HA H 1 4.0000 0.0000 . 1 . . . . A 17 LYS HA . 30774 1 193 . 1 . 1 17 17 LYS HB2 H 1 2.0100 0.0000 . 2 . . . . A 17 LYS HB2 . 30774 1 194 . 1 . 1 17 17 LYS HB3 H 1 2.0100 0.0000 . 2 . . . . A 17 LYS HB3 . 30774 1 195 . 1 . 1 17 17 LYS HG2 H 1 1.7230 0.0000 . 2 . . . . A 17 LYS HG2 . 30774 1 196 . 1 . 1 17 17 LYS HG3 H 1 1.4700 0.0000 . 2 . . . . A 17 LYS HG3 . 30774 1 197 . 1 . 1 17 17 LYS HD2 H 1 2.5630 0.0000 . 2 . . . . A 17 LYS HD2 . 30774 1 198 . 1 . 1 17 17 LYS HD3 H 1 2.5030 0.0000 . 2 . . . . A 17 LYS HD3 . 30774 1 199 . 1 . 1 17 17 LYS HE2 H 1 2.8750 0.0000 . 2 . . . . A 17 LYS HE2 . 30774 1 200 . 1 . 1 17 17 LYS HE3 H 1 2.8750 0.0000 . 2 . . . . A 17 LYS HE3 . 30774 1 201 . 1 . 1 17 17 LYS C C 13 178.7290 0.0000 . 1 . . . . A 17 LYS C . 30774 1 202 . 1 . 1 17 17 LYS CA C 13 61.5500 0.0000 . 1 . . . . A 17 LYS CA . 30774 1 203 . 1 . 1 17 17 LYS CB C 13 32.1800 0.0000 . 1 . . . . A 17 LYS CB . 30774 1 204 . 1 . 1 17 17 LYS CG C 13 27.0000 0.0000 . 1 . . . . A 17 LYS CG . 30774 1 205 . 1 . 1 17 17 LYS CD C 13 37.6760 0.0000 . 1 . . . . A 17 LYS CD . 30774 1 206 . 1 . 1 17 17 LYS CE C 13 41.7200 0.0000 . 1 . . . . A 17 LYS CE . 30774 1 207 . 1 . 1 17 17 LYS N N 15 118.9330 0.0000 . 1 . . . . A 17 LYS N . 30774 1 208 . 1 . 1 18 18 ASN H H 1 8.5430 0.0000 . 1 . . . . A 18 ASN H . 30774 1 209 . 1 . 1 18 18 ASN HA H 1 4.5500 0.0000 . 1 . . . . A 18 ASN HA . 30774 1 210 . 1 . 1 18 18 ASN HB2 H 1 2.8000 0.0000 . 2 . . . . A 18 ASN HB2 . 30774 1 211 . 1 . 1 18 18 ASN HB3 H 1 2.9900 0.0000 . 2 . . . . A 18 ASN HB3 . 30774 1 212 . 1 . 1 18 18 ASN C C 13 178.7140 0.0000 . 1 . . . . A 18 ASN C . 30774 1 213 . 1 . 1 18 18 ASN CA C 13 55.7600 0.0000 . 1 . . . . A 18 ASN CA . 30774 1 214 . 1 . 1 18 18 ASN CB C 13 37.6600 0.0000 . 1 . . . . A 18 ASN CB . 30774 1 215 . 1 . 1 18 18 ASN N N 15 117.7330 0.0000 . 1 . . . . A 18 ASN N . 30774 1 216 . 1 . 1 19 19 GLU H H 1 8.0300 0.0000 . 1 . . . . A 19 GLU H . 30774 1 217 . 1 . 1 19 19 GLU HA H 1 4.1730 0.0000 . 1 . . . . A 19 GLU HA . 30774 1 218 . 1 . 1 19 19 GLU HB2 H 1 2.0200 0.0000 . 2 . . . . A 19 GLU HB2 . 30774 1 219 . 1 . 1 19 19 GLU HB3 H 1 1.9000 0.0000 . 2 . . . . A 19 GLU HB3 . 30774 1 220 . 1 . 1 19 19 GLU HG2 H 1 2.1600 0.0000 . 2 . . . . A 19 GLU HG2 . 30774 1 221 . 1 . 1 19 19 GLU HG3 H 1 2.3600 0.0000 . 2 . . . . A 19 GLU HG3 . 30774 1 222 . 1 . 1 19 19 GLU C C 13 179.0430 0.0000 . 1 . . . . A 19 GLU C . 30774 1 223 . 1 . 1 19 19 GLU CA C 13 59.5220 0.0000 . 1 . . . . A 19 GLU CA . 30774 1 224 . 1 . 1 19 19 GLU CB C 13 29.3500 0.0000 . 1 . . . . A 19 GLU CB . 30774 1 225 . 1 . 1 19 19 GLU CG C 13 36.7300 0.0000 . 1 . . . . A 19 GLU CG . 30774 1 226 . 1 . 1 19 19 GLU N N 15 123.4680 0.0000 . 1 . . . . A 19 GLU N . 30774 1 227 . 1 . 1 20 20 PHE H H 1 8.3770 0.0000 . 1 . . . . A 20 PHE H . 30774 1 228 . 1 . 1 20 20 PHE HA H 1 4.9100 0.0000 . 1 . . . . A 20 PHE HA . 30774 1 229 . 1 . 1 20 20 PHE HB2 H 1 3.4640 0.0000 . 2 . . . . A 20 PHE HB2 . 30774 1 230 . 1 . 1 20 20 PHE HB3 H 1 3.4640 0.0000 . 2 . . . . A 20 PHE HB3 . 30774 1 231 . 1 . 1 20 20 PHE HD1 H 1 7.2500 0.0000 . 3 . . . . A 20 PHE HD1 . 30774 1 232 . 1 . 1 20 20 PHE HE1 H 1 7.1870 0.0000 . 3 . . . . A 20 PHE HE1 . 30774 1 233 . 1 . 1 20 20 PHE C C 13 178.7130 0.0000 . 1 . . . . A 20 PHE C . 30774 1 234 . 1 . 1 20 20 PHE CA C 13 59.7600 0.0000 . 1 . . . . A 20 PHE CA . 30774 1 235 . 1 . 1 20 20 PHE CB C 13 37.8900 0.0000 . 1 . . . . A 20 PHE CB . 30774 1 236 . 1 . 1 20 20 PHE CD1 C 13 130.8120 0.0000 . 1 . . . . A 20 PHE CD1 . 30774 1 237 . 1 . 1 20 20 PHE CE1 C 13 130.8200 0.0000 . 1 . . . . A 20 PHE CE1 . 30774 1 238 . 1 . 1 20 20 PHE N N 15 117.6000 0.0000 . 1 . . . . A 20 PHE N . 30774 1 239 . 1 . 1 21 21 LYS H H 1 8.8840 0.0000 . 1 . . . . A 21 LYS H . 30774 1 240 . 1 . 1 21 21 LYS HA H 1 4.0100 0.0000 . 1 . . . . A 21 LYS HA . 30774 1 241 . 1 . 1 21 21 LYS HB2 H 1 2.0500 0.0000 . 2 . . . . A 21 LYS HB2 . 30774 1 242 . 1 . 1 21 21 LYS HB3 H 1 1.7620 0.0000 . 2 . . . . A 21 LYS HB3 . 30774 1 243 . 1 . 1 21 21 LYS HG2 H 1 1.1740 0.0000 . 2 . . . . A 21 LYS HG2 . 30774 1 244 . 1 . 1 21 21 LYS HG3 H 1 1.1740 0.0000 . 2 . . . . A 21 LYS HG3 . 30774 1 245 . 1 . 1 21 21 LYS HD2 H 1 1.4720 0.0000 . 2 . . . . A 21 LYS HD2 . 30774 1 246 . 1 . 1 21 21 LYS HD3 H 1 0.4090 0.0000 . 2 . . . . A 21 LYS HD3 . 30774 1 247 . 1 . 1 21 21 LYS HE2 H 1 2.6400 0.0000 . 2 . . . . A 21 LYS HE2 . 30774 1 248 . 1 . 1 21 21 LYS HE3 H 1 2.7100 0.0000 . 2 . . . . A 21 LYS HE3 . 30774 1 249 . 1 . 1 21 21 LYS C C 13 177.0040 0.0000 . 1 . . . . A 21 LYS C . 30774 1 250 . 1 . 1 21 21 LYS CA C 13 58.4500 0.0000 . 1 . . . . A 21 LYS CA . 30774 1 251 . 1 . 1 21 21 LYS CB C 13 31.6200 0.0000 . 1 . . . . A 21 LYS CB . 30774 1 252 . 1 . 1 21 21 LYS CG C 13 24.3000 0.0000 . 1 . . . . A 21 LYS CG . 30774 1 253 . 1 . 1 21 21 LYS CD C 13 26.9500 0.0000 . 1 . . . . A 21 LYS CD . 30774 1 254 . 1 . 1 21 21 LYS CE C 13 41.9500 0.0000 . 1 . . . . A 21 LYS CE . 30774 1 255 . 1 . 1 21 21 LYS N N 15 122.3870 0.0000 . 1 . . . . A 21 LYS N . 30774 1 256 . 1 . 1 22 22 ALA H H 1 7.8820 0.0000 . 1 . . . . A 22 ALA H . 30774 1 257 . 1 . 1 22 22 ALA HA H 1 4.2000 0.0000 . 1 . . . . A 22 ALA HA . 30774 1 258 . 1 . 1 22 22 ALA HB1 H 1 1.5700 0.0000 . 1 . . . . A 22 ALA HB1 . 30774 1 259 . 1 . 1 22 22 ALA HB2 H 1 1.5700 0.0000 . 1 . . . . A 22 ALA HB2 . 30774 1 260 . 1 . 1 22 22 ALA HB3 H 1 1.5700 0.0000 . 1 . . . . A 22 ALA HB3 . 30774 1 261 . 1 . 1 22 22 ALA C C 13 180.8020 0.0000 . 1 . . . . A 22 ALA C . 30774 1 262 . 1 . 1 22 22 ALA CA C 13 54.9200 0.0000 . 1 . . . . A 22 ALA CA . 30774 1 263 . 1 . 1 22 22 ALA CB C 13 17.6200 0.0000 . 1 . . . . A 22 ALA CB . 30774 1 264 . 1 . 1 22 22 ALA N N 15 121.4210 0.0000 . 1 . . . . A 22 ALA N . 30774 1 265 . 1 . 1 23 23 ALA H H 1 7.9690 0.0000 . 1 . . . . A 23 ALA H . 30774 1 266 . 1 . 1 23 23 ALA HA H 1 4.0990 0.0000 . 1 . . . . A 23 ALA HA . 30774 1 267 . 1 . 1 23 23 ALA HB1 H 1 1.8700 0.0000 . 1 . . . . A 23 ALA HB1 . 30774 1 268 . 1 . 1 23 23 ALA HB2 H 1 1.8700 0.0000 . 1 . . . . A 23 ALA HB2 . 30774 1 269 . 1 . 1 23 23 ALA HB3 H 1 1.8700 0.0000 . 1 . . . . A 23 ALA HB3 . 30774 1 270 . 1 . 1 23 23 ALA C C 13 178.6260 0.0000 . 1 . . . . A 23 ALA C . 30774 1 271 . 1 . 1 23 23 ALA CA C 13 55.0500 0.0000 . 1 . . . . A 23 ALA CA . 30774 1 272 . 1 . 1 23 23 ALA CB C 13 18.8400 0.0000 . 1 . . . . A 23 ALA CB . 30774 1 273 . 1 . 1 23 23 ALA N N 15 119.0950 0.0000 . 1 . . . . A 23 ALA N . 30774 1 274 . 1 . 1 24 24 PHE H H 1 8.8360 0.0000 . 1 . . . . A 24 PHE H . 30774 1 275 . 1 . 1 24 24 PHE HA H 1 3.4500 0.0000 . 1 . . . . A 24 PHE HA . 30774 1 276 . 1 . 1 24 24 PHE HB2 H 1 3.1830 0.0000 . 2 . . . . A 24 PHE HB2 . 30774 1 277 . 1 . 1 24 24 PHE HB3 H 1 2.8450 0.0000 . 2 . . . . A 24 PHE HB3 . 30774 1 278 . 1 . 1 24 24 PHE HD1 H 1 7.1630 0.0000 . 3 . . . . A 24 PHE HD1 . 30774 1 279 . 1 . 1 24 24 PHE HE1 H 1 7.5500 0.0000 . 3 . . . . A 24 PHE HE1 . 30774 1 280 . 1 . 1 24 24 PHE C C 13 176.1030 0.0000 . 1 . . . . A 24 PHE C . 30774 1 281 . 1 . 1 24 24 PHE CA C 13 62.3700 0.0000 . 1 . . . . A 24 PHE CA . 30774 1 282 . 1 . 1 24 24 PHE CB C 13 39.8000 0.0000 . 1 . . . . A 24 PHE CB . 30774 1 283 . 1 . 1 24 24 PHE CD1 C 13 131.5700 0.0000 . 1 . . . . A 24 PHE CD1 . 30774 1 284 . 1 . 1 24 24 PHE CE1 C 13 130.4700 0.0000 . 1 . . . . A 24 PHE CE1 . 30774 1 285 . 1 . 1 24 24 PHE N N 15 121.0020 0.0000 . 1 . . . . A 24 PHE N . 30774 1 286 . 1 . 1 25 25 ASP H H 1 8.6400 0.0000 . 1 . . . . A 25 ASP H . 30774 1 287 . 1 . 1 25 25 ASP HA H 1 4.2520 0.0000 . 1 . . . . A 25 ASP HA . 30774 1 288 . 1 . 1 25 25 ASP HB2 H 1 2.7700 0.0000 . 2 . . . . A 25 ASP HB2 . 30774 1 289 . 1 . 1 25 25 ASP HB3 H 1 2.5000 0.0000 . 2 . . . . A 25 ASP HB3 . 30774 1 290 . 1 . 1 25 25 ASP C C 13 179.0710 0.0000 . 1 . . . . A 25 ASP C . 30774 1 291 . 1 . 1 25 25 ASP CA C 13 56.8300 0.0000 . 1 . . . . A 25 ASP CA . 30774 1 292 . 1 . 1 25 25 ASP CB C 13 39.8800 0.0000 . 1 . . . . A 25 ASP CB . 30774 1 293 . 1 . 1 25 25 ASP N N 15 116.8390 0.0000 . 1 . . . . A 25 ASP N . 30774 1 294 . 1 . 1 26 26 ILE H H 1 7.2810 0.0000 . 1 . . . . A 26 ILE H . 30774 1 295 . 1 . 1 26 26 ILE HA H 1 3.7830 0.0000 . 1 . . . . A 26 ILE HA . 30774 1 296 . 1 . 1 26 26 ILE HB H 1 2.0370 0.0000 . 1 . . . . A 26 ILE HB . 30774 1 297 . 1 . 1 26 26 ILE HG12 H 1 1.2430 0.0000 . 2 . . . . A 26 ILE HG12 . 30774 1 298 . 1 . 1 26 26 ILE HG13 H 1 1.7360 0.0000 . 2 . . . . A 26 ILE HG13 . 30774 1 299 . 1 . 1 26 26 ILE HG21 H 1 0.8480 0.0000 . 1 . . . . A 26 ILE HG21 . 30774 1 300 . 1 . 1 26 26 ILE HG22 H 1 0.8480 0.0000 . 1 . . . . A 26 ILE HG22 . 30774 1 301 . 1 . 1 26 26 ILE HG23 H 1 0.8480 0.0000 . 1 . . . . A 26 ILE HG23 . 30774 1 302 . 1 . 1 26 26 ILE HD11 H 1 0.8400 0.0000 . 1 . . . . A 26 ILE HD11 . 30774 1 303 . 1 . 1 26 26 ILE HD12 H 1 0.8400 0.0000 . 1 . . . . A 26 ILE HD12 . 30774 1 304 . 1 . 1 26 26 ILE HD13 H 1 0.8400 0.0000 . 1 . . . . A 26 ILE HD13 . 30774 1 305 . 1 . 1 26 26 ILE C C 13 178.5600 0.0000 . 1 . . . . A 26 ILE C . 30774 1 306 . 1 . 1 26 26 ILE CA C 13 62.7500 0.0000 . 1 . . . . A 26 ILE CA . 30774 1 307 . 1 . 1 26 26 ILE CB C 13 37.6200 0.0000 . 1 . . . . A 26 ILE CB . 30774 1 308 . 1 . 1 26 26 ILE CG1 C 13 28.7400 0.0000 . 1 . . . . A 26 ILE CG1 . 30774 1 309 . 1 . 1 26 26 ILE CG2 C 13 17.7400 0.0000 . 1 . . . . A 26 ILE CG2 . 30774 1 310 . 1 . 1 26 26 ILE CD1 C 13 13.0900 0.0000 . 1 . . . . A 26 ILE CD1 . 30774 1 311 . 1 . 1 26 26 ILE N N 15 119.3300 0.0000 . 1 . . . . A 26 ILE N . 30774 1 312 . 1 . 1 27 27 PHE H H 1 8.0920 0.0000 . 1 . . . . A 27 PHE H . 30774 1 313 . 1 . 1 27 27 PHE HA H 1 4.0100 0.0000 . 1 . . . . A 27 PHE HA . 30774 1 314 . 1 . 1 27 27 PHE HB2 H 1 3.1800 0.0000 . 2 . . . . A 27 PHE HB2 . 30774 1 315 . 1 . 1 27 27 PHE HB3 H 1 2.8200 0.0000 . 2 . . . . A 27 PHE HB3 . 30774 1 316 . 1 . 1 27 27 PHE HD1 H 1 7.2290 0.0000 . 3 . . . . A 27 PHE HD1 . 30774 1 317 . 1 . 1 27 27 PHE HE1 H 1 7.3200 0.0000 . 3 . . . . A 27 PHE HE1 . 30774 1 318 . 1 . 1 27 27 PHE HZ H 1 7.1700 0.0000 . 1 . . . . A 27 PHE HZ . 30774 1 319 . 1 . 1 27 27 PHE C C 13 178.7540 0.0000 . 1 . . . . A 27 PHE C . 30774 1 320 . 1 . 1 27 27 PHE CA C 13 60.1200 0.0000 . 1 . . . . A 27 PHE CA . 30774 1 321 . 1 . 1 27 27 PHE CB C 13 40.0000 0.0000 . 1 . . . . A 27 PHE CB . 30774 1 322 . 1 . 1 27 27 PHE CD1 C 13 131.6000 0.0000 . 1 . . . . A 27 PHE CD1 . 30774 1 323 . 1 . 1 27 27 PHE CE1 C 13 131.0500 0.0000 . 1 . . . . A 27 PHE CE1 . 30774 1 324 . 1 . 1 27 27 PHE CZ C 13 128.4000 0.0000 . 1 . . . . A 27 PHE CZ . 30774 1 325 . 1 . 1 27 27 PHE N N 15 121.9550 0.0000 . 1 . . . . A 27 PHE N . 30774 1 326 . 1 . 1 28 28 VAL H H 1 7.4960 0.0000 . 1 . . . . A 28 VAL H . 30774 1 327 . 1 . 1 28 28 VAL HA H 1 4.0400 0.0000 . 1 . . . . A 28 VAL HA . 30774 1 328 . 1 . 1 28 28 VAL HB H 1 1.9830 0.0000 . 1 . . . . A 28 VAL HB . 30774 1 329 . 1 . 1 28 28 VAL HG11 H 1 0.0340 0.0000 . 1 . . . . A 28 VAL HG11 . 30774 1 330 . 1 . 1 28 28 VAL HG12 H 1 0.0340 0.0000 . 1 . . . . A 28 VAL HG12 . 30774 1 331 . 1 . 1 28 28 VAL HG13 H 1 0.0340 0.0000 . 1 . . . . A 28 VAL HG13 . 30774 1 332 . 1 . 1 28 28 VAL HG21 H 1 0.6280 0.0000 . 1 . . . . A 28 VAL HG21 . 30774 1 333 . 1 . 1 28 28 VAL HG22 H 1 0.6280 0.0000 . 1 . . . . A 28 VAL HG22 . 30774 1 334 . 1 . 1 28 28 VAL HG23 H 1 0.6280 0.0000 . 1 . . . . A 28 VAL HG23 . 30774 1 335 . 1 . 1 28 28 VAL C C 13 176.3850 0.0000 . 1 . . . . A 28 VAL C . 30774 1 336 . 1 . 1 28 28 VAL CA C 13 61.1200 0.0000 . 1 . . . . A 28 VAL CA . 30774 1 337 . 1 . 1 28 28 VAL CB C 13 31.4100 0.0000 . 1 . . . . A 28 VAL CB . 30774 1 338 . 1 . 1 28 28 VAL CG1 C 13 21.6800 0.0000 . 1 . . . . A 28 VAL CG1 . 30774 1 339 . 1 . 1 28 28 VAL CG2 C 13 18.5300 0.0000 . 1 . . . . A 28 VAL CG2 . 30774 1 340 . 1 . 1 28 28 VAL N N 15 106.2330 0.0000 . 1 . . . . A 28 VAL N . 30774 1 341 . 1 . 1 29 29 LEU H H 1 7.2550 0.0000 . 1 . . . . A 29 LEU H . 30774 1 342 . 1 . 1 29 29 LEU HA H 1 4.0870 0.0000 . 1 . . . . A 29 LEU HA . 30774 1 343 . 1 . 1 29 29 LEU HB2 H 1 1.5810 0.0000 . 2 . . . . A 29 LEU HB2 . 30774 1 344 . 1 . 1 29 29 LEU HB3 H 1 1.7750 0.0000 . 2 . . . . A 29 LEU HB3 . 30774 1 345 . 1 . 1 29 29 LEU HG H 1 1.8100 0.0000 . 1 . . . . A 29 LEU HG . 30774 1 346 . 1 . 1 29 29 LEU HD11 H 1 0.9390 0.0000 . 2 . . . . A 29 LEU HD11 . 30774 1 347 . 1 . 1 29 29 LEU HD12 H 1 0.9390 0.0000 . 2 . . . . A 29 LEU HD12 . 30774 1 348 . 1 . 1 29 29 LEU HD13 H 1 0.9390 0.0000 . 2 . . . . A 29 LEU HD13 . 30774 1 349 . 1 . 1 29 29 LEU HD21 H 1 0.8780 0.0000 . 2 . . . . A 29 LEU HD21 . 30774 1 350 . 1 . 1 29 29 LEU HD22 H 1 0.8780 0.0000 . 2 . . . . A 29 LEU HD22 . 30774 1 351 . 1 . 1 29 29 LEU HD23 H 1 0.8780 0.0000 . 2 . . . . A 29 LEU HD23 . 30774 1 352 . 1 . 1 29 29 LEU C C 13 178.6420 0.0000 . 1 . . . . A 29 LEU C . 30774 1 353 . 1 . 1 29 29 LEU CA C 13 57.2300 0.0000 . 1 . . . . A 29 LEU CA . 30774 1 354 . 1 . 1 29 29 LEU CB C 13 41.3400 0.0000 . 1 . . . . A 29 LEU CB . 30774 1 355 . 1 . 1 29 29 LEU CG C 13 26.5000 0.0000 . 1 . . . . A 29 LEU CG . 30774 1 356 . 1 . 1 29 29 LEU CD1 C 13 24.8300 0.0000 . 2 . . . . A 29 LEU CD1 . 30774 1 357 . 1 . 1 29 29 LEU CD2 C 13 24.2600 0.0000 . 2 . . . . A 29 LEU CD2 . 30774 1 358 . 1 . 1 29 29 LEU N N 15 125.6640 0.0000 . 1 . . . . A 29 LEU N . 30774 1 359 . 1 . 1 30 30 GLY H H 1 8.8810 0.0000 . 1 . . . . A 30 GLY H . 30774 1 360 . 1 . 1 30 30 GLY HA2 H 1 4.1000 0.0000 . 2 . . . . A 30 GLY HA2 . 30774 1 361 . 1 . 1 30 30 GLY HA3 H 1 3.7400 0.0000 . 2 . . . . A 30 GLY HA3 . 30774 1 362 . 1 . 1 30 30 GLY C C 13 174.1620 0.0000 . 1 . . . . A 30 GLY C . 30774 1 363 . 1 . 1 30 30 GLY CA C 13 45.2450 0.0000 . 1 . . . . A 30 GLY CA . 30774 1 364 . 1 . 1 30 30 GLY N N 15 112.5670 0.0000 . 1 . . . . A 30 GLY N . 30774 1 365 . 1 . 1 31 31 ALA H H 1 8.0280 0.0000 . 1 . . . . A 31 ALA H . 30774 1 366 . 1 . 1 31 31 ALA HA H 1 4.4510 0.0000 . 1 . . . . A 31 ALA HA . 30774 1 367 . 1 . 1 31 31 ALA HB1 H 1 1.5090 0.0000 . 1 . . . . A 31 ALA HB1 . 30774 1 368 . 1 . 1 31 31 ALA HB2 H 1 1.5090 0.0000 . 1 . . . . A 31 ALA HB2 . 30774 1 369 . 1 . 1 31 31 ALA HB3 H 1 1.5090 0.0000 . 1 . . . . A 31 ALA HB3 . 30774 1 370 . 1 . 1 31 31 ALA C C 13 179.2370 0.0000 . 1 . . . . A 31 ALA C . 30774 1 371 . 1 . 1 31 31 ALA CA C 13 51.9900 0.0000 . 1 . . . . A 31 ALA CA . 30774 1 372 . 1 . 1 31 31 ALA CB C 13 19.7600 0.0000 . 1 . . . . A 31 ALA CB . 30774 1 373 . 1 . 1 31 31 ALA N N 15 124.1750 0.0000 . 1 . . . . A 31 ALA N . 30774 1 374 . 1 . 1 32 32 GLU H H 1 9.1440 0.0000 . 1 . . . . A 32 GLU H . 30774 1 375 . 1 . 1 32 32 GLU HA H 1 4.0830 0.0000 . 1 . . . . A 32 GLU HA . 30774 1 376 . 1 . 1 32 32 GLU HB2 H 1 2.0460 0.0000 . 2 . . . . A 32 GLU HB2 . 30774 1 377 . 1 . 1 32 32 GLU HB3 H 1 2.0460 0.0000 . 2 . . . . A 32 GLU HB3 . 30774 1 378 . 1 . 1 32 32 GLU HG2 H 1 2.3300 0.0000 . 2 . . . . A 32 GLU HG2 . 30774 1 379 . 1 . 1 32 32 GLU HG3 H 1 2.3300 0.0000 . 2 . . . . A 32 GLU HG3 . 30774 1 380 . 1 . 1 32 32 GLU C C 13 177.3460 0.0000 . 1 . . . . A 32 GLU C . 30774 1 381 . 1 . 1 32 32 GLU CA C 13 58.9200 0.0000 . 1 . . . . A 32 GLU CA . 30774 1 382 . 1 . 1 32 32 GLU CB C 13 29.7800 0.0000 . 1 . . . . A 32 GLU CB . 30774 1 383 . 1 . 1 32 32 GLU CG C 13 36.5000 0.0000 . 1 . . . . A 32 GLU CG . 30774 1 384 . 1 . 1 32 32 GLU N N 15 124.8180 0.0000 . 1 . . . . A 32 GLU N . 30774 1 385 . 1 . 1 33 33 ASP H H 1 8.1720 0.0000 . 1 . . . . A 33 ASP H . 30774 1 386 . 1 . 1 33 33 ASP HA H 1 4.7600 0.0000 . 1 . . . . A 33 ASP HA . 30774 1 387 . 1 . 1 33 33 ASP HB2 H 1 2.9300 0.0000 . 2 . . . . A 33 ASP HB2 . 30774 1 388 . 1 . 1 33 33 ASP HB3 H 1 2.6150 0.0000 . 2 . . . . A 33 ASP HB3 . 30774 1 389 . 1 . 1 33 33 ASP C C 13 177.8100 0.0000 . 1 . . . . A 33 ASP C . 30774 1 390 . 1 . 1 33 33 ASP CA C 13 52.9400 0.0000 . 1 . . . . A 33 ASP CA . 30774 1 391 . 1 . 1 33 33 ASP CB C 13 41.2600 0.0000 . 1 . . . . A 33 ASP CB . 30774 1 392 . 1 . 1 33 33 ASP N N 15 115.9210 0.0000 . 1 . . . . A 33 ASP N . 30774 1 393 . 1 . 1 34 34 GLY H H 1 7.6220 0.0000 . 1 . . . . A 34 GLY H . 30774 1 394 . 1 . 1 34 34 GLY HA2 H 1 3.9800 0.0000 . 2 . . . . A 34 GLY HA2 . 30774 1 395 . 1 . 1 34 34 GLY HA3 H 1 3.9000 0.0000 . 2 . . . . A 34 GLY HA3 . 30774 1 396 . 1 . 1 34 34 GLY C C 13 172.8150 0.0000 . 1 . . . . A 34 GLY C . 30774 1 397 . 1 . 1 34 34 GLY CA C 13 46.4500 0.0000 . 1 . . . . A 34 GLY CA . 30774 1 398 . 1 . 1 34 34 GLY N N 15 105.6730 0.0000 . 1 . . . . A 34 GLY N . 30774 1 399 . 1 . 1 35 35 SER H H 1 7.6110 0.0000 . 1 . . . . A 35 SER H . 30774 1 400 . 1 . 1 35 35 SER HA H 1 4.9600 0.0000 . 1 . . . . A 35 SER HA . 30774 1 401 . 1 . 1 35 35 SER HB2 H 1 3.4900 0.0000 . 2 . . . . A 35 SER HB2 . 30774 1 402 . 1 . 1 35 35 SER HB3 H 1 3.6300 0.0000 . 2 . . . . A 35 SER HB3 . 30774 1 403 . 1 . 1 35 35 SER C C 13 171.9190 0.0000 . 1 . . . . A 35 SER C . 30774 1 404 . 1 . 1 35 35 SER CA C 13 57.1700 0.0000 . 1 . . . . A 35 SER CA . 30774 1 405 . 1 . 1 35 35 SER CB C 13 66.0000 0.0000 . 1 . . . . A 35 SER CB . 30774 1 406 . 1 . 1 35 35 SER N N 15 113.3630 0.0000 . 1 . . . . A 35 SER N . 30774 1 407 . 1 . 1 36 36 ILE H H 1 8.8630 0.0000 . 1 . . . . A 36 ILE H . 30774 1 408 . 1 . 1 36 36 ILE HA H 1 3.7900 0.0000 . 1 . . . . A 36 ILE HA . 30774 1 409 . 1 . 1 36 36 ILE HB H 1 1.9880 0.0000 . 1 . . . . A 36 ILE HB . 30774 1 410 . 1 . 1 36 36 ILE HG12 H 1 1.4500 0.0000 . 2 . . . . A 36 ILE HG12 . 30774 1 411 . 1 . 1 36 36 ILE HG13 H 1 0.2000 0.0000 . 2 . . . . A 36 ILE HG13 . 30774 1 412 . 1 . 1 36 36 ILE HG21 H 1 0.8330 0.0000 . 1 . . . . A 36 ILE HG21 . 30774 1 413 . 1 . 1 36 36 ILE HG22 H 1 0.8330 0.0000 . 1 . . . . A 36 ILE HG22 . 30774 1 414 . 1 . 1 36 36 ILE HG23 H 1 0.8330 0.0000 . 1 . . . . A 36 ILE HG23 . 30774 1 415 . 1 . 1 36 36 ILE HD11 H 1 0.2700 0.0000 . 1 . . . . A 36 ILE HD11 . 30774 1 416 . 1 . 1 36 36 ILE HD12 H 1 0.2700 0.0000 . 1 . . . . A 36 ILE HD12 . 30774 1 417 . 1 . 1 36 36 ILE HD13 H 1 0.2700 0.0000 . 1 . . . . A 36 ILE HD13 . 30774 1 418 . 1 . 1 36 36 ILE C C 13 175.0430 0.0000 . 1 . . . . A 36 ILE C . 30774 1 419 . 1 . 1 36 36 ILE CA C 13 62.6000 0.0000 . 1 . . . . A 36 ILE CA . 30774 1 420 . 1 . 1 36 36 ILE CB C 13 39.4250 0.0000 . 1 . . . . A 36 ILE CB . 30774 1 421 . 1 . 1 36 36 ILE CG1 C 13 28.5000 0.0000 . 1 . . . . A 36 ILE CG1 . 30774 1 422 . 1 . 1 36 36 ILE CG2 C 13 18.0600 0.0000 . 1 . . . . A 36 ILE CG2 . 30774 1 423 . 1 . 1 36 36 ILE CD1 C 13 14.8000 0.0000 . 1 . . . . A 36 ILE CD1 . 30774 1 424 . 1 . 1 36 36 ILE N N 15 119.4570 0.0000 . 1 . . . . A 36 ILE N . 30774 1 425 . 1 . 1 37 37 SER H H 1 9.5300 0.0000 . 1 . . . . A 37 SER H . 30774 1 426 . 1 . 1 37 37 SER HA H 1 5.1500 0.0000 . 1 . . . . A 37 SER HA . 30774 1 427 . 1 . 1 37 37 SER HB2 H 1 4.2230 0.0000 . 2 . . . . A 37 SER HB2 . 30774 1 428 . 1 . 1 37 37 SER HB3 H 1 4.5670 0.0000 . 2 . . . . A 37 SER HB3 . 30774 1 429 . 1 . 1 37 37 SER C C 13 175.8310 0.0000 . 1 . . . . A 37 SER C . 30774 1 430 . 1 . 1 37 37 SER CA C 13 56.9200 0.0000 . 1 . . . . A 37 SER CA . 30774 1 431 . 1 . 1 37 37 SER CB C 13 67.0500 0.0000 . 1 . . . . A 37 SER CB . 30774 1 432 . 1 . 1 37 37 SER N N 15 126.3670 0.0000 . 1 . . . . A 37 SER N . 30774 1 433 . 1 . 1 38 38 THR H H 1 8.8690 0.0000 . 1 . . . . A 38 THR H . 30774 1 434 . 1 . 1 38 38 THR HA H 1 3.7140 0.0000 . 1 . . . . A 38 THR HA . 30774 1 435 . 1 . 1 38 38 THR HB H 1 4.2320 0.0000 . 1 . . . . A 38 THR HB . 30774 1 436 . 1 . 1 38 38 THR HG21 H 1 1.2980 0.0000 . 1 . . . . A 38 THR HG21 . 30774 1 437 . 1 . 1 38 38 THR HG22 H 1 1.2980 0.0000 . 1 . . . . A 38 THR HG22 . 30774 1 438 . 1 . 1 38 38 THR HG23 H 1 1.2980 0.0000 . 1 . . . . A 38 THR HG23 . 30774 1 439 . 1 . 1 38 38 THR C C 13 177.1460 0.0000 . 1 . . . . A 38 THR C . 30774 1 440 . 1 . 1 38 38 THR CA C 13 66.4250 0.0000 . 1 . . . . A 38 THR CA . 30774 1 441 . 1 . 1 38 38 THR CB C 13 68.0630 0.0000 . 1 . . . . A 38 THR CB . 30774 1 442 . 1 . 1 38 38 THR CG2 C 13 22.6690 0.0000 . 1 . . . . A 38 THR CG2 . 30774 1 443 . 1 . 1 38 38 THR N N 15 111.6760 0.0000 . 1 . . . . A 38 THR N . 30774 1 444 . 1 . 1 39 39 LYS H H 1 8.0300 0.0000 . 1 . . . . A 39 LYS H . 30774 1 445 . 1 . 1 39 39 LYS HA H 1 4.0400 0.0000 . 1 . . . . A 39 LYS HA . 30774 1 446 . 1 . 1 39 39 LYS HB2 H 1 1.8400 0.0000 . 2 . . . . A 39 LYS HB2 . 30774 1 447 . 1 . 1 39 39 LYS HB3 H 1 1.7200 0.0000 . 2 . . . . A 39 LYS HB3 . 30774 1 448 . 1 . 1 39 39 LYS HG2 H 1 1.4710 0.0000 . 2 . . . . A 39 LYS HG2 . 30774 1 449 . 1 . 1 39 39 LYS HG3 H 1 1.3000 0.0000 . 2 . . . . A 39 LYS HG3 . 30774 1 450 . 1 . 1 39 39 LYS HE2 H 1 3.0040 0.0000 . 2 . . . . A 39 LYS HE2 . 30774 1 451 . 1 . 1 39 39 LYS HE3 H 1 3.0040 0.0000 . 2 . . . . A 39 LYS HE3 . 30774 1 452 . 1 . 1 39 39 LYS C C 13 178.8060 0.0000 . 1 . . . . A 39 LYS C . 30774 1 453 . 1 . 1 39 39 LYS CA C 13 59.5130 0.0000 . 1 . . . . A 39 LYS CA . 30774 1 454 . 1 . 1 39 39 LYS CB C 13 32.1800 0.0000 . 1 . . . . A 39 LYS CB . 30774 1 455 . 1 . 1 39 39 LYS CG C 13 24.7100 0.0000 . 1 . . . . A 39 LYS CG . 30774 1 456 . 1 . 1 39 39 LYS CD C 13 29.2750 0.0000 . 1 . . . . A 39 LYS CD . 30774 1 457 . 1 . 1 39 39 LYS CE C 13 41.8070 0.0000 . 1 . . . . A 39 LYS CE . 30774 1 458 . 1 . 1 39 39 LYS N N 15 123.2980 0.0000 . 1 . . . . A 39 LYS N . 30774 1 459 . 1 . 1 40 40 GLU H H 1 7.6840 0.0000 . 1 . . . . A 40 GLU H . 30774 1 460 . 1 . 1 40 40 GLU HA H 1 4.1550 0.0000 . 1 . . . . A 40 GLU HA . 30774 1 461 . 1 . 1 40 40 GLU HB2 H 1 2.4950 0.0000 . 2 . . . . A 40 GLU HB2 . 30774 1 462 . 1 . 1 40 40 GLU HB3 H 1 2.3550 0.0000 . 2 . . . . A 40 GLU HB3 . 30774 1 463 . 1 . 1 40 40 GLU HG2 H 1 2.5940 0.0000 . 2 . . . . A 40 GLU HG2 . 30774 1 464 . 1 . 1 40 40 GLU HG3 H 1 2.3240 0.0000 . 2 . . . . A 40 GLU HG3 . 30774 1 465 . 1 . 1 40 40 GLU C C 13 178.7000 0.0000 . 1 . . . . A 40 GLU C . 30774 1 466 . 1 . 1 40 40 GLU CA C 13 61.0000 0.0000 . 1 . . . . A 40 GLU CA . 30774 1 467 . 1 . 1 40 40 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 40 GLU CB . 30774 1 468 . 1 . 1 40 40 GLU CG C 13 38.8000 0.0000 . 1 . . . . A 40 GLU CG . 30774 1 469 . 1 . 1 40 40 GLU N N 15 119.6630 0.0000 . 1 . . . . A 40 GLU N . 30774 1 470 . 1 . 1 41 41 LEU H H 1 8.3400 0.0000 . 1 . . . . A 41 LEU H . 30774 1 471 . 1 . 1 41 41 LEU HA H 1 4.2050 0.0000 . 1 . . . . A 41 LEU HA . 30774 1 472 . 1 . 1 41 41 LEU HB2 H 1 1.3200 0.0000 . 2 . . . . A 41 LEU HB2 . 30774 1 473 . 1 . 1 41 41 LEU HB3 H 1 1.6800 0.0000 . 2 . . . . A 41 LEU HB3 . 30774 1 474 . 1 . 1 41 41 LEU HG H 1 1.6800 0.0000 . 1 . . . . A 41 LEU HG . 30774 1 475 . 1 . 1 41 41 LEU HD11 H 1 0.6900 0.0000 . 1 . . . . A 41 LEU HD11 . 30774 1 476 . 1 . 1 41 41 LEU HD12 H 1 0.6900 0.0000 . 1 . . . . A 41 LEU HD12 . 30774 1 477 . 1 . 1 41 41 LEU HD13 H 1 0.6900 0.0000 . 1 . . . . A 41 LEU HD13 . 30774 1 478 . 1 . 1 41 41 LEU HD21 H 1 0.7670 0.0000 . 1 . . . . A 41 LEU HD21 . 30774 1 479 . 1 . 1 41 41 LEU HD22 H 1 0.7670 0.0000 . 1 . . . . A 41 LEU HD22 . 30774 1 480 . 1 . 1 41 41 LEU HD23 H 1 0.7670 0.0000 . 1 . . . . A 41 LEU HD23 . 30774 1 481 . 1 . 1 41 41 LEU C C 13 178.5460 0.0000 . 1 . . . . A 41 LEU C . 30774 1 482 . 1 . 1 41 41 LEU CA C 13 57.7500 0.0000 . 1 . . . . A 41 LEU CA . 30774 1 483 . 1 . 1 41 41 LEU CB C 13 42.4500 0.0000 . 1 . . . . A 41 LEU CB . 30774 1 484 . 1 . 1 41 41 LEU CG C 13 26.8000 0.0000 . 1 . . . . A 41 LEU CG . 30774 1 485 . 1 . 1 41 41 LEU CD1 C 13 23.2500 0.0000 . 1 . . . . A 41 LEU CD1 . 30774 1 486 . 1 . 1 41 41 LEU CD2 C 13 26.7000 0.0000 . 1 . . . . A 41 LEU CD2 . 30774 1 487 . 1 . 1 41 41 LEU N N 15 119.1620 0.0000 . 1 . . . . A 41 LEU N . 30774 1 488 . 1 . 1 42 42 GLY H H 1 8.4910 0.0000 . 1 . . . . A 42 GLY H . 30774 1 489 . 1 . 1 42 42 GLY HA2 H 1 3.5000 0.0000 . 2 . . . . A 42 GLY HA2 . 30774 1 490 . 1 . 1 42 42 GLY HA3 H 1 3.9400 0.0000 . 2 . . . . A 42 GLY HA3 . 30774 1 491 . 1 . 1 42 42 GLY C C 13 174.9540 0.0000 . 1 . . . . A 42 GLY C . 30774 1 492 . 1 . 1 42 42 GLY CA C 13 48.0200 0.0000 . 1 . . . . A 42 GLY CA . 30774 1 493 . 1 . 1 42 42 GLY N N 15 105.9500 0.0000 . 1 . . . . A 42 GLY N . 30774 1 494 . 1 . 1 43 43 LYS H H 1 7.3210 0.0000 . 1 . . . . A 43 LYS H . 30774 1 495 . 1 . 1 43 43 LYS HA H 1 3.9800 0.0000 . 1 . . . . A 43 LYS HA . 30774 1 496 . 1 . 1 43 43 LYS HB2 H 1 1.9900 0.0000 . 2 . . . . A 43 LYS HB2 . 30774 1 497 . 1 . 1 43 43 LYS HB3 H 1 1.9900 0.0000 . 2 . . . . A 43 LYS HB3 . 30774 1 498 . 1 . 1 43 43 LYS HG2 H 1 1.3600 0.0000 . 2 . . . . A 43 LYS HG2 . 30774 1 499 . 1 . 1 43 43 LYS HG3 H 1 1.6240 0.0000 . 2 . . . . A 43 LYS HG3 . 30774 1 500 . 1 . 1 43 43 LYS HD2 H 1 1.7610 0.0000 . 2 . . . . A 43 LYS HD2 . 30774 1 501 . 1 . 1 43 43 LYS HD3 H 1 1.7610 0.0000 . 2 . . . . A 43 LYS HD3 . 30774 1 502 . 1 . 1 43 43 LYS HE2 H 1 2.9700 0.0000 . 2 . . . . A 43 LYS HE2 . 30774 1 503 . 1 . 1 43 43 LYS HE3 H 1 2.9700 0.0000 . 2 . . . . A 43 LYS HE3 . 30774 1 504 . 1 . 1 43 43 LYS C C 13 179.4750 0.0000 . 1 . . . . A 43 LYS C . 30774 1 505 . 1 . 1 43 43 LYS CA C 13 59.8930 0.0000 . 1 . . . . A 43 LYS CA . 30774 1 506 . 1 . 1 43 43 LYS CB C 13 32.2670 0.0000 . 1 . . . . A 43 LYS CB . 30774 1 507 . 1 . 1 43 43 LYS CG C 13 25.0550 0.0000 . 1 . . . . A 43 LYS CG . 30774 1 508 . 1 . 1 43 43 LYS CD C 13 29.3580 0.0000 . 1 . . . . A 43 LYS CD . 30774 1 509 . 1 . 1 43 43 LYS CE C 13 41.8530 0.0000 . 1 . . . . A 43 LYS CE . 30774 1 510 . 1 . 1 43 43 LYS N N 15 120.8460 0.0000 . 1 . . . . A 43 LYS N . 30774 1 511 . 1 . 1 44 44 VAL H H 1 7.5840 0.0000 . 1 . . . . A 44 VAL H . 30774 1 512 . 1 . 1 44 44 VAL HA H 1 3.6500 0.0000 . 1 . . . . A 44 VAL HA . 30774 1 513 . 1 . 1 44 44 VAL HB H 1 1.7800 0.0000 . 1 . . . . A 44 VAL HB . 30774 1 514 . 1 . 1 44 44 VAL HG11 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG11 . 30774 1 515 . 1 . 1 44 44 VAL HG12 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG12 . 30774 1 516 . 1 . 1 44 44 VAL HG13 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG13 . 30774 1 517 . 1 . 1 44 44 VAL HG21 H 1 0.4100 0.0000 . 1 . . . . A 44 VAL HG21 . 30774 1 518 . 1 . 1 44 44 VAL HG22 H 1 0.4100 0.0000 . 1 . . . . A 44 VAL HG22 . 30774 1 519 . 1 . 1 44 44 VAL HG23 H 1 0.4100 0.0000 . 1 . . . . A 44 VAL HG23 . 30774 1 520 . 1 . 1 44 44 VAL C C 13 177.7150 0.0000 . 1 . . . . A 44 VAL C . 30774 1 521 . 1 . 1 44 44 VAL CA C 13 66.1800 0.0000 . 1 . . . . A 44 VAL CA . 30774 1 522 . 1 . 1 44 44 VAL CB C 13 31.6600 0.0000 . 1 . . . . A 44 VAL CB . 30774 1 523 . 1 . 1 44 44 VAL CG1 C 13 20.8600 0.0000 . 1 . . . . A 44 VAL CG1 . 30774 1 524 . 1 . 1 44 44 VAL CG2 C 13 22.9100 0.0000 . 1 . . . . A 44 VAL CG2 . 30774 1 525 . 1 . 1 44 44 VAL N N 15 119.5210 0.0000 . 1 . . . . A 44 VAL N . 30774 1 526 . 1 . 1 45 45 MET H H 1 8.4250 0.0000 . 1 . . . . A 45 MET H . 30774 1 527 . 1 . 1 45 45 MET HA H 1 4.1330 0.0000 . 1 . . . . A 45 MET HA . 30774 1 528 . 1 . 1 45 45 MET HB2 H 1 1.5800 0.0000 . 2 . . . . A 45 MET HB2 . 30774 1 529 . 1 . 1 45 45 MET HB3 H 1 1.5800 0.0000 . 2 . . . . A 45 MET HB3 . 30774 1 530 . 1 . 1 45 45 MET HG2 H 1 2.4100 0.0000 . 1 . . . . A 45 MET HG2 . 30774 1 531 . 1 . 1 45 45 MET HG3 H 1 2.4100 0.0000 . 1 . . . . A 45 MET HG3 . 30774 1 532 . 1 . 1 45 45 MET HE1 H 1 1.7600 0.0000 . 1 . . . . A 45 MET HE1 . 30774 1 533 . 1 . 1 45 45 MET HE2 H 1 1.7600 0.0000 . 1 . . . . A 45 MET HE2 . 30774 1 534 . 1 . 1 45 45 MET HE3 H 1 1.7600 0.0000 . 1 . . . . A 45 MET HE3 . 30774 1 535 . 1 . 1 45 45 MET C C 13 179.0900 0.0000 . 1 . . . . A 45 MET C . 30774 1 536 . 1 . 1 45 45 MET CA C 13 58.2660 0.0000 . 1 . . . . A 45 MET CA . 30774 1 537 . 1 . 1 45 45 MET CB C 13 30.9700 0.0000 . 1 . . . . A 45 MET CB . 30774 1 538 . 1 . 1 45 45 MET CG C 13 33.4000 0.0000 . 1 . . . . A 45 MET CG . 30774 1 539 . 1 . 1 45 45 MET CE C 13 17.7700 0.0000 . 1 . . . . A 45 MET CE . 30774 1 540 . 1 . 1 45 45 MET N N 15 116.9660 0.0000 . 1 . . . . A 45 MET N . 30774 1 541 . 1 . 1 46 46 ARG H H 1 8.1240 0.0000 . 1 . . . . A 46 ARG H . 30774 1 542 . 1 . 1 46 46 ARG HA H 1 4.6330 0.0000 . 1 . . . . A 46 ARG HA . 30774 1 543 . 1 . 1 46 46 ARG HB2 H 1 1.8700 0.0000 . 2 . . . . A 46 ARG HB2 . 30774 1 544 . 1 . 1 46 46 ARG HB3 H 1 1.9400 0.0000 . 2 . . . . A 46 ARG HB3 . 30774 1 545 . 1 . 1 46 46 ARG HG2 H 1 1.7640 0.0000 . 2 . . . . A 46 ARG HG2 . 30774 1 546 . 1 . 1 46 46 ARG HG3 H 1 1.9190 0.0000 . 2 . . . . A 46 ARG HG3 . 30774 1 547 . 1 . 1 46 46 ARG HD2 H 1 3.1450 0.0000 . 2 . . . . A 46 ARG HD2 . 30774 1 548 . 1 . 1 46 46 ARG HD3 H 1 3.2900 0.0000 . 2 . . . . A 46 ARG HD3 . 30774 1 549 . 1 . 1 46 46 ARG C C 13 181.5380 0.0000 . 1 . . . . A 46 ARG C . 30774 1 550 . 1 . 1 46 46 ARG CA C 13 59.2000 0.0000 . 1 . . . . A 46 ARG CA . 30774 1 551 . 1 . 1 46 46 ARG CB C 13 29.8500 0.0000 . 1 . . . . A 46 ARG CB . 30774 1 552 . 1 . 1 46 46 ARG CG C 13 28.7000 0.0000 . 1 . . . . A 46 ARG CG . 30774 1 553 . 1 . 1 46 46 ARG CD C 13 43.3000 0.0000 . 1 . . . . A 46 ARG CD . 30774 1 554 . 1 . 1 46 46 ARG N N 15 118.6600 0.0000 . 1 . . . . A 46 ARG N . 30774 1 555 . 1 . 1 47 47 MET H H 1 7.8550 0.0000 . 1 . . . . A 47 MET H . 30774 1 556 . 1 . 1 47 47 MET HA H 1 4.1850 0.0000 . 1 . . . . A 47 MET HA . 30774 1 557 . 1 . 1 47 47 MET HB2 H 1 2.3800 0.0000 . 2 . . . . A 47 MET HB2 . 30774 1 558 . 1 . 1 47 47 MET HB3 H 1 2.2640 0.0000 . 2 . . . . A 47 MET HB3 . 30774 1 559 . 1 . 1 47 47 MET HG2 H 1 2.7300 0.0000 . 2 . . . . A 47 MET HG2 . 30774 1 560 . 1 . 1 47 47 MET HG3 H 1 2.6100 0.0000 . 2 . . . . A 47 MET HG3 . 30774 1 561 . 1 . 1 47 47 MET HE1 H 1 2.0100 0.0000 . 1 . . . . A 47 MET HE1 . 30774 1 562 . 1 . 1 47 47 MET HE2 H 1 2.0100 0.0000 . 1 . . . . A 47 MET HE2 . 30774 1 563 . 1 . 1 47 47 MET HE3 H 1 2.0100 0.0000 . 1 . . . . A 47 MET HE3 . 30774 1 564 . 1 . 1 47 47 MET C C 13 177.6770 0.0000 . 1 . . . . A 47 MET C . 30774 1 565 . 1 . 1 47 47 MET CA C 13 58.8600 0.0000 . 1 . . . . A 47 MET CA . 30774 1 566 . 1 . 1 47 47 MET CB C 13 32.5500 0.0000 . 1 . . . . A 47 MET CB . 30774 1 567 . 1 . 1 47 47 MET CG C 13 31.7200 0.0000 . 1 . . . . A 47 MET CG . 30774 1 568 . 1 . 1 47 47 MET CE C 13 16.7500 0.0000 . 1 . . . . A 47 MET CE . 30774 1 569 . 1 . 1 47 47 MET N N 15 122.4280 0.0000 . 1 . . . . A 47 MET N . 30774 1 570 . 1 . 1 48 48 LEU H H 1 7.5100 0.0000 . 1 . . . . A 48 LEU H . 30774 1 571 . 1 . 1 48 48 LEU HA H 1 4.3900 0.0000 . 1 . . . . A 48 LEU HA . 30774 1 572 . 1 . 1 48 48 LEU HB2 H 1 1.9200 0.0000 . 2 . . . . A 48 LEU HB2 . 30774 1 573 . 1 . 1 48 48 LEU HB3 H 1 1.8560 0.0000 . 2 . . . . A 48 LEU HB3 . 30774 1 574 . 1 . 1 48 48 LEU HG H 1 1.8680 0.0000 . 1 . . . . A 48 LEU HG . 30774 1 575 . 1 . 1 48 48 LEU HD11 H 1 0.8400 0.0000 . 1 . . . . A 48 LEU HD11 . 30774 1 576 . 1 . 1 48 48 LEU HD12 H 1 0.8400 0.0000 . 1 . . . . A 48 LEU HD12 . 30774 1 577 . 1 . 1 48 48 LEU HD13 H 1 0.8400 0.0000 . 1 . . . . A 48 LEU HD13 . 30774 1 578 . 1 . 1 48 48 LEU HD21 H 1 0.8260 0.0000 . 1 . . . . A 48 LEU HD21 . 30774 1 579 . 1 . 1 48 48 LEU HD22 H 1 0.8260 0.0000 . 1 . . . . A 48 LEU HD22 . 30774 1 580 . 1 . 1 48 48 LEU HD23 H 1 0.8260 0.0000 . 1 . . . . A 48 LEU HD23 . 30774 1 581 . 1 . 1 48 48 LEU C C 13 177.2380 0.0000 . 1 . . . . A 48 LEU C . 30774 1 582 . 1 . 1 48 48 LEU CA C 13 54.4400 0.0000 . 1 . . . . A 48 LEU CA . 30774 1 583 . 1 . 1 48 48 LEU CB C 13 41.5400 0.0000 . 1 . . . . A 48 LEU CB . 30774 1 584 . 1 . 1 48 48 LEU CG C 13 26.4000 0.0000 . 1 . . . . A 48 LEU CG . 30774 1 585 . 1 . 1 48 48 LEU CD1 C 13 26.0000 0.0000 . 1 . . . . A 48 LEU CD1 . 30774 1 586 . 1 . 1 48 48 LEU CD2 C 13 23.2000 0.0000 . 1 . . . . A 48 LEU CD2 . 30774 1 587 . 1 . 1 48 48 LEU N N 15 117.6600 0.0000 . 1 . . . . A 48 LEU N . 30774 1 588 . 1 . 1 49 49 GLY H H 1 7.8510 0.0000 . 1 . . . . A 49 GLY H . 30774 1 589 . 1 . 1 49 49 GLY HA2 H 1 4.1920 0.0000 . 2 . . . . A 49 GLY HA2 . 30774 1 590 . 1 . 1 49 49 GLY HA3 H 1 3.8080 0.0000 . 2 . . . . A 49 GLY HA3 . 30774 1 591 . 1 . 1 49 49 GLY C C 13 174.3890 0.0000 . 1 . . . . A 49 GLY C . 30774 1 592 . 1 . 1 49 49 GLY CA C 13 45.7200 0.0000 . 1 . . . . A 49 GLY CA . 30774 1 593 . 1 . 1 49 49 GLY N N 15 107.4770 0.0000 . 1 . . . . A 49 GLY N . 30774 1 594 . 1 . 1 50 50 GLN H H 1 8.0560 0.0000 . 1 . . . . A 50 GLN H . 30774 1 595 . 1 . 1 50 50 GLN HA H 1 4.5040 0.0000 . 1 . . . . A 50 GLN HA . 30774 1 596 . 1 . 1 50 50 GLN HB2 H 1 2.1000 0.0000 . 2 . . . . A 50 GLN HB2 . 30774 1 597 . 1 . 1 50 50 GLN HB3 H 1 1.6200 0.0000 . 2 . . . . A 50 GLN HB3 . 30774 1 598 . 1 . 1 50 50 GLN HG2 H 1 2.1800 0.0000 . 1 . . . . A 50 GLN HG2 . 30774 1 599 . 1 . 1 50 50 GLN HG3 H 1 2.1800 0.0000 . 1 . . . . A 50 GLN HG3 . 30774 1 600 . 1 . 1 50 50 GLN C C 13 174.0790 0.0000 . 1 . . . . A 50 GLN C . 30774 1 601 . 1 . 1 50 50 GLN CA C 13 53.8940 0.0000 . 1 . . . . A 50 GLN CA . 30774 1 602 . 1 . 1 50 50 GLN CB C 13 31.1300 0.0000 . 1 . . . . A 50 GLN CB . 30774 1 603 . 1 . 1 50 50 GLN CG C 13 33.6100 0.0000 . 1 . . . . A 50 GLN CG . 30774 1 604 . 1 . 1 50 50 GLN N N 15 118.2930 0.0000 . 1 . . . . A 50 GLN N . 30774 1 605 . 1 . 1 51 51 ASN H H 1 8.6630 0.0000 . 1 . . . . A 51 ASN H . 30774 1 606 . 1 . 1 51 51 ASN HA H 1 5.1550 0.0000 . 1 . . . . A 51 ASN HA . 30774 1 607 . 1 . 1 51 51 ASN HB2 H 1 2.7620 0.0000 . 2 . . . . A 51 ASN HB2 . 30774 1 608 . 1 . 1 51 51 ASN HB3 H 1 2.5160 0.0000 . 2 . . . . A 51 ASN HB3 . 30774 1 609 . 1 . 1 51 51 ASN CA C 13 51.0200 0.0000 . 1 . . . . A 51 ASN CA . 30774 1 610 . 1 . 1 51 51 ASN CB C 13 39.0700 0.0000 . 1 . . . . A 51 ASN CB . 30774 1 611 . 1 . 1 51 51 ASN N N 15 116.6160 0.0000 . 1 . . . . A 51 ASN N . 30774 1 612 . 1 . 1 52 52 PRO HA H 1 4.7700 0.0000 . 1 . . . . A 52 PRO HA . 30774 1 613 . 1 . 1 52 52 PRO HB2 H 1 2.1460 0.0000 . 2 . . . . A 52 PRO HB2 . 30774 1 614 . 1 . 1 52 52 PRO HB3 H 1 1.8900 0.0000 . 2 . . . . A 52 PRO HB3 . 30774 1 615 . 1 . 1 52 52 PRO HG2 H 1 1.8600 0.0000 . 2 . . . . A 52 PRO HG2 . 30774 1 616 . 1 . 1 52 52 PRO HG3 H 1 1.7700 0.0000 . 2 . . . . A 52 PRO HG3 . 30774 1 617 . 1 . 1 52 52 PRO HD2 H 1 3.2550 0.0000 . 2 . . . . A 52 PRO HD2 . 30774 1 618 . 1 . 1 52 52 PRO HD3 H 1 3.5700 0.0000 . 2 . . . . A 52 PRO HD3 . 30774 1 619 . 1 . 1 52 52 PRO C C 13 177.0820 0.0000 . 1 . . . . A 52 PRO C . 30774 1 620 . 1 . 1 52 52 PRO CA C 13 62.0800 0.0000 . 1 . . . . A 52 PRO CA . 30774 1 621 . 1 . 1 52 52 PRO CB C 13 32.0600 0.0000 . 1 . . . . A 52 PRO CB . 30774 1 622 . 1 . 1 52 52 PRO CG C 13 27.7400 0.0000 . 1 . . . . A 52 PRO CG . 30774 1 623 . 1 . 1 52 52 PRO CD C 13 49.7800 0.0000 . 1 . . . . A 52 PRO CD . 30774 1 624 . 1 . 1 53 53 THR H H 1 8.9430 0.0000 . 1 . . . . A 53 THR H . 30774 1 625 . 1 . 1 53 53 THR HA H 1 4.6150 0.0000 . 1 . . . . A 53 THR HA . 30774 1 626 . 1 . 1 53 53 THR HB H 1 4.8050 0.0000 . 1 . . . . A 53 THR HB . 30774 1 627 . 1 . 1 53 53 THR HG21 H 1 1.3780 0.0000 . 1 . . . . A 53 THR HG21 . 30774 1 628 . 1 . 1 53 53 THR HG22 H 1 1.3780 0.0000 . 1 . . . . A 53 THR HG22 . 30774 1 629 . 1 . 1 53 53 THR HG23 H 1 1.3780 0.0000 . 1 . . . . A 53 THR HG23 . 30774 1 630 . 1 . 1 53 53 THR CA C 13 60.0200 0.0000 . 1 . . . . A 53 THR CA . 30774 1 631 . 1 . 1 53 53 THR CB C 13 68.1600 0.0000 . 1 . . . . A 53 THR CB . 30774 1 632 . 1 . 1 53 53 THR CG2 C 13 22.0300 0.0000 . 1 . . . . A 53 THR CG2 . 30774 1 633 . 1 . 1 53 53 THR N N 15 114.0980 0.0000 . 1 . . . . A 53 THR N . 30774 1 634 . 1 . 1 54 54 PRO HA H 1 4.1660 0.0000 . 1 . . . . A 54 PRO HA . 30774 1 635 . 1 . 1 54 54 PRO HB2 H 1 2.4430 0.0000 . 2 . . . . A 54 PRO HB2 . 30774 1 636 . 1 . 1 54 54 PRO HB3 H 1 1.9230 0.0000 . 2 . . . . A 54 PRO HB3 . 30774 1 637 . 1 . 1 54 54 PRO HG2 H 1 2.2440 0.0000 . 2 . . . . A 54 PRO HG2 . 30774 1 638 . 1 . 1 54 54 PRO HG3 H 1 2.0150 0.0000 . 2 . . . . A 54 PRO HG3 . 30774 1 639 . 1 . 1 54 54 PRO HD2 H 1 3.9200 0.0000 . 2 . . . . A 54 PRO HD2 . 30774 1 640 . 1 . 1 54 54 PRO HD3 H 1 3.9200 0.0000 . 2 . . . . A 54 PRO HD3 . 30774 1 641 . 1 . 1 54 54 PRO C C 13 179.6270 0.0000 . 1 . . . . A 54 PRO C . 30774 1 642 . 1 . 1 54 54 PRO CA C 13 66.1000 0.0000 . 1 . . . . A 54 PRO CA . 30774 1 643 . 1 . 1 54 54 PRO CB C 13 31.7600 0.0000 . 1 . . . . A 54 PRO CB . 30774 1 644 . 1 . 1 54 54 PRO CG C 13 28.2600 0.0000 . 1 . . . . A 54 PRO CG . 30774 1 645 . 1 . 1 54 54 PRO CD C 13 50.3350 0.0000 . 1 . . . . A 54 PRO CD . 30774 1 646 . 1 . 1 55 55 GLU H H 1 8.7600 0.0000 . 1 . . . . A 55 GLU H . 30774 1 647 . 1 . 1 55 55 GLU HA H 1 4.0230 0.0000 . 1 . . . . A 55 GLU HA . 30774 1 648 . 1 . 1 55 55 GLU HB2 H 1 1.9400 0.0000 . 2 . . . . A 55 GLU HB2 . 30774 1 649 . 1 . 1 55 55 GLU HB3 H 1 2.0500 0.0000 . 2 . . . . A 55 GLU HB3 . 30774 1 650 . 1 . 1 55 55 GLU HG2 H 1 2.4420 0.0000 . 2 . . . . A 55 GLU HG2 . 30774 1 651 . 1 . 1 55 55 GLU HG3 H 1 2.2460 0.0000 . 2 . . . . A 55 GLU HG3 . 30774 1 652 . 1 . 1 55 55 GLU C C 13 179.4970 0.0000 . 1 . . . . A 55 GLU C . 30774 1 653 . 1 . 1 55 55 GLU CA C 13 60.4130 0.0000 . 1 . . . . A 55 GLU CA . 30774 1 654 . 1 . 1 55 55 GLU CB C 13 28.7000 0.0000 . 1 . . . . A 55 GLU CB . 30774 1 655 . 1 . 1 55 55 GLU CG C 13 37.2500 0.0000 . 1 . . . . A 55 GLU CG . 30774 1 656 . 1 . 1 55 55 GLU N N 15 117.3450 0.0000 . 1 . . . . A 55 GLU N . 30774 1 657 . 1 . 1 56 56 GLU H H 1 7.7980 0.0000 . 1 . . . . A 56 GLU H . 30774 1 658 . 1 . 1 56 56 GLU HA H 1 3.9650 0.0000 . 1 . . . . A 56 GLU HA . 30774 1 659 . 1 . 1 56 56 GLU HB2 H 1 1.8000 0.0000 . 2 . . . . A 56 GLU HB2 . 30774 1 660 . 1 . 1 56 56 GLU HB3 H 1 2.3730 0.0000 . 2 . . . . A 56 GLU HB3 . 30774 1 661 . 1 . 1 56 56 GLU HG2 H 1 2.2400 0.0000 . 2 . . . . A 56 GLU HG2 . 30774 1 662 . 1 . 1 56 56 GLU HG3 H 1 2.3260 0.0000 . 2 . . . . A 56 GLU HG3 . 30774 1 663 . 1 . 1 56 56 GLU C C 13 179.7200 0.0000 . 1 . . . . A 56 GLU C . 30774 1 664 . 1 . 1 56 56 GLU CA C 13 59.1670 0.0000 . 1 . . . . A 56 GLU CA . 30774 1 665 . 1 . 1 56 56 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 56 GLU CB . 30774 1 666 . 1 . 1 56 56 GLU CG C 13 37.6600 0.0000 . 1 . . . . A 56 GLU CG . 30774 1 667 . 1 . 1 56 56 GLU N N 15 121.6090 0.0000 . 1 . . . . A 56 GLU N . 30774 1 668 . 1 . 1 57 57 LEU H H 1 8.1270 0.0000 . 1 . . . . A 57 LEU H . 30774 1 669 . 1 . 1 57 57 LEU HA H 1 4.0200 0.0000 . 1 . . . . A 57 LEU HA . 30774 1 670 . 1 . 1 57 57 LEU HB2 H 1 1.1150 0.0000 . 2 . . . . A 57 LEU HB2 . 30774 1 671 . 1 . 1 57 57 LEU HB3 H 1 2.1000 0.0000 . 2 . . . . A 57 LEU HB3 . 30774 1 672 . 1 . 1 57 57 LEU HG H 1 1.7000 0.0000 . 1 . . . . A 57 LEU HG . 30774 1 673 . 1 . 1 57 57 LEU HD11 H 1 0.8540 0.0000 . 1 . . . . A 57 LEU HD11 . 30774 1 674 . 1 . 1 57 57 LEU HD12 H 1 0.8540 0.0000 . 1 . . . . A 57 LEU HD12 . 30774 1 675 . 1 . 1 57 57 LEU HD13 H 1 0.8540 0.0000 . 1 . . . . A 57 LEU HD13 . 30774 1 676 . 1 . 1 57 57 LEU HD21 H 1 0.6900 0.0000 . 1 . . . . A 57 LEU HD21 . 30774 1 677 . 1 . 1 57 57 LEU HD22 H 1 0.6900 0.0000 . 1 . . . . A 57 LEU HD22 . 30774 1 678 . 1 . 1 57 57 LEU HD23 H 1 0.6900 0.0000 . 1 . . . . A 57 LEU HD23 . 30774 1 679 . 1 . 1 57 57 LEU C C 13 178.2850 0.0000 . 1 . . . . A 57 LEU C . 30774 1 680 . 1 . 1 57 57 LEU CA C 13 57.6000 0.0000 . 1 . . . . A 57 LEU CA . 30774 1 681 . 1 . 1 57 57 LEU CB C 13 42.6300 0.0000 . 1 . . . . A 57 LEU CB . 30774 1 682 . 1 . 1 57 57 LEU CG C 13 27.0000 0.0000 . 1 . . . . A 57 LEU CG . 30774 1 683 . 1 . 1 57 57 LEU CD1 C 13 25.9000 0.0000 . 1 . . . . A 57 LEU CD1 . 30774 1 684 . 1 . 1 57 57 LEU CD2 C 13 23.7000 0.0000 . 1 . . . . A 57 LEU CD2 . 30774 1 685 . 1 . 1 57 57 LEU N N 15 118.4170 0.0000 . 1 . . . . A 57 LEU N . 30774 1 686 . 1 . 1 58 58 GLN H H 1 7.9470 0.0000 . 1 . . . . A 58 GLN H . 30774 1 687 . 1 . 1 58 58 GLN HA H 1 3.6960 0.0000 . 1 . . . . A 58 GLN HA . 30774 1 688 . 1 . 1 58 58 GLN HB2 H 1 2.1500 0.0000 . 2 . . . . A 58 GLN HB2 . 30774 1 689 . 1 . 1 58 58 GLN HB3 H 1 2.1500 0.0000 . 2 . . . . A 58 GLN HB3 . 30774 1 690 . 1 . 1 58 58 GLN HG2 H 1 2.4900 0.0000 . 2 . . . . A 58 GLN HG2 . 30774 1 691 . 1 . 1 58 58 GLN HG3 H 1 2.3770 0.0000 . 2 . . . . A 58 GLN HG3 . 30774 1 692 . 1 . 1 58 58 GLN C C 13 177.7900 0.0000 . 1 . . . . A 58 GLN C . 30774 1 693 . 1 . 1 58 58 GLN CA C 13 58.1100 0.0000 . 1 . . . . A 58 GLN CA . 30774 1 694 . 1 . 1 58 58 GLN CB C 13 28.3800 0.0000 . 1 . . . . A 58 GLN CB . 30774 1 695 . 1 . 1 58 58 GLN CG C 13 33.5000 0.0000 . 1 . . . . A 58 GLN CG . 30774 1 696 . 1 . 1 58 58 GLN N N 15 117.9870 0.0000 . 1 . . . . A 58 GLN N . 30774 1 697 . 1 . 1 59 59 GLU H H 1 7.8990 0.0000 . 1 . . . . A 59 GLU H . 30774 1 698 . 1 . 1 59 59 GLU HA H 1 4.0450 0.0000 . 1 . . . . A 59 GLU HA . 30774 1 699 . 1 . 1 59 59 GLU HB2 H 1 2.1850 0.0000 . 2 . . . . A 59 GLU HB2 . 30774 1 700 . 1 . 1 59 59 GLU HB3 H 1 2.0570 0.0000 . 2 . . . . A 59 GLU HB3 . 30774 1 701 . 1 . 1 59 59 GLU HG2 H 1 2.4400 0.0000 . 2 . . . . A 59 GLU HG2 . 30774 1 702 . 1 . 1 59 59 GLU HG3 H 1 2.2400 0.0000 . 2 . . . . A 59 GLU HG3 . 30774 1 703 . 1 . 1 59 59 GLU C C 13 178.7950 0.0000 . 1 . . . . A 59 GLU C . 30774 1 704 . 1 . 1 59 59 GLU CA C 13 59.5080 0.0000 . 1 . . . . A 59 GLU CA . 30774 1 705 . 1 . 1 59 59 GLU CB C 13 29.6970 0.0000 . 1 . . . . A 59 GLU CB . 30774 1 706 . 1 . 1 59 59 GLU CG C 13 36.5000 0.0000 . 1 . . . . A 59 GLU CG . 30774 1 707 . 1 . 1 59 59 GLU N N 15 119.2190 0.0000 . 1 . . . . A 59 GLU N . 30774 1 708 . 1 . 1 60 60 MET H H 1 7.7500 0.0000 . 1 . . . . A 60 MET H . 30774 1 709 . 1 . 1 60 60 MET HA H 1 4.0050 0.0000 . 1 . . . . A 60 MET HA . 30774 1 710 . 1 . 1 60 60 MET HB2 H 1 1.9530 0.0000 . 1 . . . . A 60 MET HB2 . 30774 1 711 . 1 . 1 60 60 MET HB3 H 1 2.2700 0.0000 . 1 . . . . A 60 MET HB3 . 30774 1 712 . 1 . 1 60 60 MET HG2 H 1 2.7780 0.0000 . 1 . . . . A 60 MET HG2 . 30774 1 713 . 1 . 1 60 60 MET HG3 H 1 2.7780 0.0000 . 1 . . . . A 60 MET HG3 . 30774 1 714 . 1 . 1 60 60 MET HE1 H 1 1.7970 0.0000 . 1 . . . . A 60 MET HE1 . 30774 1 715 . 1 . 1 60 60 MET HE2 H 1 1.7970 0.0000 . 1 . . . . A 60 MET HE2 . 30774 1 716 . 1 . 1 60 60 MET HE3 H 1 1.7970 0.0000 . 1 . . . . A 60 MET HE3 . 30774 1 717 . 1 . 1 60 60 MET C C 13 178.4690 0.0000 . 1 . . . . A 60 MET C . 30774 1 718 . 1 . 1 60 60 MET CA C 13 59.4320 0.0000 . 1 . . . . A 60 MET CA . 30774 1 719 . 1 . 1 60 60 MET CB C 13 33.7800 0.0000 . 1 . . . . A 60 MET CB . 30774 1 720 . 1 . 1 60 60 MET CG C 13 32.9000 0.0000 . 1 . . . . A 60 MET CG . 30774 1 721 . 1 . 1 60 60 MET CE C 13 17.2500 0.0000 . 1 . . . . A 60 MET CE . 30774 1 722 . 1 . 1 60 60 MET N N 15 117.7020 0.0000 . 1 . . . . A 60 MET N . 30774 1 723 . 1 . 1 61 61 ILE H H 1 7.4170 0.0000 . 1 . . . . A 61 ILE H . 30774 1 724 . 1 . 1 61 61 ILE HA H 1 3.5000 0.0000 . 1 . . . . A 61 ILE HA . 30774 1 725 . 1 . 1 61 61 ILE HB H 1 2.0220 0.0000 . 1 . . . . A 61 ILE HB . 30774 1 726 . 1 . 1 61 61 ILE HG12 H 1 1.5530 0.0000 . 2 . . . . A 61 ILE HG12 . 30774 1 727 . 1 . 1 61 61 ILE HG13 H 1 1.1450 0.0000 . 2 . . . . A 61 ILE HG13 . 30774 1 728 . 1 . 1 61 61 ILE HG21 H 1 0.7090 0.0000 . 1 . . . . A 61 ILE HG21 . 30774 1 729 . 1 . 1 61 61 ILE HG22 H 1 0.7090 0.0000 . 1 . . . . A 61 ILE HG22 . 30774 1 730 . 1 . 1 61 61 ILE HG23 H 1 0.7090 0.0000 . 1 . . . . A 61 ILE HG23 . 30774 1 731 . 1 . 1 61 61 ILE HD11 H 1 0.6760 0.0000 . 1 . . . . A 61 ILE HD11 . 30774 1 732 . 1 . 1 61 61 ILE HD12 H 1 0.6760 0.0000 . 1 . . . . A 61 ILE HD12 . 30774 1 733 . 1 . 1 61 61 ILE HD13 H 1 0.6760 0.0000 . 1 . . . . A 61 ILE HD13 . 30774 1 734 . 1 . 1 61 61 ILE C C 13 177.8240 0.0000 . 1 . . . . A 61 ILE C . 30774 1 735 . 1 . 1 61 61 ILE CA C 13 63.8400 0.0000 . 1 . . . . A 61 ILE CA . 30774 1 736 . 1 . 1 61 61 ILE CB C 13 37.0000 0.0000 . 1 . . . . A 61 ILE CB . 30774 1 737 . 1 . 1 61 61 ILE CG1 C 13 28.5900 0.0000 . 1 . . . . A 61 ILE CG1 . 30774 1 738 . 1 . 1 61 61 ILE CG2 C 13 15.7900 0.0000 . 1 . . . . A 61 ILE CG2 . 30774 1 739 . 1 . 1 61 61 ILE CD1 C 13 12.1500 0.0000 . 1 . . . . A 61 ILE CD1 . 30774 1 740 . 1 . 1 61 61 ILE N N 15 118.1710 0.0000 . 1 . . . . A 61 ILE N . 30774 1 741 . 1 . 1 62 62 ASP H H 1 8.7380 0.0000 . 1 . . . . A 62 ASP H . 30774 1 742 . 1 . 1 62 62 ASP HA H 1 4.3200 0.0000 . 1 . . . . A 62 ASP HA . 30774 1 743 . 1 . 1 62 62 ASP HB2 H 1 2.7800 0.0000 . 2 . . . . A 62 ASP HB2 . 30774 1 744 . 1 . 1 62 62 ASP HB3 H 1 2.6700 0.0000 . 2 . . . . A 62 ASP HB3 . 30774 1 745 . 1 . 1 62 62 ASP C C 13 178.5200 0.0000 . 1 . . . . A 62 ASP C . 30774 1 746 . 1 . 1 62 62 ASP CA C 13 57.3900 0.0000 . 1 . . . . A 62 ASP CA . 30774 1 747 . 1 . 1 62 62 ASP CB C 13 40.3900 0.0000 . 1 . . . . A 62 ASP CB . 30774 1 748 . 1 . 1 62 62 ASP N N 15 119.3710 0.0000 . 1 . . . . A 62 ASP N . 30774 1 749 . 1 . 1 63 63 GLU H H 1 7.5800 0.0000 . 1 . . . . A 63 GLU H . 30774 1 750 . 1 . 1 63 63 GLU HA H 1 4.0300 0.0000 . 1 . . . . A 63 GLU HA . 30774 1 751 . 1 . 1 63 63 GLU HB2 H 1 2.2130 0.0000 . 2 . . . . A 63 GLU HB2 . 30774 1 752 . 1 . 1 63 63 GLU HB3 H 1 2.0270 0.0000 . 2 . . . . A 63 GLU HB3 . 30774 1 753 . 1 . 1 63 63 GLU HG2 H 1 2.4720 0.0000 . 2 . . . . A 63 GLU HG2 . 30774 1 754 . 1 . 1 63 63 GLU HG3 H 1 2.2780 0.0000 . 2 . . . . A 63 GLU HG3 . 30774 1 755 . 1 . 1 63 63 GLU C C 13 177.6810 0.0000 . 1 . . . . A 63 GLU C . 30774 1 756 . 1 . 1 63 63 GLU CA C 13 58.8930 0.0000 . 1 . . . . A 63 GLU CA . 30774 1 757 . 1 . 1 63 63 GLU CB C 13 30.5280 0.0000 . 1 . . . . A 63 GLU CB . 30774 1 758 . 1 . 1 63 63 GLU CG C 13 36.6330 0.0000 . 1 . . . . A 63 GLU CG . 30774 1 759 . 1 . 1 63 63 GLU N N 15 116.1560 0.0000 . 1 . . . . A 63 GLU N . 30774 1 760 . 1 . 1 64 64 VAL H H 1 7.2190 0.0000 . 1 . . . . A 64 VAL H . 30774 1 761 . 1 . 1 64 64 VAL HA H 1 4.4900 0.0000 . 1 . . . . A 64 VAL HA . 30774 1 762 . 1 . 1 64 64 VAL HB H 1 2.3900 0.0000 . 1 . . . . A 64 VAL HB . 30774 1 763 . 1 . 1 64 64 VAL HG11 H 1 0.7500 0.0000 . 2 . . . . A 64 VAL HG11 . 30774 1 764 . 1 . 1 64 64 VAL HG12 H 1 0.7500 0.0000 . 2 . . . . A 64 VAL HG12 . 30774 1 765 . 1 . 1 64 64 VAL HG13 H 1 0.7500 0.0000 . 2 . . . . A 64 VAL HG13 . 30774 1 766 . 1 . 1 64 64 VAL HG21 H 1 0.9240 0.0000 . 2 . . . . A 64 VAL HG21 . 30774 1 767 . 1 . 1 64 64 VAL HG22 H 1 0.9240 0.0000 . 2 . . . . A 64 VAL HG22 . 30774 1 768 . 1 . 1 64 64 VAL HG23 H 1 0.9240 0.0000 . 2 . . . . A 64 VAL HG23 . 30774 1 769 . 1 . 1 64 64 VAL C C 13 175.6370 0.0000 . 1 . . . . A 64 VAL C . 30774 1 770 . 1 . 1 64 64 VAL CA C 13 60.5500 0.0000 . 1 . . . . A 64 VAL CA . 30774 1 771 . 1 . 1 64 64 VAL CB C 13 32.6500 0.0000 . 1 . . . . A 64 VAL CB . 30774 1 772 . 1 . 1 64 64 VAL CG1 C 13 21.9600 0.0000 . 2 . . . . A 64 VAL CG1 . 30774 1 773 . 1 . 1 64 64 VAL CG2 C 13 20.2000 0.0000 . 2 . . . . A 64 VAL CG2 . 30774 1 774 . 1 . 1 64 64 VAL N N 15 108.3550 0.0000 . 1 . . . . A 64 VAL N . 30774 1 775 . 1 . 1 65 65 ASP H H 1 7.6370 0.0000 . 1 . . . . A 65 ASP H . 30774 1 776 . 1 . 1 65 65 ASP HA H 1 4.5880 0.0000 . 1 . . . . A 65 ASP HA . 30774 1 777 . 1 . 1 65 65 ASP HB2 H 1 2.7800 0.0000 . 2 . . . . A 65 ASP HB2 . 30774 1 778 . 1 . 1 65 65 ASP HB3 H 1 2.5340 0.0000 . 2 . . . . A 65 ASP HB3 . 30774 1 779 . 1 . 1 65 65 ASP C C 13 176.8040 0.0000 . 1 . . . . A 65 ASP C . 30774 1 780 . 1 . 1 65 65 ASP CA C 13 53.4000 0.0000 . 1 . . . . A 65 ASP CA . 30774 1 781 . 1 . 1 65 65 ASP CB C 13 40.8400 0.0000 . 1 . . . . A 65 ASP CB . 30774 1 782 . 1 . 1 65 65 ASP N N 15 121.9330 0.0000 . 1 . . . . A 65 ASP N . 30774 1 783 . 1 . 1 66 66 GLU H H 1 8.3800 0.0000 . 1 . . . . A 66 GLU H . 30774 1 784 . 1 . 1 66 66 GLU HA H 1 4.2120 0.0000 . 1 . . . . A 66 GLU HA . 30774 1 785 . 1 . 1 66 66 GLU HB2 H 1 2.1960 0.0000 . 2 . . . . A 66 GLU HB2 . 30774 1 786 . 1 . 1 66 66 GLU HB3 H 1 2.0760 0.0000 . 2 . . . . A 66 GLU HB3 . 30774 1 787 . 1 . 1 66 66 GLU HG2 H 1 2.3900 0.0000 . 2 . . . . A 66 GLU HG2 . 30774 1 788 . 1 . 1 66 66 GLU HG3 H 1 2.3100 0.0000 . 2 . . . . A 66 GLU HG3 . 30774 1 789 . 1 . 1 66 66 GLU C C 13 177.1190 0.0000 . 1 . . . . A 66 GLU C . 30774 1 790 . 1 . 1 66 66 GLU CA C 13 58.2400 0.0000 . 1 . . . . A 66 GLU CA . 30774 1 791 . 1 . 1 66 66 GLU CB C 13 30.9500 0.0000 . 1 . . . . A 66 GLU CB . 30774 1 792 . 1 . 1 66 66 GLU CG C 13 36.1500 0.0000 . 1 . . . . A 66 GLU CG . 30774 1 793 . 1 . 1 66 66 GLU N N 15 128.1700 0.0000 . 1 . . . . A 66 GLU N . 30774 1 794 . 1 . 1 67 67 ASP H H 1 8.0190 0.0000 . 1 . . . . A 67 ASP H . 30774 1 795 . 1 . 1 67 67 ASP HA H 1 4.7280 0.0000 . 1 . . . . A 67 ASP HA . 30774 1 796 . 1 . 1 67 67 ASP HB2 H 1 2.7420 0.0000 . 2 . . . . A 67 ASP HB2 . 30774 1 797 . 1 . 1 67 67 ASP HB3 H 1 3.1350 0.0000 . 2 . . . . A 67 ASP HB3 . 30774 1 798 . 1 . 1 67 67 ASP C C 13 177.6590 0.0000 . 1 . . . . A 67 ASP C . 30774 1 799 . 1 . 1 67 67 ASP CA C 13 52.4680 0.0000 . 1 . . . . A 67 ASP CA . 30774 1 800 . 1 . 1 67 67 ASP CB C 13 40.2930 0.0000 . 1 . . . . A 67 ASP CB . 30774 1 801 . 1 . 1 67 67 ASP N N 15 114.7290 0.0000 . 1 . . . . A 67 ASP N . 30774 1 802 . 1 . 1 68 68 GLY H H 1 7.7440 0.0000 . 1 . . . . A 68 GLY H . 30774 1 803 . 1 . 1 68 68 GLY HA2 H 1 3.9060 0.0000 . 2 . . . . A 68 GLY HA2 . 30774 1 804 . 1 . 1 68 68 GLY HA3 H 1 3.7900 0.0000 . 2 . . . . A 68 GLY HA3 . 30774 1 805 . 1 . 1 68 68 GLY C C 13 175.2880 0.0000 . 1 . . . . A 68 GLY C . 30774 1 806 . 1 . 1 68 68 GLY CA C 13 46.9800 0.0000 . 1 . . . . A 68 GLY CA . 30774 1 807 . 1 . 1 68 68 GLY N N 15 108.9860 0.0000 . 1 . . . . A 68 GLY N . 30774 1 808 . 1 . 1 69 69 SER H H 1 8.5200 0.0000 . 1 . . . . A 69 SER H . 30774 1 809 . 1 . 1 69 69 SER HA H 1 4.2300 0.0000 . 1 . . . . A 69 SER HA . 30774 1 810 . 1 . 1 69 69 SER HB2 H 1 4.2300 0.0000 . 2 . . . . A 69 SER HB2 . 30774 1 811 . 1 . 1 69 69 SER HB3 H 1 4.0150 0.0000 . 2 . . . . A 69 SER HB3 . 30774 1 812 . 1 . 1 69 69 SER C C 13 175.9640 0.0000 . 1 . . . . A 69 SER C . 30774 1 813 . 1 . 1 69 69 SER CA C 13 60.0600 0.0000 . 1 . . . . A 69 SER CA . 30774 1 814 . 1 . 1 69 69 SER CB C 13 64.6300 0.0000 . 1 . . . . A 69 SER CB . 30774 1 815 . 1 . 1 69 69 SER N N 15 116.8000 0.0000 . 1 . . . . A 69 SER N . 30774 1 816 . 1 . 1 70 70 GLY H H 1 10.7900 0.0000 . 1 . . . . A 70 GLY H . 30774 1 817 . 1 . 1 70 70 GLY HA2 H 1 3.5100 0.0000 . 2 . . . . A 70 GLY HA2 . 30774 1 818 . 1 . 1 70 70 GLY HA3 H 1 4.2400 0.0000 . 2 . . . . A 70 GLY HA3 . 30774 1 819 . 1 . 1 70 70 GLY C C 13 172.5130 0.0000 . 1 . . . . A 70 GLY C . 30774 1 820 . 1 . 1 70 70 GLY CA C 13 45.4800 0.0000 . 1 . . . . A 70 GLY CA . 30774 1 821 . 1 . 1 70 70 GLY N N 15 116.3950 0.0000 . 1 . . . . A 70 GLY N . 30774 1 822 . 1 . 1 71 71 THR H H 1 7.6260 0.0000 . 1 . . . . A 71 THR H . 30774 1 823 . 1 . 1 71 71 THR HA H 1 4.9680 0.0000 . 1 . . . . A 71 THR HA . 30774 1 824 . 1 . 1 71 71 THR HB H 1 3.8940 0.0000 . 1 . . . . A 71 THR HB . 30774 1 825 . 1 . 1 71 71 THR HG21 H 1 1.0620 0.0000 . 1 . . . . A 71 THR HG21 . 30774 1 826 . 1 . 1 71 71 THR HG22 H 1 1.0620 0.0000 . 1 . . . . A 71 THR HG22 . 30774 1 827 . 1 . 1 71 71 THR HG23 H 1 1.0620 0.0000 . 1 . . . . A 71 THR HG23 . 30774 1 828 . 1 . 1 71 71 THR C C 13 173.3440 0.0000 . 1 . . . . A 71 THR C . 30774 1 829 . 1 . 1 71 71 THR CA C 13 58.1000 0.0000 . 1 . . . . A 71 THR CA . 30774 1 830 . 1 . 1 71 71 THR CB C 13 73.6000 0.0000 . 1 . . . . A 71 THR CB . 30774 1 831 . 1 . 1 71 71 THR CG2 C 13 22.4550 0.0000 . 1 . . . . A 71 THR CG2 . 30774 1 832 . 1 . 1 71 71 THR N N 15 107.4040 0.0000 . 1 . . . . A 71 THR N . 30774 1 833 . 1 . 1 72 72 VAL H H 1 9.7600 0.0000 . 1 . . . . A 72 VAL H . 30774 1 834 . 1 . 1 72 72 VAL HA H 1 5.0400 0.0000 . 1 . . . . A 72 VAL HA . 30774 1 835 . 1 . 1 72 72 VAL HB H 1 2.2400 0.0000 . 1 . . . . A 72 VAL HB . 30774 1 836 . 1 . 1 72 72 VAL HG11 H 1 1.2400 0.0000 . 1 . . . . A 72 VAL HG11 . 30774 1 837 . 1 . 1 72 72 VAL HG12 H 1 1.2400 0.0000 . 1 . . . . A 72 VAL HG12 . 30774 1 838 . 1 . 1 72 72 VAL HG13 H 1 1.2400 0.0000 . 1 . . . . A 72 VAL HG13 . 30774 1 839 . 1 . 1 72 72 VAL HG21 H 1 0.9400 0.0000 . 1 . . . . A 72 VAL HG21 . 30774 1 840 . 1 . 1 72 72 VAL HG22 H 1 0.9400 0.0000 . 1 . . . . A 72 VAL HG22 . 30774 1 841 . 1 . 1 72 72 VAL HG23 H 1 0.9400 0.0000 . 1 . . . . A 72 VAL HG23 . 30774 1 842 . 1 . 1 72 72 VAL C C 13 175.2760 0.0000 . 1 . . . . A 72 VAL C . 30774 1 843 . 1 . 1 72 72 VAL CA C 13 61.5300 0.0000 . 1 . . . . A 72 VAL CA . 30774 1 844 . 1 . 1 72 72 VAL CB C 13 33.7900 0.0000 . 1 . . . . A 72 VAL CB . 30774 1 845 . 1 . 1 72 72 VAL CG1 C 13 21.5800 0.0000 . 1 . . . . A 72 VAL CG1 . 30774 1 846 . 1 . 1 72 72 VAL CG2 C 13 23.3700 0.0000 . 1 . . . . A 72 VAL CG2 . 30774 1 847 . 1 . 1 72 72 VAL N N 15 127.2080 0.0000 . 1 . . . . A 72 VAL N . 30774 1 848 . 1 . 1 73 73 ASP H H 1 8.8470 0.0000 . 1 . . . . A 73 ASP H . 30774 1 849 . 1 . 1 73 73 ASP HA H 1 5.1000 0.0000 . 1 . . . . A 73 ASP HA . 30774 1 850 . 1 . 1 73 73 ASP HB2 H 1 2.6600 0.0000 . 2 . . . . A 73 ASP HB2 . 30774 1 851 . 1 . 1 73 73 ASP HB3 H 1 3.2400 0.0000 . 2 . . . . A 73 ASP HB3 . 30774 1 852 . 1 . 1 73 73 ASP C C 13 175.9100 0.0000 . 1 . . . . A 73 ASP C . 30774 1 853 . 1 . 1 73 73 ASP CA C 13 52.3300 0.0000 . 1 . . . . A 73 ASP CA . 30774 1 854 . 1 . 1 73 73 ASP CB C 13 41.6000 0.0000 . 1 . . . . A 73 ASP CB . 30774 1 855 . 1 . 1 73 73 ASP N N 15 129.0620 0.0000 . 1 . . . . A 73 ASP N . 30774 1 856 . 1 . 1 74 74 PHE H H 1 8.5580 0.0000 . 1 . . . . A 74 PHE H . 30774 1 857 . 1 . 1 74 74 PHE HA H 1 3.3440 0.0000 . 1 . . . . A 74 PHE HA . 30774 1 858 . 1 . 1 74 74 PHE HB2 H 1 2.1800 0.0000 . 2 . . . . A 74 PHE HB2 . 30774 1 859 . 1 . 1 74 74 PHE HB3 H 1 2.4800 0.0000 . 2 . . . . A 74 PHE HB3 . 30774 1 860 . 1 . 1 74 74 PHE HD1 H 1 6.7300 0.0000 . 3 . . . . A 74 PHE HD1 . 30774 1 861 . 1 . 1 74 74 PHE HE1 H 1 7.1800 0.0000 . 3 . . . . A 74 PHE HE1 . 30774 1 862 . 1 . 1 74 74 PHE HZ H 1 7.4900 0.0000 . 1 . . . . A 74 PHE HZ . 30774 1 863 . 1 . 1 74 74 PHE C C 13 176.1160 0.0000 . 1 . . . . A 74 PHE C . 30774 1 864 . 1 . 1 74 74 PHE CA C 13 61.2300 0.0000 . 1 . . . . A 74 PHE CA . 30774 1 865 . 1 . 1 74 74 PHE CB C 13 38.4000 0.0000 . 1 . . . . A 74 PHE CB . 30774 1 866 . 1 . 1 74 74 PHE CD1 C 13 132.1100 0.0000 . 1 . . . . A 74 PHE CD1 . 30774 1 867 . 1 . 1 74 74 PHE CE1 C 13 130.2900 0.0000 . 1 . . . . A 74 PHE CE1 . 30774 1 868 . 1 . 1 74 74 PHE CZ C 13 129.5600 0.0000 . 1 . . . . A 74 PHE CZ . 30774 1 869 . 1 . 1 74 74 PHE N N 15 118.2450 0.0000 . 1 . . . . A 74 PHE N . 30774 1 870 . 1 . 1 75 75 ASP H H 1 7.6760 0.0000 . 1 . . . . A 75 ASP H . 30774 1 871 . 1 . 1 75 75 ASP HA H 1 3.9800 0.0000 . 1 . . . . A 75 ASP HA . 30774 1 872 . 1 . 1 75 75 ASP HB2 H 1 2.6900 0.0000 . 2 . . . . A 75 ASP HB2 . 30774 1 873 . 1 . 1 75 75 ASP HB3 H 1 2.5200 0.0000 . 2 . . . . A 75 ASP HB3 . 30774 1 874 . 1 . 1 75 75 ASP C C 13 179.5910 0.0000 . 1 . . . . A 75 ASP C . 30774 1 875 . 1 . 1 75 75 ASP CA C 13 57.8200 0.0000 . 1 . . . . A 75 ASP CA . 30774 1 876 . 1 . 1 75 75 ASP CB C 13 40.2000 0.0000 . 1 . . . . A 75 ASP CB . 30774 1 877 . 1 . 1 75 75 ASP N N 15 117.6820 0.0000 . 1 . . . . A 75 ASP N . 30774 1 878 . 1 . 1 76 76 GLU H H 1 8.2920 0.0000 . 1 . . . . A 76 GLU H . 30774 1 879 . 1 . 1 76 76 GLU HA H 1 3.9900 0.0000 . 1 . . . . A 76 GLU HA . 30774 1 880 . 1 . 1 76 76 GLU HB2 H 1 2.4500 0.0000 . 2 . . . . A 76 GLU HB2 . 30774 1 881 . 1 . 1 76 76 GLU HB3 H 1 2.0300 0.0000 . 2 . . . . A 76 GLU HB3 . 30774 1 882 . 1 . 1 76 76 GLU HG2 H 1 2.8700 0.0000 . 2 . . . . A 76 GLU HG2 . 30774 1 883 . 1 . 1 76 76 GLU HG3 H 1 2.4550 0.0000 . 2 . . . . A 76 GLU HG3 . 30774 1 884 . 1 . 1 76 76 GLU C C 13 178.4990 0.0000 . 1 . . . . A 76 GLU C . 30774 1 885 . 1 . 1 76 76 GLU CA C 13 58.2200 0.0000 . 1 . . . . A 76 GLU CA . 30774 1 886 . 1 . 1 76 76 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 76 GLU CB . 30774 1 887 . 1 . 1 76 76 GLU CG C 13 36.7400 0.0000 . 1 . . . . A 76 GLU CG . 30774 1 888 . 1 . 1 76 76 GLU N N 15 120.3560 0.0000 . 1 . . . . A 76 GLU N . 30774 1 889 . 1 . 1 77 77 PHE H H 1 8.9290 0.0000 . 1 . . . . A 77 PHE H . 30774 1 890 . 1 . 1 77 77 PHE HA H 1 3.8800 0.0000 . 1 . . . . A 77 PHE HA . 30774 1 891 . 1 . 1 77 77 PHE HB2 H 1 3.3110 0.0000 . 2 . . . . A 77 PHE HB2 . 30774 1 892 . 1 . 1 77 77 PHE HB3 H 1 3.0800 0.0000 . 2 . . . . A 77 PHE HB3 . 30774 1 893 . 1 . 1 77 77 PHE HD1 H 1 6.9650 0.0000 . 3 . . . . A 77 PHE HD1 . 30774 1 894 . 1 . 1 77 77 PHE HE1 H 1 7.3390 0.0000 . 3 . . . . A 77 PHE HE1 . 30774 1 895 . 1 . 1 77 77 PHE HZ H 1 7.2600 0.0000 . 1 . . . . A 77 PHE HZ . 30774 1 896 . 1 . 1 77 77 PHE C C 13 177.1480 0.0000 . 1 . . . . A 77 PHE C . 30774 1 897 . 1 . 1 77 77 PHE CA C 13 60.7500 0.0000 . 1 . . . . A 77 PHE CA . 30774 1 898 . 1 . 1 77 77 PHE CB C 13 39.7900 0.0000 . 1 . . . . A 77 PHE CB . 30774 1 899 . 1 . 1 77 77 PHE CD1 C 13 131.7560 0.0000 . 1 . . . . A 77 PHE CD1 . 30774 1 900 . 1 . 1 77 77 PHE CE1 C 13 131.4980 0.0000 . 1 . . . . A 77 PHE CE1 . 30774 1 901 . 1 . 1 77 77 PHE CZ C 13 129.4100 0.0000 . 1 . . . . A 77 PHE CZ . 30774 1 902 . 1 . 1 77 77 PHE N N 15 123.3480 0.0000 . 1 . . . . A 77 PHE N . 30774 1 903 . 1 . 1 78 78 LEU H H 1 8.1450 0.0000 . 1 . . . . A 78 LEU H . 30774 1 904 . 1 . 1 78 78 LEU HA H 1 3.2950 0.0000 . 1 . . . . A 78 LEU HA . 30774 1 905 . 1 . 1 78 78 LEU HB2 H 1 1.0630 0.0000 . 2 . . . . A 78 LEU HB2 . 30774 1 906 . 1 . 1 78 78 LEU HB3 H 1 1.6700 0.0000 . 2 . . . . A 78 LEU HB3 . 30774 1 907 . 1 . 1 78 78 LEU HG H 1 1.0360 0.0000 . 1 . . . . A 78 LEU HG . 30774 1 908 . 1 . 1 78 78 LEU HD11 H 1 0.5850 0.0000 . 1 . . . . A 78 LEU HD11 . 30774 1 909 . 1 . 1 78 78 LEU HD12 H 1 0.5850 0.0000 . 1 . . . . A 78 LEU HD12 . 30774 1 910 . 1 . 1 78 78 LEU HD13 H 1 0.5850 0.0000 . 1 . . . . A 78 LEU HD13 . 30774 1 911 . 1 . 1 78 78 LEU HD21 H 1 0.6550 0.0000 . 1 . . . . A 78 LEU HD21 . 30774 1 912 . 1 . 1 78 78 LEU HD22 H 1 0.6550 0.0000 . 1 . . . . A 78 LEU HD22 . 30774 1 913 . 1 . 1 78 78 LEU HD23 H 1 0.6550 0.0000 . 1 . . . . A 78 LEU HD23 . 30774 1 914 . 1 . 1 78 78 LEU C C 13 178.6890 0.0000 . 1 . . . . A 78 LEU C . 30774 1 915 . 1 . 1 78 78 LEU CA C 13 57.9000 0.0000 . 1 . . . . A 78 LEU CA . 30774 1 916 . 1 . 1 78 78 LEU CB C 13 41.4300 0.0000 . 1 . . . . A 78 LEU CB . 30774 1 917 . 1 . 1 78 78 LEU CG C 13 25.7500 0.0000 . 1 . . . . A 78 LEU CG . 30774 1 918 . 1 . 1 78 78 LEU CD1 C 13 25.8000 0.0000 . 1 . . . . A 78 LEU CD1 . 30774 1 919 . 1 . 1 78 78 LEU CD2 C 13 24.3000 0.0000 . 1 . . . . A 78 LEU CD2 . 30774 1 920 . 1 . 1 78 78 LEU N N 15 119.2320 0.0000 . 1 . . . . A 78 LEU N . 30774 1 921 . 1 . 1 79 79 VAL H H 1 7.1540 0.0000 . 1 . . . . A 79 VAL H . 30774 1 922 . 1 . 1 79 79 VAL HA H 1 3.2300 0.0000 . 1 . . . . A 79 VAL HA . 30774 1 923 . 1 . 1 79 79 VAL HB H 1 2.1400 0.0000 . 1 . . . . A 79 VAL HB . 30774 1 924 . 1 . 1 79 79 VAL HG11 H 1 0.6520 0.0000 . 1 . . . . A 79 VAL HG11 . 30774 1 925 . 1 . 1 79 79 VAL HG12 H 1 0.6520 0.0000 . 1 . . . . A 79 VAL HG12 . 30774 1 926 . 1 . 1 79 79 VAL HG13 H 1 0.6520 0.0000 . 1 . . . . A 79 VAL HG13 . 30774 1 927 . 1 . 1 79 79 VAL HG21 H 1 0.9700 0.0000 . 1 . . . . A 79 VAL HG21 . 30774 1 928 . 1 . 1 79 79 VAL HG22 H 1 0.9700 0.0000 . 1 . . . . A 79 VAL HG22 . 30774 1 929 . 1 . 1 79 79 VAL HG23 H 1 0.9700 0.0000 . 1 . . . . A 79 VAL HG23 . 30774 1 930 . 1 . 1 79 79 VAL C C 13 177.4530 0.0000 . 1 . . . . A 79 VAL C . 30774 1 931 . 1 . 1 79 79 VAL CA C 13 66.7100 0.0000 . 1 . . . . A 79 VAL CA . 30774 1 932 . 1 . 1 79 79 VAL CB C 13 31.1800 0.0000 . 1 . . . . A 79 VAL CB . 30774 1 933 . 1 . 1 79 79 VAL CG1 C 13 21.6900 0.0000 . 1 . . . . A 79 VAL CG1 . 30774 1 934 . 1 . 1 79 79 VAL CG2 C 13 23.4300 0.0000 . 1 . . . . A 79 VAL CG2 . 30774 1 935 . 1 . 1 79 79 VAL N N 15 117.9470 0.0000 . 1 . . . . A 79 VAL N . 30774 1 936 . 1 . 1 80 80 MET H H 1 7.8050 0.0000 . 1 . . . . A 80 MET H . 30774 1 937 . 1 . 1 80 80 MET HA H 1 3.5400 0.0000 . 1 . . . . A 80 MET HA . 30774 1 938 . 1 . 1 80 80 MET HB2 H 1 1.9620 0.0000 . 2 . . . . A 80 MET HB2 . 30774 1 939 . 1 . 1 80 80 MET HB3 H 1 1.8160 0.0000 . 2 . . . . A 80 MET HB3 . 30774 1 940 . 1 . 1 80 80 MET HG2 H 1 2.1000 0.0000 . 2 . . . . A 80 MET HG2 . 30774 1 941 . 1 . 1 80 80 MET HG3 H 1 2.4750 0.0000 . 2 . . . . A 80 MET HG3 . 30774 1 942 . 1 . 1 80 80 MET HE1 H 1 1.4940 0.0000 . 1 . . . . A 80 MET HE1 . 30774 1 943 . 1 . 1 80 80 MET HE2 H 1 1.4940 0.0000 . 1 . . . . A 80 MET HE2 . 30774 1 944 . 1 . 1 80 80 MET HE3 H 1 1.4940 0.0000 . 1 . . . . A 80 MET HE3 . 30774 1 945 . 1 . 1 80 80 MET C C 13 178.7640 0.0000 . 1 . . . . A 80 MET C . 30774 1 946 . 1 . 1 80 80 MET CA C 13 59.1600 0.0000 . 1 . . . . A 80 MET CA . 30774 1 947 . 1 . 1 80 80 MET CB C 13 32.6900 0.0000 . 1 . . . . A 80 MET CB . 30774 1 948 . 1 . 1 80 80 MET CG C 13 31.1500 0.0000 . 1 . . . . A 80 MET CG . 30774 1 949 . 1 . 1 80 80 MET CE C 13 17.3350 0.0000 . 1 . . . . A 80 MET CE . 30774 1 950 . 1 . 1 80 80 MET N N 15 119.7890 0.0000 . 1 . . . . A 80 MET N . 30774 1 951 . 1 . 1 81 81 MET H H 1 7.9730 0.0000 . 1 . . . . A 81 MET H . 30774 1 952 . 1 . 1 81 81 MET HA H 1 3.9900 0.0000 . 1 . . . . A 81 MET HA . 30774 1 953 . 1 . 1 81 81 MET HB2 H 1 1.0100 0.0000 . 2 . . . . A 81 MET HB2 . 30774 1 954 . 1 . 1 81 81 MET HB3 H 1 1.3700 0.0000 . 2 . . . . A 81 MET HB3 . 30774 1 955 . 1 . 1 81 81 MET HG2 H 1 1.0700 0.0000 . 2 . . . . A 81 MET HG2 . 30774 1 956 . 1 . 1 81 81 MET HG3 H 1 1.4200 0.0000 . 2 . . . . A 81 MET HG3 . 30774 1 957 . 1 . 1 81 81 MET HE1 H 1 1.5320 0.0000 . 1 . . . . A 81 MET HE1 . 30774 1 958 . 1 . 1 81 81 MET HE2 H 1 1.5320 0.0000 . 1 . . . . A 81 MET HE2 . 30774 1 959 . 1 . 1 81 81 MET HE3 H 1 1.5320 0.0000 . 1 . . . . A 81 MET HE3 . 30774 1 960 . 1 . 1 81 81 MET C C 13 179.3310 0.0000 . 1 . . . . A 81 MET C . 30774 1 961 . 1 . 1 81 81 MET CA C 13 56.2400 0.0000 . 1 . . . . A 81 MET CA . 30774 1 962 . 1 . 1 81 81 MET CB C 13 31.5500 0.0000 . 1 . . . . A 81 MET CB . 30774 1 963 . 1 . 1 81 81 MET CG C 13 31.6000 0.0000 . 1 . . . . A 81 MET CG . 30774 1 964 . 1 . 1 81 81 MET CE C 13 18.1780 0.0000 . 1 . . . . A 81 MET CE . 30774 1 965 . 1 . 1 81 81 MET N N 15 117.4380 0.0000 . 1 . . . . A 81 MET N . 30774 1 966 . 1 . 1 82 82 VAL H H 1 8.1850 0.0000 . 1 . . . . A 82 VAL H . 30774 1 967 . 1 . 1 82 82 VAL HA H 1 3.8800 0.0000 . 1 . . . . A 82 VAL HA . 30774 1 968 . 1 . 1 82 82 VAL HB H 1 2.1500 0.0000 . 1 . . . . A 82 VAL HB . 30774 1 969 . 1 . 1 82 82 VAL HG11 H 1 0.9600 0.0000 . 1 . . . . A 82 VAL HG11 . 30774 1 970 . 1 . 1 82 82 VAL HG12 H 1 0.9600 0.0000 . 1 . . . . A 82 VAL HG12 . 30774 1 971 . 1 . 1 82 82 VAL HG13 H 1 0.9600 0.0000 . 1 . . . . A 82 VAL HG13 . 30774 1 972 . 1 . 1 82 82 VAL HG21 H 1 1.0600 0.0000 . 1 . . . . A 82 VAL HG21 . 30774 1 973 . 1 . 1 82 82 VAL HG22 H 1 1.0600 0.0000 . 1 . . . . A 82 VAL HG22 . 30774 1 974 . 1 . 1 82 82 VAL HG23 H 1 1.0600 0.0000 . 1 . . . . A 82 VAL HG23 . 30774 1 975 . 1 . 1 82 82 VAL C C 13 179.0680 0.0000 . 1 . . . . A 82 VAL C . 30774 1 976 . 1 . 1 82 82 VAL CA C 13 65.9300 0.0000 . 1 . . . . A 82 VAL CA . 30774 1 977 . 1 . 1 82 82 VAL CB C 13 31.7000 0.0000 . 1 . . . . A 82 VAL CB . 30774 1 978 . 1 . 1 82 82 VAL CG1 C 13 21.8000 0.0000 . 1 . . . . A 82 VAL CG1 . 30774 1 979 . 1 . 1 82 82 VAL CG2 C 13 22.4000 0.0000 . 1 . . . . A 82 VAL CG2 . 30774 1 980 . 1 . 1 82 82 VAL N N 15 118.3230 0.0000 . 1 . . . . A 82 VAL N . 30774 1 981 . 1 . 1 83 83 ARG H H 1 8.2650 0.0000 . 1 . . . . A 83 ARG H . 30774 1 982 . 1 . 1 83 83 ARG HA H 1 3.8250 0.0000 . 1 . . . . A 83 ARG HA . 30774 1 983 . 1 . 1 83 83 ARG HB2 H 1 1.5500 0.0000 . 2 . . . . A 83 ARG HB2 . 30774 1 984 . 1 . 1 83 83 ARG HB3 H 1 1.6700 0.0000 . 2 . . . . A 83 ARG HB3 . 30774 1 985 . 1 . 1 83 83 ARG HG2 H 1 1.0260 0.0000 . 2 . . . . A 83 ARG HG2 . 30774 1 986 . 1 . 1 83 83 ARG HG3 H 1 1.4230 0.0000 . 2 . . . . A 83 ARG HG3 . 30774 1 987 . 1 . 1 83 83 ARG HD2 H 1 2.7100 0.0000 . 2 . . . . A 83 ARG HD2 . 30774 1 988 . 1 . 1 83 83 ARG HD3 H 1 2.7100 0.0000 . 2 . . . . A 83 ARG HD3 . 30774 1 989 . 1 . 1 83 83 ARG C C 13 178.1130 0.0000 . 1 . . . . A 83 ARG C . 30774 1 990 . 1 . 1 83 83 ARG CA C 13 59.2400 0.0000 . 1 . . . . A 83 ARG CA . 30774 1 991 . 1 . 1 83 83 ARG CB C 13 30.1000 0.0000 . 1 . . . . A 83 ARG CB . 30774 1 992 . 1 . 1 83 83 ARG CG C 13 27.6400 0.0000 . 1 . . . . A 83 ARG CG . 30774 1 993 . 1 . 1 83 83 ARG CD C 13 43.5900 0.0000 . 1 . . . . A 83 ARG CD . 30774 1 994 . 1 . 1 83 83 ARG N N 15 120.3750 0.0000 . 1 . . . . A 83 ARG N . 30774 1 995 . 1 . 1 84 84 SER H H 1 7.6730 0.0000 . 1 . . . . A 84 SER H . 30774 1 996 . 1 . 1 84 84 SER HA H 1 4.3470 0.0000 . 1 . . . . A 84 SER HA . 30774 1 997 . 1 . 1 84 84 SER HB2 H 1 3.9700 0.0000 . 1 . . . . A 84 SER HB2 . 30774 1 998 . 1 . 1 84 84 SER HB3 H 1 3.9700 0.0000 . 1 . . . . A 84 SER HB3 . 30774 1 999 . 1 . 1 84 84 SER C C 13 175.7040 0.0000 . 1 . . . . A 84 SER C . 30774 1 1000 . 1 . 1 84 84 SER CA C 13 60.2600 0.0000 . 1 . . . . A 84 SER CA . 30774 1 1001 . 1 . 1 84 84 SER CB C 13 63.5000 0.0000 . 1 . . . . A 84 SER CB . 30774 1 1002 . 1 . 1 84 84 SER N N 15 113.7260 0.0000 . 1 . . . . A 84 SER N . 30774 1 1003 . 1 . 1 85 85 MET H H 1 7.8570 0.0000 . 1 . . . . A 85 MET H . 30774 1 1004 . 1 . 1 85 85 MET HA H 1 4.3500 0.0000 . 1 . . . . A 85 MET HA . 30774 1 1005 . 1 . 1 85 85 MET HB2 H 1 2.1300 0.0000 . 2 . . . . A 85 MET HB2 . 30774 1 1006 . 1 . 1 85 85 MET HB3 H 1 2.2360 0.0000 . 2 . . . . A 85 MET HB3 . 30774 1 1007 . 1 . 1 85 85 MET HG2 H 1 2.6200 0.0000 . 2 . . . . A 85 MET HG2 . 30774 1 1008 . 1 . 1 85 85 MET HG3 H 1 2.8200 0.0000 . 2 . . . . A 85 MET HG3 . 30774 1 1009 . 1 . 1 85 85 MET HE1 H 1 2.1100 0.0000 . 1 . . . . A 85 MET HE1 . 30774 1 1010 . 1 . 1 85 85 MET HE2 H 1 2.1100 0.0000 . 1 . . . . A 85 MET HE2 . 30774 1 1011 . 1 . 1 85 85 MET HE3 H 1 2.1100 0.0000 . 1 . . . . A 85 MET HE3 . 30774 1 1012 . 1 . 1 85 85 MET C C 13 176.9630 0.0000 . 1 . . . . A 85 MET C . 30774 1 1013 . 1 . 1 85 85 MET CA C 13 57.3400 0.0000 . 1 . . . . A 85 MET CA . 30774 1 1014 . 1 . 1 85 85 MET CB C 13 33.8340 0.0000 . 1 . . . . A 85 MET CB . 30774 1 1015 . 1 . 1 85 85 MET CG C 13 32.2500 0.0000 . 1 . . . . A 85 MET CG . 30774 1 1016 . 1 . 1 85 85 MET CE C 13 16.8500 0.0000 . 1 . . . . A 85 MET CE . 30774 1 1017 . 1 . 1 85 85 MET N N 15 120.5010 0.0000 . 1 . . . . A 85 MET N . 30774 1 1018 . 1 . 1 86 86 LYS H H 1 7.8940 0.0000 . 1 . . . . A 86 LYS H . 30774 1 1019 . 1 . 1 86 86 LYS HA H 1 4.3700 0.0000 . 1 . . . . A 86 LYS HA . 30774 1 1020 . 1 . 1 86 86 LYS HB2 H 1 1.8820 0.0000 . 2 . . . . A 86 LYS HB2 . 30774 1 1021 . 1 . 1 86 86 LYS HB3 H 1 1.9430 0.0000 . 2 . . . . A 86 LYS HB3 . 30774 1 1022 . 1 . 1 86 86 LYS C C 13 176.5820 0.0000 . 1 . . . . A 86 LYS C . 30774 1 1023 . 1 . 1 86 86 LYS CA C 13 56.7970 0.0000 . 1 . . . . A 86 LYS CA . 30774 1 1024 . 1 . 1 86 86 LYS CB C 13 32.9210 0.0000 . 1 . . . . A 86 LYS CB . 30774 1 1025 . 1 . 1 86 86 LYS CG C 13 24.7660 0.0000 . 1 . . . . A 86 LYS CG . 30774 1 1026 . 1 . 1 86 86 LYS CD C 13 28.9060 0.0000 . 1 . . . . A 86 LYS CD . 30774 1 1027 . 1 . 1 86 86 LYS N N 15 119.5370 0.0000 . 1 . . . . A 86 LYS N . 30774 1 1028 . 1 . 1 87 87 ASP H H 1 8.2560 0.0000 . 1 . . . . A 87 ASP H . 30774 1 1029 . 1 . 1 87 87 ASP HA H 1 4.6350 0.0000 . 1 . . . . A 87 ASP HA . 30774 1 1030 . 1 . 1 87 87 ASP HB2 H 1 2.7670 0.0000 . 2 . . . . A 87 ASP HB2 . 30774 1 1031 . 1 . 1 87 87 ASP HB3 H 1 2.7670 0.0000 . 2 . . . . A 87 ASP HB3 . 30774 1 1032 . 1 . 1 87 87 ASP C C 13 176.4810 0.0000 . 1 . . . . A 87 ASP C . 30774 1 1033 . 1 . 1 87 87 ASP CA C 13 54.7000 0.0000 . 1 . . . . A 87 ASP CA . 30774 1 1034 . 1 . 1 87 87 ASP CB C 13 41.2000 0.0000 . 1 . . . . A 87 ASP CB . 30774 1 1035 . 1 . 1 87 87 ASP N N 15 121.4910 0.0000 . 1 . . . . A 87 ASP N . 30774 1 1036 . 1 . 1 88 88 ASP H H 1 8.3260 0.0000 . 1 . . . . A 88 ASP H . 30774 1 1037 . 1 . 1 88 88 ASP HA H 1 4.6750 0.0000 . 1 . . . . A 88 ASP HA . 30774 1 1038 . 1 . 1 88 88 ASP HB2 H 1 2.7400 0.0000 . 2 . . . . A 88 ASP HB2 . 30774 1 1039 . 1 . 1 88 88 ASP HB3 H 1 2.7400 0.0000 . 2 . . . . A 88 ASP HB3 . 30774 1 1040 . 1 . 1 88 88 ASP C C 13 177.0780 0.0000 . 1 . . . . A 88 ASP C . 30774 1 1041 . 1 . 1 88 88 ASP CA C 13 54.4400 0.0000 . 1 . . . . A 88 ASP CA . 30774 1 1042 . 1 . 1 88 88 ASP CB C 13 41.2200 0.0000 . 1 . . . . A 88 ASP CB . 30774 1 1043 . 1 . 1 88 88 ASP N N 15 122.1820 0.0000 . 1 . . . . A 88 ASP N . 30774 1 1044 . 1 . 1 89 89 SER H H 1 8.3210 0.0000 . 1 . . . . A 89 SER H . 30774 1 1045 . 1 . 1 89 89 SER HA H 1 4.3500 0.0000 . 1 . . . . A 89 SER HA . 30774 1 1046 . 1 . 1 89 89 SER HB2 H 1 3.9560 0.0000 . 2 . . . . A 89 SER HB2 . 30774 1 1047 . 1 . 1 89 89 SER HB3 H 1 3.9680 0.0000 . 2 . . . . A 89 SER HB3 . 30774 1 1048 . 1 . 1 89 89 SER C C 13 175.1600 0.0000 . 1 . . . . A 89 SER C . 30774 1 1049 . 1 . 1 89 89 SER CA C 13 59.5200 0.0000 . 1 . . . . A 89 SER CA . 30774 1 1050 . 1 . 1 89 89 SER CB C 13 63.5100 0.0000 . 1 . . . . A 89 SER CB . 30774 1 1051 . 1 . 1 89 89 SER N N 15 116.2090 0.0000 . 1 . . . . A 89 SER N . 30774 1 1052 . 1 . 1 90 90 LYS H H 1 8.1970 0.0000 . 1 . . . . A 90 LYS H . 30774 1 1053 . 1 . 1 90 90 LYS HA H 1 4.3350 0.0000 . 1 . . . . A 90 LYS HA . 30774 1 1054 . 1 . 1 90 90 LYS HB2 H 1 1.8600 0.0000 . 2 . . . . A 90 LYS HB2 . 30774 1 1055 . 1 . 1 90 90 LYS HB3 H 1 1.9380 0.0000 . 2 . . . . A 90 LYS HB3 . 30774 1 1056 . 1 . 1 90 90 LYS HG2 H 1 1.4900 0.0000 . 2 . . . . A 90 LYS HG2 . 30774 1 1057 . 1 . 1 90 90 LYS HG3 H 1 1.4900 0.0000 . 2 . . . . A 90 LYS HG3 . 30774 1 1058 . 1 . 1 90 90 LYS HD2 H 1 1.6840 0.0000 . 2 . . . . A 90 LYS HD2 . 30774 1 1059 . 1 . 1 90 90 LYS HD3 H 1 1.6840 0.0000 . 2 . . . . A 90 LYS HD3 . 30774 1 1060 . 1 . 1 90 90 LYS HE2 H 1 2.9900 0.0000 . 2 . . . . A 90 LYS HE2 . 30774 1 1061 . 1 . 1 90 90 LYS HE3 H 1 2.9900 0.0000 . 2 . . . . A 90 LYS HE3 . 30774 1 1062 . 1 . 1 90 90 LYS C C 13 177.2370 0.0000 . 1 . . . . A 90 LYS C . 30774 1 1063 . 1 . 1 90 90 LYS CA C 13 56.4600 0.0000 . 1 . . . . A 90 LYS CA . 30774 1 1064 . 1 . 1 90 90 LYS CB C 13 32.9000 0.0000 . 1 . . . . A 90 LYS CB . 30774 1 1065 . 1 . 1 90 90 LYS CG C 13 24.7630 0.0000 . 1 . . . . A 90 LYS CG . 30774 1 1066 . 1 . 1 90 90 LYS CD C 13 28.8800 0.0000 . 1 . . . . A 90 LYS CD . 30774 1 1067 . 1 . 1 90 90 LYS CE C 13 41.8770 0.0000 . 1 . . . . A 90 LYS CE . 30774 1 1068 . 1 . 1 90 90 LYS N N 15 121.3690 0.0000 . 1 . . . . A 90 LYS N . 30774 1 1069 . 1 . 1 91 91 GLY H H 1 8.2400 0.0000 . 1 . . . . A 136 GLY H . 30774 1 1070 . 1 . 1 91 91 GLY HA2 H 1 3.9230 0.0000 . 2 . . . . A 136 GLY HA2 . 30774 1 1071 . 1 . 1 91 91 GLY HA3 H 1 3.9230 0.0000 . 2 . . . . A 136 GLY HA3 . 30774 1 1072 . 1 . 1 91 91 GLY C C 13 174.3820 0.0000 . 1 . . . . A 136 GLY C . 30774 1 1073 . 1 . 1 91 91 GLY CA C 13 45.4600 0.0000 . 1 . . . . A 136 GLY CA . 30774 1 1074 . 1 . 1 91 91 GLY N N 15 108.9270 0.0000 . 1 . . . . A 136 GLY N . 30774 1 1075 . 1 . 1 92 92 LYS H H 1 8.0740 0.0000 . 1 . . . . A 137 LYS H . 30774 1 1076 . 1 . 1 92 92 LYS HA H 1 4.1680 0.0000 . 1 . . . . A 137 LYS HA . 30774 1 1077 . 1 . 1 92 92 LYS HB2 H 1 1.6110 0.0000 . 2 . . . . A 137 LYS HB2 . 30774 1 1078 . 1 . 1 92 92 LYS HB3 H 1 1.6110 0.0000 . 2 . . . . A 137 LYS HB3 . 30774 1 1079 . 1 . 1 92 92 LYS HG2 H 1 1.2400 0.0000 . 2 . . . . A 137 LYS HG2 . 30774 1 1080 . 1 . 1 92 92 LYS HG3 H 1 1.1800 0.0000 . 2 . . . . A 137 LYS HG3 . 30774 1 1081 . 1 . 1 92 92 LYS HD2 H 1 1.5800 0.0000 . 2 . . . . A 137 LYS HD2 . 30774 1 1082 . 1 . 1 92 92 LYS HD3 H 1 1.5800 0.0000 . 2 . . . . A 137 LYS HD3 . 30774 1 1083 . 1 . 1 92 92 LYS HE2 H 1 2.9150 0.0000 . 2 . . . . A 137 LYS HE2 . 30774 1 1084 . 1 . 1 92 92 LYS HE3 H 1 2.9150 0.0000 . 2 . . . . A 137 LYS HE3 . 30774 1 1085 . 1 . 1 92 92 LYS C C 13 176.4490 0.0000 . 1 . . . . A 137 LYS C . 30774 1 1086 . 1 . 1 92 92 LYS CA C 13 56.6800 0.0000 . 1 . . . . A 137 LYS CA . 30774 1 1087 . 1 . 1 92 92 LYS CB C 13 32.7800 0.0000 . 1 . . . . A 137 LYS CB . 30774 1 1088 . 1 . 1 92 92 LYS CG C 13 24.6000 0.0000 . 1 . . . . A 137 LYS CG . 30774 1 1089 . 1 . 1 92 92 LYS CD C 13 28.9100 0.0000 . 1 . . . . A 137 LYS CD . 30774 1 1090 . 1 . 1 92 92 LYS CE C 13 41.8600 0.0000 . 1 . . . . A 137 LYS CE . 30774 1 1091 . 1 . 1 92 92 LYS N N 15 120.5390 0.0000 . 1 . . . . A 137 LYS N . 30774 1 1092 . 1 . 1 93 93 PHE H H 1 8.1290 0.0000 . 1 . . . . A 138 PHE H . 30774 1 1093 . 1 . 1 93 93 PHE HA H 1 4.6480 0.0000 . 1 . . . . A 138 PHE HA . 30774 1 1094 . 1 . 1 93 93 PHE HB2 H 1 3.2080 0.0000 . 2 . . . . A 138 PHE HB2 . 30774 1 1095 . 1 . 1 93 93 PHE HB3 H 1 2.9770 0.0000 . 2 . . . . A 138 PHE HB3 . 30774 1 1096 . 1 . 1 93 93 PHE HD1 H 1 7.2530 0.0000 . 1 . . . . A 138 PHE HD1 . 30774 1 1097 . 1 . 1 93 93 PHE HD2 H 1 7.2600 0.0000 . 1 . . . . A 138 PHE HD2 . 30774 1 1098 . 1 . 1 93 93 PHE C C 13 175.5020 0.0000 . 1 . . . . A 138 PHE C . 30774 1 1099 . 1 . 1 93 93 PHE CA C 13 57.2300 0.0000 . 1 . . . . A 138 PHE CA . 30774 1 1100 . 1 . 1 93 93 PHE CB C 13 39.4200 0.0000 . 1 . . . . A 138 PHE CB . 30774 1 1101 . 1 . 1 93 93 PHE CD1 C 13 131.9360 0.0000 . 1 . . . . A 138 PHE CD1 . 30774 1 1102 . 1 . 1 93 93 PHE CD2 C 13 131.9360 0.0000 . 1 . . . . A 138 PHE CD2 . 30774 1 1103 . 1 . 1 93 93 PHE N N 15 119.3060 0.0000 . 1 . . . . A 138 PHE N . 30774 1 1104 . 1 . 1 94 94 LYS H H 1 8.2350 0.0000 . 1 . . . . A 139 LYS H . 30774 1 1105 . 1 . 1 94 94 LYS HA H 1 4.2600 0.0000 . 1 . . . . A 139 LYS HA . 30774 1 1106 . 1 . 1 94 94 LYS HB2 H 1 1.7970 0.0000 . 2 . . . . A 139 LYS HB2 . 30774 1 1107 . 1 . 1 94 94 LYS HB3 H 1 1.7300 0.0000 . 2 . . . . A 139 LYS HB3 . 30774 1 1108 . 1 . 1 94 94 LYS HG2 H 1 1.4000 0.0000 . 2 . . . . A 139 LYS HG2 . 30774 1 1109 . 1 . 1 94 94 LYS HG3 H 1 1.4000 0.0000 . 2 . . . . A 139 LYS HG3 . 30774 1 1110 . 1 . 1 94 94 LYS HD2 H 1 1.7150 0.0000 . 2 . . . . A 139 LYS HD2 . 30774 1 1111 . 1 . 1 94 94 LYS HE2 H 1 2.9800 0.0000 . 2 . . . . A 139 LYS HE2 . 30774 1 1112 . 1 . 1 94 94 LYS C C 13 175.9990 0.0000 . 1 . . . . A 139 LYS C . 30774 1 1113 . 1 . 1 94 94 LYS CA C 13 56.4000 0.0000 . 1 . . . . A 139 LYS CA . 30774 1 1114 . 1 . 1 94 94 LYS CB C 13 32.9300 0.0000 . 1 . . . . A 139 LYS CB . 30774 1 1115 . 1 . 1 94 94 LYS CG C 13 24.8000 0.0000 . 1 . . . . A 139 LYS CG . 30774 1 1116 . 1 . 1 94 94 LYS CD C 13 28.9690 0.0000 . 1 . . . . A 139 LYS CD . 30774 1 1117 . 1 . 1 94 94 LYS CE C 13 41.9900 0.0000 . 1 . . . . A 139 LYS CE . 30774 1 1118 . 1 . 1 94 94 LYS N N 15 122.4520 0.0000 . 1 . . . . A 139 LYS N . 30774 1 1119 . 1 . 1 95 95 ARG H H 1 8.2490 0.0000 . 1 . . . . A 140 ARG H . 30774 1 1120 . 1 . 1 95 95 ARG HA H 1 4.6100 0.0000 . 1 . . . . A 140 ARG HA . 30774 1 1121 . 1 . 1 95 95 ARG HB2 H 1 1.8720 0.0000 . 2 . . . . A 140 ARG HB2 . 30774 1 1122 . 1 . 1 95 95 ARG HB3 H 1 1.7650 0.0000 . 2 . . . . A 140 ARG HB3 . 30774 1 1123 . 1 . 1 95 95 ARG HG2 H 1 1.6900 0.0000 . 2 . . . . A 140 ARG HG2 . 30774 1 1124 . 1 . 1 95 95 ARG HG3 H 1 1.6900 0.0000 . 2 . . . . A 140 ARG HG3 . 30774 1 1125 . 1 . 1 95 95 ARG HD2 H 1 3.2100 0.0000 . 2 . . . . A 140 ARG HD2 . 30774 1 1126 . 1 . 1 95 95 ARG HD3 H 1 3.2100 0.0000 . 2 . . . . A 140 ARG HD3 . 30774 1 1127 . 1 . 1 95 95 ARG CA C 13 53.9800 0.0000 . 1 . . . . A 140 ARG CA . 30774 1 1128 . 1 . 1 95 95 ARG CB C 13 30.2670 0.0000 . 1 . . . . A 140 ARG CB . 30774 1 1129 . 1 . 1 95 95 ARG CG C 13 27.0000 0.0000 . 1 . . . . A 140 ARG CG . 30774 1 1130 . 1 . 1 95 95 ARG CD C 13 43.3000 0.0000 . 1 . . . . A 140 ARG CD . 30774 1 1131 . 1 . 1 95 95 ARG N N 15 122.5610 0.0000 . 1 . . . . A 140 ARG N . 30774 1 1132 . 1 . 1 96 96 PRO HA H 1 4.4700 0.0000 . 1 . . . . A 141 PRO HA . 30774 1 1133 . 1 . 1 96 96 PRO HB2 H 1 1.9560 0.0000 . 2 . . . . A 141 PRO HB2 . 30774 1 1134 . 1 . 1 96 96 PRO HB3 H 1 2.3000 0.0000 . 2 . . . . A 141 PRO HB3 . 30774 1 1135 . 1 . 1 96 96 PRO HG2 H 1 2.0300 0.0000 . 2 . . . . A 141 PRO HG2 . 30774 1 1136 . 1 . 1 96 96 PRO HG3 H 1 2.0300 0.0000 . 2 . . . . A 141 PRO HG3 . 30774 1 1137 . 1 . 1 96 96 PRO HD2 H 1 3.7000 0.0000 . 2 . . . . A 141 PRO HD2 . 30774 1 1138 . 1 . 1 96 96 PRO HD3 H 1 3.8200 0.0000 . 2 . . . . A 141 PRO HD3 . 30774 1 1139 . 1 . 1 96 96 PRO C C 13 177.0420 0.0000 . 1 . . . . A 141 PRO C . 30774 1 1140 . 1 . 1 96 96 PRO CA C 13 63.5950 0.0000 . 1 . . . . A 141 PRO CA . 30774 1 1141 . 1 . 1 96 96 PRO CB C 13 32.0000 0.0000 . 1 . . . . A 141 PRO CB . 30774 1 1142 . 1 . 1 96 96 PRO CG C 13 27.4550 0.0000 . 1 . . . . A 141 PRO CG . 30774 1 1143 . 1 . 1 96 96 PRO CD C 13 50.6700 0.0000 . 1 . . . . A 141 PRO CD . 30774 1 1144 . 1 . 1 97 97 THR H H 1 8.0670 0.0000 . 1 . . . . A 142 THR H . 30774 1 1145 . 1 . 1 97 97 THR HA H 1 4.2880 0.0000 . 1 . . . . A 142 THR HA . 30774 1 1146 . 1 . 1 97 97 THR HB H 1 4.2140 0.0000 . 1 . . . . A 142 THR HB . 30774 1 1147 . 1 . 1 97 97 THR HG21 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG21 . 30774 1 1148 . 1 . 1 97 97 THR HG22 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG22 . 30774 1 1149 . 1 . 1 97 97 THR HG23 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG23 . 30774 1 1150 . 1 . 1 97 97 THR C C 13 174.5600 0.0000 . 1 . . . . A 142 THR C . 30774 1 1151 . 1 . 1 97 97 THR CA C 13 61.9000 0.0000 . 1 . . . . A 142 THR CA . 30774 1 1152 . 1 . 1 97 97 THR CB C 13 69.6300 0.0000 . 1 . . . . A 142 THR CB . 30774 1 1153 . 1 . 1 97 97 THR CG2 C 13 21.7410 0.0000 . 1 . . . . A 142 THR CG2 . 30774 1 1154 . 1 . 1 97 97 THR N N 15 113.7570 0.0000 . 1 . . . . A 142 THR N . 30774 1 1155 . 1 . 1 98 98 LEU H H 1 8.1950 0.0000 . 1 . . . . A 143 LEU H . 30774 1 1156 . 1 . 1 98 98 LEU HA H 1 4.3450 0.0000 . 1 . . . . A 143 LEU HA . 30774 1 1157 . 1 . 1 98 98 LEU HB2 H 1 1.6100 0.0000 . 2 . . . . A 143 LEU HB2 . 30774 1 1158 . 1 . 1 98 98 LEU HB3 H 1 1.6100 0.0000 . 2 . . . . A 143 LEU HB3 . 30774 1 1159 . 1 . 1 98 98 LEU HG H 1 1.5900 0.0000 . 1 . . . . A 143 LEU HG . 30774 1 1160 . 1 . 1 98 98 LEU HD11 H 1 0.8800 0.0000 . 2 . . . . A 143 LEU HD11 . 30774 1 1161 . 1 . 1 98 98 LEU HD12 H 1 0.8800 0.0000 . 2 . . . . A 143 LEU HD12 . 30774 1 1162 . 1 . 1 98 98 LEU HD13 H 1 0.8800 0.0000 . 2 . . . . A 143 LEU HD13 . 30774 1 1163 . 1 . 1 98 98 LEU HD21 H 1 0.8420 0.0000 . 2 . . . . A 143 LEU HD21 . 30774 1 1164 . 1 . 1 98 98 LEU HD22 H 1 0.8420 0.0000 . 2 . . . . A 143 LEU HD22 . 30774 1 1165 . 1 . 1 98 98 LEU HD23 H 1 0.8420 0.0000 . 2 . . . . A 143 LEU HD23 . 30774 1 1166 . 1 . 1 98 98 LEU C C 13 177.0640 0.0000 . 1 . . . . A 143 LEU C . 30774 1 1167 . 1 . 1 98 98 LEU CA C 13 55.2000 0.0000 . 1 . . . . A 143 LEU CA . 30774 1 1168 . 1 . 1 98 98 LEU CB C 13 42.2700 0.0000 . 1 . . . . A 143 LEU CB . 30774 1 1169 . 1 . 1 98 98 LEU CG C 13 27.3300 0.0000 . 1 . . . . A 143 LEU CG . 30774 1 1170 . 1 . 1 98 98 LEU CD1 C 13 25.1000 0.0000 . 2 . . . . A 143 LEU CD1 . 30774 1 1171 . 1 . 1 98 98 LEU CD2 C 13 23.7000 0.0000 . 2 . . . . A 143 LEU CD2 . 30774 1 1172 . 1 . 1 98 98 LEU N N 15 123.8670 0.0000 . 1 . . . . A 143 LEU N . 30774 1 1173 . 1 . 1 99 99 ARG H H 1 8.2740 0.0000 . 1 . . . . A 144 ARG H . 30774 1 1174 . 1 . 1 99 99 ARG HA H 1 4.2300 0.0000 . 1 . . . . A 144 ARG HA . 30774 1 1175 . 1 . 1 99 99 ARG HB3 H 1 1.7000 0.0000 . 2 . . . . A 144 ARG HB3 . 30774 1 1176 . 1 . 1 99 99 ARG CA C 13 56.1610 0.0000 . 1 . . . . A 144 ARG CA . 30774 1 1177 . 1 . 1 99 99 ARG CB C 13 30.7350 0.0000 . 1 . . . . A 144 ARG CB . 30774 1 1178 . 1 . 1 99 99 ARG N N 15 121.4730 0.0000 . 1 . . . . A 144 ARG N . 30774 1 1179 . 1 . 1 100 100 ARG HA H 1 4.2570 0.0000 . 1 . . . . A 145 ARG HA . 30774 1 1180 . 1 . 1 100 100 ARG HB2 H 1 1.8450 0.0000 . 1 . . . . A 145 ARG HB2 . 30774 1 1181 . 1 . 1 100 100 ARG HB3 H 1 1.8450 0.0000 . 1 . . . . A 145 ARG HB3 . 30774 1 1182 . 1 . 1 100 100 ARG HG2 H 1 1.6350 0.0000 . 1 . . . . A 145 ARG HG2 . 30774 1 1183 . 1 . 1 100 100 ARG HG3 H 1 1.6350 0.0000 . 1 . . . . A 145 ARG HG3 . 30774 1 1184 . 1 . 1 100 100 ARG HD2 H 1 3.1870 0.0000 . 1 . . . . A 145 ARG HD2 . 30774 1 1185 . 1 . 1 100 100 ARG HD3 H 1 3.1870 0.0000 . 1 . . . . A 145 ARG HD3 . 30774 1 1186 . 1 . 1 100 100 ARG C C 13 176.2320 0.0000 . 1 . . . . A 145 ARG C . 30774 1 1187 . 1 . 1 100 100 ARG CA C 13 56.5760 0.0000 . 1 . . . . A 145 ARG CA . 30774 1 1188 . 1 . 1 100 100 ARG CB C 13 30.7800 0.0000 . 1 . . . . A 145 ARG CB . 30774 1 1189 . 1 . 1 100 100 ARG CG C 13 27.3000 0.0000 . 1 . . . . A 145 ARG CG . 30774 1 1190 . 1 . 1 100 100 ARG CD C 13 43.3170 0.0000 . 1 . . . . A 145 ARG CD . 30774 1 1191 . 1 . 1 101 101 VAL H H 1 8.0730 0.0000 . 1 . . . . A 146 VAL H . 30774 1 1192 . 1 . 1 101 101 VAL HA H 1 4.1300 0.0000 . 1 . . . . A 146 VAL HA . 30774 1 1193 . 1 . 1 101 101 VAL HB H 1 2.0300 0.0000 . 1 . . . . A 146 VAL HB . 30774 1 1194 . 1 . 1 101 101 VAL HG11 H 1 0.8680 0.0000 . 1 . . . . A 146 VAL HG11 . 30774 1 1195 . 1 . 1 101 101 VAL HG12 H 1 0.8680 0.0000 . 1 . . . . A 146 VAL HG12 . 30774 1 1196 . 1 . 1 101 101 VAL HG13 H 1 0.8680 0.0000 . 1 . . . . A 146 VAL HG13 . 30774 1 1197 . 1 . 1 101 101 VAL HG21 H 1 0.9020 0.0000 . 1 . . . . A 146 VAL HG21 . 30774 1 1198 . 1 . 1 101 101 VAL HG22 H 1 0.9020 0.0000 . 1 . . . . A 146 VAL HG22 . 30774 1 1199 . 1 . 1 101 101 VAL HG23 H 1 0.9020 0.0000 . 1 . . . . A 146 VAL HG23 . 30774 1 1200 . 1 . 1 101 101 VAL C C 13 175.1180 0.0000 . 1 . . . . A 146 VAL C . 30774 1 1201 . 1 . 1 101 101 VAL CA C 13 62.0500 0.0000 . 1 . . . . A 146 VAL CA . 30774 1 1202 . 1 . 1 101 101 VAL CB C 13 32.5000 0.0000 . 1 . . . . A 146 VAL CB . 30774 1 1203 . 1 . 1 101 101 VAL CG1 C 13 21.5300 0.0000 . 1 . . . . A 146 VAL CG1 . 30774 1 1204 . 1 . 1 101 101 VAL CG2 C 13 21.0570 0.0000 . 1 . . . . A 146 VAL CG2 . 30774 1 1205 . 1 . 1 101 101 VAL N N 15 120.5320 0.0000 . 1 . . . . A 146 VAL N . 30774 1 1206 . 1 . 1 102 102 ARG H H 1 8.2270 0.0000 . 1 . . . . A 147 ARG H . 30774 1 1207 . 1 . 1 102 102 ARG HA H 1 4.4230 0.0000 . 1 . . . . A 147 ARG HA . 30774 1 1208 . 1 . 1 102 102 ARG HB2 H 1 1.8380 0.0000 . 2 . . . . A 147 ARG HB2 . 30774 1 1209 . 1 . 1 102 102 ARG HB3 H 1 1.7500 0.0000 . 2 . . . . A 147 ARG HB3 . 30774 1 1210 . 1 . 1 102 102 ARG HG2 H 1 1.5980 0.0000 . 1 . . . . A 147 ARG HG2 . 30774 1 1211 . 1 . 1 102 102 ARG HG3 H 1 1.5980 0.0000 . 1 . . . . A 147 ARG HG3 . 30774 1 1212 . 1 . 1 102 102 ARG HD2 H 1 3.1800 0.0000 . 2 . . . . A 147 ARG HD2 . 30774 1 1213 . 1 . 1 102 102 ARG HD3 H 1 3.1800 0.0000 . 2 . . . . A 147 ARG HD3 . 30774 1 1214 . 1 . 1 102 102 ARG C C 13 175.5880 0.0000 . 1 . . . . A 147 ARG C . 30774 1 1215 . 1 . 1 102 102 ARG CA C 13 55.7500 0.0000 . 1 . . . . A 147 ARG CA . 30774 1 1216 . 1 . 1 102 102 ARG CB C 13 31.4670 0.0000 . 1 . . . . A 147 ARG CB . 30774 1 1217 . 1 . 1 102 102 ARG CG C 13 27.2290 0.0000 . 1 . . . . A 147 ARG CG . 30774 1 1218 . 1 . 1 102 102 ARG CD C 13 43.2900 0.0000 . 1 . . . . A 147 ARG CD . 30774 1 1219 . 1 . 1 102 102 ARG N N 15 124.3700 0.0000 . 1 . . . . A 147 ARG N . 30774 1 1220 . 1 . 1 103 103 ILE H H 1 8.0620 0.0000 . 1 . . . . A 148 ILE H . 30774 1 1221 . 1 . 1 103 103 ILE HA H 1 4.2700 0.0000 . 1 . . . . A 148 ILE HA . 30774 1 1222 . 1 . 1 103 103 ILE HB H 1 1.8000 0.0000 . 1 . . . . A 148 ILE HB . 30774 1 1223 . 1 . 1 103 103 ILE HG12 H 1 1.1400 0.0000 . 2 . . . . A 148 ILE HG12 . 30774 1 1224 . 1 . 1 103 103 ILE HG13 H 1 1.5200 0.0000 . 2 . . . . A 148 ILE HG13 . 30774 1 1225 . 1 . 1 103 103 ILE HG21 H 1 0.9100 0.0000 . 1 . . . . A 148 ILE HG21 . 30774 1 1226 . 1 . 1 103 103 ILE HG22 H 1 0.9100 0.0000 . 1 . . . . A 148 ILE HG22 . 30774 1 1227 . 1 . 1 103 103 ILE HG23 H 1 0.9100 0.0000 . 1 . . . . A 148 ILE HG23 . 30774 1 1228 . 1 . 1 103 103 ILE HD11 H 1 0.8200 0.0000 . 1 . . . . A 148 ILE HD11 . 30774 1 1229 . 1 . 1 103 103 ILE HD12 H 1 0.8200 0.0000 . 1 . . . . A 148 ILE HD12 . 30774 1 1230 . 1 . 1 103 103 ILE HD13 H 1 0.8200 0.0000 . 1 . . . . A 148 ILE HD13 . 30774 1 1231 . 1 . 1 103 103 ILE C C 13 174.9520 0.0000 . 1 . . . . A 148 ILE C . 30774 1 1232 . 1 . 1 103 103 ILE CA C 13 60.1000 0.0000 . 1 . . . . A 148 ILE CA . 30774 1 1233 . 1 . 1 103 103 ILE CB C 13 39.8800 0.0000 . 1 . . . . A 148 ILE CB . 30774 1 1234 . 1 . 1 103 103 ILE CG1 C 13 27.7500 0.0000 . 1 . . . . A 148 ILE CG1 . 30774 1 1235 . 1 . 1 103 103 ILE CG2 C 13 17.4700 0.0000 . 1 . . . . A 148 ILE CG2 . 30774 1 1236 . 1 . 1 103 103 ILE CD1 C 13 13.6000 0.0000 . 1 . . . . A 148 ILE CD1 . 30774 1 1237 . 1 . 1 103 103 ILE N N 15 120.7870 0.0000 . 1 . . . . A 148 ILE N . 30774 1 1238 . 1 . 1 104 104 SER H H 1 8.2330 0.0000 . 1 . . . . A 149 SER H . 30774 1 1239 . 1 . 1 104 104 SER HA H 1 4.5800 0.0000 . 1 . . . . A 149 SER HA . 30774 1 1240 . 1 . 1 104 104 SER HB2 H 1 4.1710 0.0000 . 2 . . . . A 149 SER HB2 . 30774 1 1241 . 1 . 1 104 104 SER HB3 H 1 3.9720 0.0000 . 2 . . . . A 149 SER HB3 . 30774 1 1242 . 1 . 1 104 104 SER C C 13 174.9500 0.0000 . 1 . . . . A 149 SER C . 30774 1 1243 . 1 . 1 104 104 SER CA C 13 57.0100 0.0000 . 1 . . . . A 149 SER CA . 30774 1 1244 . 1 . 1 104 104 SER CB C 13 64.0000 0.0000 . 1 . . . . A 149 SER CB . 30774 1 1245 . 1 . 1 104 104 SER N N 15 120.4260 0.0000 . 1 . . . . A 149 SER N . 30774 1 1246 . 1 . 1 105 105 ALA H H 1 8.7290 0.0000 . 1 . . . . A 150 ALA H . 30774 1 1247 . 1 . 1 105 105 ALA HA H 1 4.0100 0.0000 . 1 . . . . A 150 ALA HA . 30774 1 1248 . 1 . 1 105 105 ALA HB1 H 1 1.5000 0.0000 . 1 . . . . A 150 ALA HB1 . 30774 1 1249 . 1 . 1 105 105 ALA HB2 H 1 1.5000 0.0000 . 1 . . . . A 150 ALA HB2 . 30774 1 1250 . 1 . 1 105 105 ALA HB3 H 1 1.5000 0.0000 . 1 . . . . A 150 ALA HB3 . 30774 1 1251 . 1 . 1 105 105 ALA C C 13 179.0440 0.0000 . 1 . . . . A 150 ALA C . 30774 1 1252 . 1 . 1 105 105 ALA CA C 13 55.8000 0.0000 . 1 . . . . A 150 ALA CA . 30774 1 1253 . 1 . 1 105 105 ALA CB C 13 18.6200 0.0000 . 1 . . . . A 150 ALA CB . 30774 1 1254 . 1 . 1 105 105 ALA N N 15 127.9350 0.0000 . 1 . . . . A 150 ALA N . 30774 1 1255 . 1 . 1 106 106 ASP H H 1 8.4600 0.0000 . 1 . . . . A 151 ASP H . 30774 1 1256 . 1 . 1 106 106 ASP HA H 1 4.3530 0.0000 . 1 . . . . A 151 ASP HA . 30774 1 1257 . 1 . 1 106 106 ASP HB2 H 1 2.6360 0.0000 . 2 . . . . A 151 ASP HB2 . 30774 1 1258 . 1 . 1 106 106 ASP HB3 H 1 2.6360 0.0000 . 2 . . . . A 151 ASP HB3 . 30774 1 1259 . 1 . 1 106 106 ASP C C 13 178.4540 0.0000 . 1 . . . . A 151 ASP C . 30774 1 1260 . 1 . 1 106 106 ASP CA C 13 57.2890 0.0000 . 1 . . . . A 151 ASP CA . 30774 1 1261 . 1 . 1 106 106 ASP CB C 13 40.7500 0.0000 . 1 . . . . A 151 ASP CB . 30774 1 1262 . 1 . 1 106 106 ASP N N 15 116.2750 0.0000 . 1 . . . . A 151 ASP N . 30774 1 1263 . 1 . 1 107 107 ALA H H 1 7.8180 0.0000 . 1 . . . . A 152 ALA H . 30774 1 1264 . 1 . 1 107 107 ALA HA H 1 4.1300 0.0000 . 1 . . . . A 152 ALA HA . 30774 1 1265 . 1 . 1 107 107 ALA HB1 H 1 1.5200 0.0000 . 1 . . . . A 152 ALA HB1 . 30774 1 1266 . 1 . 1 107 107 ALA HB2 H 1 1.5200 0.0000 . 1 . . . . A 152 ALA HB2 . 30774 1 1267 . 1 . 1 107 107 ALA HB3 H 1 1.5200 0.0000 . 1 . . . . A 152 ALA HB3 . 30774 1 1268 . 1 . 1 107 107 ALA C C 13 179.8610 0.0000 . 1 . . . . A 152 ALA C . 30774 1 1269 . 1 . 1 107 107 ALA CA C 13 54.7880 0.0000 . 1 . . . . A 152 ALA CA . 30774 1 1270 . 1 . 1 107 107 ALA CB C 13 18.3600 0.0000 . 1 . . . . A 152 ALA CB . 30774 1 1271 . 1 . 1 107 107 ALA N N 15 122.6540 0.0000 . 1 . . . . A 152 ALA N . 30774 1 1272 . 1 . 1 108 108 MET H H 1 8.2910 0.0000 . 1 . . . . A 153 MET H . 30774 1 1273 . 1 . 1 108 108 MET HA H 1 4.0000 0.0000 . 1 . . . . A 153 MET HA . 30774 1 1274 . 1 . 1 108 108 MET HB2 H 1 2.2170 0.0000 . 2 . . . . A 153 MET HB2 . 30774 1 1275 . 1 . 1 108 108 MET HB3 H 1 2.2650 0.0000 . 2 . . . . A 153 MET HB3 . 30774 1 1276 . 1 . 1 108 108 MET HG2 H 1 2.5000 0.0000 . 2 . . . . A 153 MET HG2 . 30774 1 1277 . 1 . 1 108 108 MET HG3 H 1 2.5700 0.0000 . 2 . . . . A 153 MET HG3 . 30774 1 1278 . 1 . 1 108 108 MET HE1 H 1 2.1500 0.0000 . 1 . . . . A 153 MET HE1 . 30774 1 1279 . 1 . 1 108 108 MET HE2 H 1 2.1500 0.0000 . 1 . . . . A 153 MET HE2 . 30774 1 1280 . 1 . 1 108 108 MET HE3 H 1 2.1500 0.0000 . 1 . . . . A 153 MET HE3 . 30774 1 1281 . 1 . 1 108 108 MET C C 13 177.6000 0.0000 . 1 . . . . A 153 MET C . 30774 1 1282 . 1 . 1 108 108 MET CA C 13 59.2440 0.0000 . 1 . . . . A 153 MET CA . 30774 1 1283 . 1 . 1 108 108 MET CB C 13 32.9400 0.0000 . 1 . . . . A 153 MET CB . 30774 1 1284 . 1 . 1 108 108 MET CG C 13 32.0600 0.0000 . 1 . . . . A 153 MET CG . 30774 1 1285 . 1 . 1 108 108 MET CE C 13 17.7600 0.0000 . 1 . . . . A 153 MET CE . 30774 1 1286 . 1 . 1 108 108 MET N N 15 118.6570 0.0000 . 1 . . . . A 153 MET N . 30774 1 1287 . 1 . 1 109 109 MET H H 1 8.4860 0.0000 . 1 . . . . A 154 MET H . 30774 1 1288 . 1 . 1 109 109 MET HA H 1 4.3860 0.0000 . 1 . . . . A 154 MET HA . 30774 1 1289 . 1 . 1 109 109 MET HB2 H 1 2.3300 0.0000 . 2 . . . . A 154 MET HB2 . 30774 1 1290 . 1 . 1 109 109 MET HB3 H 1 2.3300 0.0000 . 2 . . . . A 154 MET HB3 . 30774 1 1291 . 1 . 1 109 109 MET HG2 H 1 2.7900 0.0000 . 1 . . . . A 154 MET HG2 . 30774 1 1292 . 1 . 1 109 109 MET HG3 H 1 2.7900 0.0000 . 1 . . . . A 154 MET HG3 . 30774 1 1293 . 1 . 1 109 109 MET HE1 H 1 1.9900 0.0000 . 1 . . . . A 154 MET HE1 . 30774 1 1294 . 1 . 1 109 109 MET HE2 H 1 1.9900 0.0000 . 1 . . . . A 154 MET HE2 . 30774 1 1295 . 1 . 1 109 109 MET HE3 H 1 1.9900 0.0000 . 1 . . . . A 154 MET HE3 . 30774 1 1296 . 1 . 1 109 109 MET C C 13 179.0600 0.0000 . 1 . . . . A 154 MET C . 30774 1 1297 . 1 . 1 109 109 MET CA C 13 57.6000 0.0000 . 1 . . . . A 154 MET CA . 30774 1 1298 . 1 . 1 109 109 MET CB C 13 31.4000 0.0000 . 1 . . . . A 154 MET CB . 30774 1 1299 . 1 . 1 109 109 MET CG C 13 32.7600 0.0000 . 1 . . . . A 154 MET CG . 30774 1 1300 . 1 . 1 109 109 MET CE C 13 17.6900 0.0000 . 1 . . . . A 154 MET CE . 30774 1 1301 . 1 . 1 109 109 MET N N 15 117.6470 0.0000 . 1 . . . . A 154 MET N . 30774 1 1302 . 1 . 1 110 110 GLN H H 1 8.0920 0.0000 . 1 . . . . A 155 GLN H . 30774 1 1303 . 1 . 1 110 110 GLN HA H 1 4.0090 0.0000 . 1 . . . . A 155 GLN HA . 30774 1 1304 . 1 . 1 110 110 GLN HB2 H 1 2.1290 0.0000 . 2 . . . . A 155 GLN HB2 . 30774 1 1305 . 1 . 1 110 110 GLN HB3 H 1 2.1290 0.0000 . 2 . . . . A 155 GLN HB3 . 30774 1 1306 . 1 . 1 110 110 GLN HG2 H 1 2.4740 0.0000 . 2 . . . . A 155 GLN HG2 . 30774 1 1307 . 1 . 1 110 110 GLN HG3 H 1 2.3900 0.0000 . 2 . . . . A 155 GLN HG3 . 30774 1 1308 . 1 . 1 110 110 GLN C C 13 178.6400 0.0000 . 1 . . . . A 155 GLN C . 30774 1 1309 . 1 . 1 110 110 GLN CA C 13 58.6000 0.0000 . 1 . . . . A 155 GLN CA . 30774 1 1310 . 1 . 1 110 110 GLN CB C 13 28.3500 0.0000 . 1 . . . . A 155 GLN CB . 30774 1 1311 . 1 . 1 110 110 GLN CG C 13 33.8600 0.0000 . 1 . . . . A 155 GLN CG . 30774 1 1312 . 1 . 1 110 110 GLN N N 15 118.2030 0.0000 . 1 . . . . A 155 GLN N . 30774 1 1313 . 1 . 1 111 111 ALA H H 1 7.8550 0.0000 . 1 . . . . A 156 ALA H . 30774 1 1314 . 1 . 1 111 111 ALA HA H 1 4.1200 0.0000 . 1 . . . . A 156 ALA HA . 30774 1 1315 . 1 . 1 111 111 ALA HB1 H 1 1.4900 0.0000 . 1 . . . . A 156 ALA HB1 . 30774 1 1316 . 1 . 1 111 111 ALA HB2 H 1 1.4900 0.0000 . 1 . . . . A 156 ALA HB2 . 30774 1 1317 . 1 . 1 111 111 ALA HB3 H 1 1.4900 0.0000 . 1 . . . . A 156 ALA HB3 . 30774 1 1318 . 1 . 1 111 111 ALA CA C 13 54.7400 0.0000 . 1 . . . . A 156 ALA CA . 30774 1 1319 . 1 . 1 111 111 ALA CB C 13 18.5900 0.0000 . 1 . . . . A 156 ALA CB . 30774 1 1320 . 1 . 1 111 111 ALA N N 15 121.2980 0.0000 . 1 . . . . A 156 ALA N . 30774 1 1321 . 1 . 1 112 112 LEU H H 1 8.0610 0.0000 . 1 . . . . A 157 LEU H . 30774 1 1322 . 1 . 1 112 112 LEU HA H 1 4.2050 0.0000 . 1 . . . . A 157 LEU HA . 30774 1 1323 . 1 . 1 112 112 LEU HB2 H 1 1.5200 0.0000 . 2 . . . . A 157 LEU HB2 . 30774 1 1324 . 1 . 1 112 112 LEU HB3 H 1 1.9100 0.0000 . 2 . . . . A 157 LEU HB3 . 30774 1 1325 . 1 . 1 112 112 LEU HG H 1 1.8550 0.0000 . 1 . . . . A 157 LEU HG . 30774 1 1326 . 1 . 1 112 112 LEU HD11 H 1 0.9150 0.0000 . 1 . . . . A 157 LEU HD11 . 30774 1 1327 . 1 . 1 112 112 LEU HD12 H 1 0.9150 0.0000 . 1 . . . . A 157 LEU HD12 . 30774 1 1328 . 1 . 1 112 112 LEU HD13 H 1 0.9150 0.0000 . 1 . . . . A 157 LEU HD13 . 30774 1 1329 . 1 . 1 112 112 LEU HD21 H 1 0.6840 0.0000 . 1 . . . . A 157 LEU HD21 . 30774 1 1330 . 1 . 1 112 112 LEU HD22 H 1 0.6840 0.0000 . 1 . . . . A 157 LEU HD22 . 30774 1 1331 . 1 . 1 112 112 LEU HD23 H 1 0.6840 0.0000 . 1 . . . . A 157 LEU HD23 . 30774 1 1332 . 1 . 1 112 112 LEU C C 13 178.0800 0.0000 . 1 . . . . A 157 LEU C . 30774 1 1333 . 1 . 1 112 112 LEU CA C 13 57.0000 0.0000 . 1 . . . . A 157 LEU CA . 30774 1 1334 . 1 . 1 112 112 LEU CB C 13 42.7000 0.0000 . 1 . . . . A 157 LEU CB . 30774 1 1335 . 1 . 1 112 112 LEU CG C 13 27.2000 0.0000 . 1 . . . . A 157 LEU CG . 30774 1 1336 . 1 . 1 112 112 LEU CD1 C 13 26.1700 0.0000 . 1 . . . . A 157 LEU CD1 . 30774 1 1337 . 1 . 1 112 112 LEU CD2 C 13 22.6900 0.0000 . 1 . . . . A 157 LEU CD2 . 30774 1 1338 . 1 . 1 112 112 LEU N N 15 116.4030 0.0000 . 1 . . . . A 157 LEU N . 30774 1 1339 . 1 . 1 113 113 LEU H H 1 8.2190 0.0000 . 1 . . . . A 158 LEU H . 30774 1 1340 . 1 . 1 113 113 LEU HA H 1 4.3700 0.0000 . 1 . . . . A 158 LEU HA . 30774 1 1341 . 1 . 1 113 113 LEU HB2 H 1 1.8950 0.0000 . 2 . . . . A 158 LEU HB2 . 30774 1 1342 . 1 . 1 113 113 LEU HB3 H 1 1.5200 0.0000 . 2 . . . . A 158 LEU HB3 . 30774 1 1343 . 1 . 1 113 113 LEU HG H 1 1.7300 0.0000 . 1 . . . . A 158 LEU HG . 30774 1 1344 . 1 . 1 113 113 LEU HD11 H 1 0.9770 0.0000 . 1 . . . . A 158 LEU HD11 . 30774 1 1345 . 1 . 1 113 113 LEU HD12 H 1 0.9770 0.0000 . 1 . . . . A 158 LEU HD12 . 30774 1 1346 . 1 . 1 113 113 LEU HD13 H 1 0.9770 0.0000 . 1 . . . . A 158 LEU HD13 . 30774 1 1347 . 1 . 1 113 113 LEU HD21 H 1 0.8450 0.0000 . 1 . . . . A 158 LEU HD21 . 30774 1 1348 . 1 . 1 113 113 LEU HD22 H 1 0.8450 0.0000 . 1 . . . . A 158 LEU HD22 . 30774 1 1349 . 1 . 1 113 113 LEU HD23 H 1 0.8450 0.0000 . 1 . . . . A 158 LEU HD23 . 30774 1 1350 . 1 . 1 113 113 LEU C C 13 179.0360 0.0000 . 1 . . . . A 158 LEU C . 30774 1 1351 . 1 . 1 113 113 LEU CA C 13 55.5800 0.0000 . 1 . . . . A 158 LEU CA . 30774 1 1352 . 1 . 1 113 113 LEU CB C 13 42.5500 0.0000 . 1 . . . . A 158 LEU CB . 30774 1 1353 . 1 . 1 113 113 LEU CG C 13 27.1400 0.0000 . 1 . . . . A 158 LEU CG . 30774 1 1354 . 1 . 1 113 113 LEU CD1 C 13 25.9000 0.0000 . 1 . . . . A 158 LEU CD1 . 30774 1 1355 . 1 . 1 113 113 LEU CD2 C 13 22.7500 0.0000 . 1 . . . . A 158 LEU CD2 . 30774 1 1356 . 1 . 1 113 113 LEU N N 15 116.4440 0.0000 . 1 . . . . A 158 LEU N . 30774 1 1357 . 1 . 1 114 114 GLY H H 1 7.8680 0.0000 . 1 . . . . A 159 GLY H . 30774 1 1358 . 1 . 1 114 114 GLY HA2 H 1 3.9960 0.0000 . 2 . . . . A 159 GLY HA2 . 30774 1 1359 . 1 . 1 114 114 GLY HA3 H 1 43.9930 0.0000 . 2 . . . . A 159 GLY HA3 . 30774 1 1360 . 1 . 1 114 114 GLY C C 13 174.5600 0.0000 . 1 . . . . A 159 GLY C . 30774 1 1361 . 1 . 1 114 114 GLY CA C 13 46.0570 0.0000 . 1 . . . . A 159 GLY CA . 30774 1 1362 . 1 . 1 114 114 GLY N N 15 108.5220 0.0000 . 1 . . . . A 159 GLY N . 30774 1 1363 . 1 . 1 115 115 ALA H H 1 23.1280 0.0000 . 1 . . . . A 160 ALA H . 30774 1 1364 . 1 . 1 115 115 ALA HA H 1 4.2400 0.0000 . 1 . . . . A 160 ALA HA . 30774 1 1365 . 1 . 1 115 115 ALA HB1 H 1 1.4100 0.0000 . 1 . . . . A 160 ALA HB1 . 30774 1 1366 . 1 . 1 115 115 ALA HB2 H 1 1.4100 0.0000 . 1 . . . . A 160 ALA HB2 . 30774 1 1367 . 1 . 1 115 115 ALA HB3 H 1 1.4100 0.0000 . 1 . . . . A 160 ALA HB3 . 30774 1 1368 . 1 . 1 115 115 ALA C C 13 178.2900 0.0000 . 1 . . . . A 160 ALA C . 30774 1 1369 . 1 . 1 115 115 ALA CA C 13 53.0900 0.0000 . 1 . . . . A 160 ALA CA . 30774 1 1370 . 1 . 1 115 115 ALA CB C 13 18.7700 0.0000 . 1 . . . . A 160 ALA CB . 30774 1 1371 . 1 . 1 115 115 ALA N N 15 85.3350 0.0000 . 1 . . . . A 160 ALA N . 30774 1 1372 . 1 . 1 116 116 ARG H H 1 7.9770 0.0000 . 1 . . . . A 161 ARG H . 30774 1 1373 . 1 . 1 116 116 ARG HA H 1 4.2330 0.0000 . 1 . . . . A 161 ARG HA . 30774 1 1374 . 1 . 1 116 116 ARG HB2 H 1 1.8850 0.0000 . 2 . . . . A 161 ARG HB2 . 30774 1 1375 . 1 . 1 116 116 ARG HB3 H 1 1.7960 0.0000 . 2 . . . . A 161 ARG HB3 . 30774 1 1376 . 1 . 1 116 116 ARG HG2 H 1 1.6350 0.0000 . 2 . . . . A 161 ARG HG2 . 30774 1 1377 . 1 . 1 116 116 ARG HG3 H 1 1.6800 0.0000 . 2 . . . . A 161 ARG HG3 . 30774 1 1378 . 1 . 1 116 116 ARG HD2 H 1 3.1690 0.0000 . 2 . . . . A 161 ARG HD2 . 30774 1 1379 . 1 . 1 116 116 ARG HD3 H 1 3.1690 0.0000 . 2 . . . . A 161 ARG HD3 . 30774 1 1380 . 1 . 1 116 116 ARG C C 13 176.5900 0.0000 . 1 . . . . A 161 ARG C . 30774 1 1381 . 1 . 1 116 116 ARG CA C 13 56.5000 0.0000 . 1 . . . . A 161 ARG CA . 30774 1 1382 . 1 . 1 116 116 ARG CB C 13 30.5000 0.0000 . 1 . . . . A 161 ARG CB . 30774 1 1383 . 1 . 1 116 116 ARG CG C 13 27.2000 0.0000 . 1 . . . . A 161 ARG CG . 30774 1 1384 . 1 . 1 116 116 ARG CD C 13 43.3070 0.0000 . 1 . . . . A 161 ARG CD . 30774 1 1385 . 1 . 1 116 116 ARG N N 15 118.1200 0.0000 . 1 . . . . A 161 ARG N . 30774 1 1386 . 1 . 1 117 117 ALA H H 1 8.0120 0.0000 . 1 . . . . A 162 ALA H . 30774 1 1387 . 1 . 1 117 117 ALA HA H 1 4.2550 0.0000 . 1 . . . . A 162 ALA HA . 30774 1 1388 . 1 . 1 117 117 ALA HB1 H 1 1.3800 0.0000 . 1 . . . . A 162 ALA HB1 . 30774 1 1389 . 1 . 1 117 117 ALA HB2 H 1 1.3800 0.0000 . 1 . . . . A 162 ALA HB2 . 30774 1 1390 . 1 . 1 117 117 ALA HB3 H 1 1.3800 0.0000 . 1 . . . . A 162 ALA HB3 . 30774 1 1391 . 1 . 1 117 117 ALA C C 13 177.8200 0.0000 . 1 . . . . A 162 ALA C . 30774 1 1392 . 1 . 1 117 117 ALA CA C 13 52.6000 0.0000 . 1 . . . . A 162 ALA CA . 30774 1 1393 . 1 . 1 117 117 ALA CB C 13 18.9000 0.0000 . 1 . . . . A 162 ALA CB . 30774 1 1394 . 1 . 1 117 117 ALA N N 15 123.4690 0.0000 . 1 . . . . A 162 ALA N . 30774 1 1395 . 1 . 1 118 118 LYS H H 1 8.2170 0.0000 . 1 . . . . A 163 LYS H . 30774 1 1396 . 1 . 1 118 118 LYS HA H 1 4.2600 0.0000 . 1 . . . . A 163 LYS HA . 30774 1 1397 . 1 . 1 118 118 LYS HB3 H 1 1.8220 0.0000 . 2 . . . . A 163 LYS HB3 . 30774 1 1398 . 1 . 1 118 118 LYS HG3 H 1 1.4630 0.0000 . 2 . . . . A 163 LYS HG3 . 30774 1 1399 . 1 . 1 118 118 LYS HD2 H 1 1.6660 0.0000 . 2 . . . . A 163 LYS HD2 . 30774 1 1400 . 1 . 1 118 118 LYS HE2 H 1 2.9920 0.0000 . 2 . . . . A 163 LYS HE2 . 30774 1 1401 . 1 . 1 118 118 LYS C C 13 177.2900 0.0000 . 1 . . . . A 163 LYS C . 30774 1 1402 . 1 . 1 118 118 LYS CA C 13 56.6770 0.0000 . 1 . . . . A 163 LYS CA . 30774 1 1403 . 1 . 1 118 118 LYS CB C 13 32.9510 0.0000 . 1 . . . . A 163 LYS CB . 30774 1 1404 . 1 . 1 118 118 LYS CG C 13 24.9980 0.0000 . 1 . . . . A 163 LYS CG . 30774 1 1405 . 1 . 1 118 118 LYS CD C 13 29.0560 0.0000 . 1 . . . . A 163 LYS CD . 30774 1 1406 . 1 . 1 118 118 LYS CE C 13 42.2030 0.0000 . 1 . . . . A 163 LYS CE . 30774 1 1407 . 1 . 1 118 118 LYS N N 15 119.9920 0.0000 . 1 . . . . A 163 LYS N . 30774 1 1408 . 1 . 1 119 119 GLY H H 1 8.3070 0.0000 . 1 . . . . A 164 GLY H . 30774 1 1409 . 1 . 1 119 119 GLY HA2 H 1 3.8970 0.0000 . 2 . . . . A 164 GLY HA2 . 30774 1 1410 . 1 . 1 119 119 GLY HA3 H 1 3.8970 0.0000 . 2 . . . . A 164 GLY HA3 . 30774 1 1411 . 1 . 1 119 119 GLY CA C 13 45.2230 0.0000 . 1 . . . . A 164 GLY CA . 30774 1 1412 . 1 . 1 119 119 GLY N N 15 109.0110 0.0000 . 1 . . . . A 164 GLY N . 30774 1 1413 . 1 . 1 120 120 HIS H H 1 8.1140 0.0000 . 1 . . . . A 165 HIS H . 30774 1 1414 . 1 . 1 120 120 HIS HA H 1 4.5150 0.0000 . 1 . . . . A 165 HIS HA . 30774 1 1415 . 1 . 1 120 120 HIS HB2 H 1 2.9500 0.0000 . 2 . . . . A 165 HIS HB2 . 30774 1 1416 . 1 . 1 120 120 HIS CA C 13 56.3000 0.0000 . 1 . . . . A 165 HIS CA . 30774 1 1417 . 1 . 1 120 120 HIS CB C 13 31.0350 0.0000 . 1 . . . . A 165 HIS CB . 30774 1 1418 . 1 . 1 120 120 HIS N N 15 118.9640 0.0000 . 1 . . . . A 165 HIS N . 30774 1 stop_ save_