data_30529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30529 _Entry.Title ; NMR structure of the cNTnC-cTnI chimera bound to calcium desensitizer W7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-24 _Entry.Accession_date 2018-10-24 _Entry.Last_release_date 2018-11-05 _Entry.Original_release_date 2018-11-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30529 stop_ 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. . . . 30529 2 P. Hwang P. M. . . 30529 3 B. Sykes B. D. . . 30529 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF hand' . 30529 'METAL BINDING PROTEIN' . 30529 W7 . 30529 'calcium binding protein' . 30529 'calcium desensitizer' . 30529 'cardiac troponin' . 30529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 30529 '15N chemical shifts' 114 30529 '1H chemical shifts' 800 30529 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-07-09 2018-10-24 update BMRB 'update entry citation' 30529 1 . . 2018-11-06 2018-10-24 original author 'original release' 30529 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6MV3 . 30529 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.8b00882 _Citation.PubMed_ID 30376637 _Citation.Full_citation . _Citation.Title ; Structural Changes Induced by the Binding of the Calcium Desensitizer W7 to Cardiac Troponin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 46 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 6461 _Citation.Page_last 6469 _Citation.Year 2018 _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. . . . 30529 1 2 P. Hwang P. M. . . 30529 1 3 B. Sykes B. D. . . 30529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30529 _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 entity_1 1 $entity_1 A A yes . . . . . . 30529 1 2 entity_2 2 $entity_CA B A no . . . . . . 30529 1 3 entity_3 3 $entity_WW7 C A no . . . . . . 30529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30529 _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 ; 1-90 are from cardiac troponin C 1-90; 91-118 are from cardiac troponin I 136-163; 119-125 are histag GHHHHHH. ; _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' na 30529 1 TN-C na 30529 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 1 MET . 30529 1 2 2 ASP . 30529 1 3 3 ASP . 30529 1 4 4 ILE . 30529 1 5 5 TYR . 30529 1 6 6 LYS . 30529 1 7 7 ALA . 30529 1 8 8 ALA . 30529 1 9 9 VAL . 30529 1 10 10 GLU . 30529 1 11 11 GLN . 30529 1 12 12 LEU . 30529 1 13 13 THR . 30529 1 14 14 GLU . 30529 1 15 15 GLU . 30529 1 16 16 GLN . 30529 1 17 17 LYS . 30529 1 18 18 ASN . 30529 1 19 19 GLU . 30529 1 20 20 PHE . 30529 1 21 21 LYS . 30529 1 22 22 ALA . 30529 1 23 23 ALA . 30529 1 24 24 PHE . 30529 1 25 25 ASP . 30529 1 26 26 ILE . 30529 1 27 27 PHE . 30529 1 28 28 VAL . 30529 1 29 29 LEU . 30529 1 30 30 GLY . 30529 1 31 31 ALA . 30529 1 32 32 GLU . 30529 1 33 33 ASP . 30529 1 34 34 GLY . 30529 1 35 35 SER . 30529 1 36 36 ILE . 30529 1 37 37 SER . 30529 1 38 38 THR . 30529 1 39 39 LYS . 30529 1 40 40 GLU . 30529 1 41 41 LEU . 30529 1 42 42 GLY . 30529 1 43 43 LYS . 30529 1 44 44 VAL . 30529 1 45 45 MET . 30529 1 46 46 ARG . 30529 1 47 47 MET . 30529 1 48 48 LEU . 30529 1 49 49 GLY . 30529 1 50 50 GLN . 30529 1 51 51 ASN . 30529 1 52 52 PRO . 30529 1 53 53 THR . 30529 1 54 54 PRO . 30529 1 55 55 GLU . 30529 1 56 56 GLU . 30529 1 57 57 LEU . 30529 1 58 58 GLN . 30529 1 59 59 GLU . 30529 1 60 60 MET . 30529 1 61 61 ILE . 30529 1 62 62 ASP . 30529 1 63 63 GLU . 30529 1 64 64 VAL . 30529 1 65 65 ASP . 30529 1 66 66 GLU . 30529 1 67 67 ASP . 30529 1 68 68 GLY . 30529 1 69 69 SER . 30529 1 70 70 GLY . 30529 1 71 71 THR . 30529 1 72 72 VAL . 30529 1 73 73 ASP . 30529 1 74 74 PHE . 30529 1 75 75 ASP . 30529 1 76 76 GLU . 30529 1 77 77 PHE . 30529 1 78 78 LEU . 30529 1 79 79 VAL . 30529 1 80 80 MET . 30529 1 81 81 MET . 30529 1 82 82 VAL . 30529 1 83 83 ARG . 30529 1 84 84 SER . 30529 1 85 85 MET . 30529 1 86 86 LYS . 30529 1 87 87 ASP . 30529 1 88 88 ASP . 30529 1 89 89 SER . 30529 1 90 90 LYS . 30529 1 91 136 GLY . 30529 1 92 137 LYS . 30529 1 93 138 PHE . 30529 1 94 139 LYS . 30529 1 95 140 ARG . 30529 1 96 141 PRO . 30529 1 97 142 THR . 30529 1 98 143 LEU . 30529 1 99 144 ARG . 30529 1 100 145 ARG . 30529 1 101 146 VAL . 30529 1 102 147 ARG . 30529 1 103 148 ILE . 30529 1 104 149 SER . 30529 1 105 150 ALA . 30529 1 106 151 ASP . 30529 1 107 152 ALA . 30529 1 108 153 MET . 30529 1 109 154 MET . 30529 1 110 155 GLN . 30529 1 111 156 ALA . 30529 1 112 157 LEU . 30529 1 113 158 LEU . 30529 1 114 159 GLY . 30529 1 115 160 ALA . 30529 1 116 161 ARG . 30529 1 117 162 ALA . 30529 1 118 163 LYS . 30529 1 119 164 GLY . 30529 1 120 165 HIS . 30529 1 121 166 HIS . 30529 1 122 167 HIS . 30529 1 123 168 HIS . 30529 1 124 169 HIS . 30529 1 125 170 HIS . 30529 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 30529 1 . ASP 2 2 30529 1 . ASP 3 3 30529 1 . ILE 4 4 30529 1 . TYR 5 5 30529 1 . LYS 6 6 30529 1 . ALA 7 7 30529 1 . ALA 8 8 30529 1 . VAL 9 9 30529 1 . GLU 10 10 30529 1 . GLN 11 11 30529 1 . LEU 12 12 30529 1 . THR 13 13 30529 1 . GLU 14 14 30529 1 . GLU 15 15 30529 1 . GLN 16 16 30529 1 . LYS 17 17 30529 1 . ASN 18 18 30529 1 . GLU 19 19 30529 1 . PHE 20 20 30529 1 . LYS 21 21 30529 1 . ALA 22 22 30529 1 . ALA 23 23 30529 1 . PHE 24 24 30529 1 . ASP 25 25 30529 1 . ILE 26 26 30529 1 . PHE 27 27 30529 1 . VAL 28 28 30529 1 . LEU 29 29 30529 1 . GLY 30 30 30529 1 . ALA 31 31 30529 1 . GLU 32 32 30529 1 . ASP 33 33 30529 1 . GLY 34 34 30529 1 . SER 35 35 30529 1 . ILE 36 36 30529 1 . SER 37 37 30529 1 . THR 38 38 30529 1 . LYS 39 39 30529 1 . GLU 40 40 30529 1 . LEU 41 41 30529 1 . GLY 42 42 30529 1 . LYS 43 43 30529 1 . VAL 44 44 30529 1 . MET 45 45 30529 1 . ARG 46 46 30529 1 . MET 47 47 30529 1 . LEU 48 48 30529 1 . GLY 49 49 30529 1 . GLN 50 50 30529 1 . ASN 51 51 30529 1 . PRO 52 52 30529 1 . THR 53 53 30529 1 . PRO 54 54 30529 1 . GLU 55 55 30529 1 . GLU 56 56 30529 1 . LEU 57 57 30529 1 . GLN 58 58 30529 1 . GLU 59 59 30529 1 . MET 60 60 30529 1 . ILE 61 61 30529 1 . ASP 62 62 30529 1 . GLU 63 63 30529 1 . VAL 64 64 30529 1 . ASP 65 65 30529 1 . GLU 66 66 30529 1 . ASP 67 67 30529 1 . GLY 68 68 30529 1 . SER 69 69 30529 1 . GLY 70 70 30529 1 . THR 71 71 30529 1 . VAL 72 72 30529 1 . ASP 73 73 30529 1 . PHE 74 74 30529 1 . ASP 75 75 30529 1 . GLU 76 76 30529 1 . PHE 77 77 30529 1 . LEU 78 78 30529 1 . VAL 79 79 30529 1 . MET 80 80 30529 1 . MET 81 81 30529 1 . VAL 82 82 30529 1 . ARG 83 83 30529 1 . SER 84 84 30529 1 . MET 85 85 30529 1 . LYS 86 86 30529 1 . ASP 87 87 30529 1 . ASP 88 88 30529 1 . SER 89 89 30529 1 . LYS 90 90 30529 1 . GLY 91 91 30529 1 . LYS 92 92 30529 1 . PHE 93 93 30529 1 . LYS 94 94 30529 1 . ARG 95 95 30529 1 . PRO 96 96 30529 1 . THR 97 97 30529 1 . LEU 98 98 30529 1 . ARG 99 99 30529 1 . ARG 100 100 30529 1 . VAL 101 101 30529 1 . ARG 102 102 30529 1 . ILE 103 103 30529 1 . SER 104 104 30529 1 . ALA 105 105 30529 1 . ASP 106 106 30529 1 . ALA 107 107 30529 1 . MET 108 108 30529 1 . MET 109 109 30529 1 . GLN 110 110 30529 1 . ALA 111 111 30529 1 . LEU 112 112 30529 1 . LEU 113 113 30529 1 . GLY 114 114 30529 1 . ALA 115 115 30529 1 . ARG 116 116 30529 1 . ALA 117 117 30529 1 . LYS 118 118 30529 1 . GLY 119 119 30529 1 . HIS 120 120 30529 1 . HIS 121 121 30529 1 . HIS 122 122 30529 1 . HIS 123 123 30529 1 . HIS 124 124 30529 1 . HIS 125 125 30529 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30529 _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 30529 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 30529 2 CA 'Three letter code' 30529 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 30529 2 stop_ save_ save_entity_WW7 _Entity.Sf_category entity _Entity.Sf_framecode entity_WW7 _Entity.Entry_ID 30529 _Entity.ID 3 _Entity.BMRB_code WW7 _Entity.Name entity_WW7 _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 WW7 _Entity.Nonpolymer_comp_label $chem_comp_WW7 _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 340.868 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE BMRB 30529 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE BMRB 30529 3 WW7 'Three letter code' 30529 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 WW7 $chem_comp_WW7 30529 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 30529 _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' . 30529 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 30529 _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) . . . . . . . . . 30529 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 30529 _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 30529 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30529 CA [Ca++] SMILES CACTVS 3.341 30529 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30529 CA [Ca+2] SMILES ACDLabs 10.04 30529 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30529 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30529 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 30529 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30529 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 . 30529 CA stop_ save_ save_chem_comp_WW7 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_WW7 _Chem_comp.Entry_ID 30529 _Chem_comp.ID WW7 _Chem_comp.Provenance PDB _Chem_comp.Name N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code WW7 _Chem_comp.PDB_code WW7 _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 WW7 _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 22 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 _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 'C16 H21 Cl N2 O2 S' _Chem_comp.Formula_weight 340.868 _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 1MUX _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 IDEHCMNLNCJQST-UHFFFAOYSA-N InChIKey InChI 1.03 30529 WW7 InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 InChI InChI 1.03 30529 WW7 NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 SMILES CACTVS 3.341 30529 WW7 NCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 SMILES_CANONICAL CACTVS 3.341 30529 WW7 O=S(=O)(c1cccc2c1cccc2Cl)NCCCCCCN SMILES ACDLabs 10.04 30529 WW7 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN SMILES 'OpenEye OEToolkits' 1.5.0 30529 WW7 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30529 WW7 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-(6-aminohexyl)-5-chloro-naphthalene-1-sulfonamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30529 WW7 N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide 'SYSTEMATIC NAME' ACDLabs 10.04 30529 WW7 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 S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . -38.346 . -6.992 . -13.497 . 2.487 0.171 -0.628 1 . 30529 WW7 O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -38.727 . -7.569 . -12.242 . 2.936 1.307 -1.353 2 . 30529 WW7 O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -39.188 . -7.186 . -14.637 . 3.309 -0.902 -0.190 3 . 30529 WW7 N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -38.413 . -5.278 . -13.206 . 1.759 0.765 0.734 4 . 30529 WW7 C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -33.778 . -8.040 . -14.107 . -0.748 -1.763 -3.188 5 . 30529 WW7 C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . -34.358 . -7.743 . -12.807 . 0.266 -2.498 -2.657 6 . 30529 WW7 C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -35.782 . -7.440 . -12.682 . 1.252 -1.900 -1.875 7 . 30529 WW7 C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . -36.658 . -7.425 . -13.841 . 1.229 -0.563 -1.620 8 . 30529 WW7 C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . -36.104 . -7.723 . -15.168 . 0.194 0.227 -2.147 9 . 30529 WW7 C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . -34.621 . -8.039 . -15.292 . -0.805 -0.380 -2.947 10 . 30529 WW7 CL1 CL1 CL1 CL1 . CL . . N 0 . . . 0 no no . . . . -32.381 . -8.733 . -16.843 . -3.077 -0.310 -4.457 11 . 30529 WW7 C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -34.057 . -8.368 . -16.595 . -1.837 0.412 -3.480 12 . 30529 WW7 C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -34.912 . -8.395 . -17.767 . -1.860 1.750 -3.224 13 . 30529 WW7 C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . -36.335 . -8.087 . -17.659 . -0.873 2.347 -2.442 14 . 30529 WW7 C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -36.932 . -7.754 . -16.372 . 0.140 1.611 -1.910 15 . 30529 WW7 C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -37.766 . -4.724 . -12.016 . 1.130 -0.151 1.688 16 . 30529 WW7 C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -38.085 . -3.235 . -11.920 . 0.646 0.635 2.908 17 . 30529 WW7 C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -37.820 . -1.182 . -10.544 . -0.494 0.463 5.124 18 . 30529 WW7 C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -37.422 . -2.649 . -10.676 . -0.009 -0.322 3.904 19 . 30529 WW7 C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -37.166 . -0.582 . -9.303 . -1.150 -0.493 6.121 20 . 30529 WW7 C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -37.606 . 0.872 . -9.161 . -1.634 0.292 7.341 21 . 30529 WW7 N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -36.988 . 1.554 . -8.032 . -2.264 -0.627 8.297 22 . 30529 WW7 HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -39.385 . -4.996 . -13.202 . 1.748 1.721 0.901 23 . 30529 WW7 H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -32.727 . -8.264 . -14.212 . -1.505 -2.240 -3.793 24 . 30529 WW7 H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -33.733 . -7.761 . -11.926 . 0.308 -3.561 -2.844 25 . 30529 WW7 H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -36.205 . -7.224 . -11.716 . 2.047 -2.506 -1.465 26 . 30529 WW7 H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -34.489 . -8.664 . -18.720 . -2.653 2.356 -3.634 27 . 30529 WW7 H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -36.949 . -8.109 . -18.545 . -0.914 3.410 -2.255 28 . 30529 WW7 H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -37.985 . -7.545 . -16.342 . 0.898 2.088 -1.306 29 . 30529 WW7 H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . -38.147 . -5.229 . -11.139 . 1.856 -0.900 2.004 30 . 30529 WW7 H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . -36.695 . -4.860 . -12.073 . 0.282 -0.644 1.213 31 . 30529 WW7 H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . -37.714 . -2.729 . -12.798 . -0.079 1.384 2.592 32 . 30529 WW7 H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . -39.154 . -3.102 . -11.853 . 1.494 1.128 3.383 33 . 30529 WW7 H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . -38.894 . -1.108 . -10.456 . -1.220 1.213 4.809 34 . 30529 WW7 H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . -37.494 . -0.641 . -11.419 . 0.354 0.956 5.599 35 . 30529 WW7 H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . -37.751 . -3.191 . -9.802 . 0.716 -1.072 4.220 36 . 30529 WW7 H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . -36.350 . -2.726 . -10.767 . -0.858 -0.815 3.430 37 . 30529 WW7 H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . -37.470 . -1.139 . -8.427 . -0.424 -1.243 6.436 38 . 30529 WW7 H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . -36.091 . -0.627 . -9.404 . -1.998 -0.986 5.646 39 . 30529 WW7 H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . -38.677 . 0.912 . -9.022 . -2.360 1.042 7.025 40 . 30529 WW7 H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . -37.341 . 1.412 . -10.055 . -0.786 0.785 7.815 41 . 30529 WW7 HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . -37.137 . 1.040 . -7.172 . -2.567 -0.067 9.081 42 . 30529 WW7 HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . -35.990 . 1.634 . -8.177 . -3.099 -0.979 7.854 43 . 30529 WW7 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 S1 O1 no N 1 . 30529 WW7 2 . DOUB S1 O2 no N 2 . 30529 WW7 3 . SING S1 N1 no N 3 . 30529 WW7 4 . SING S1 C1 no N 4 . 30529 WW7 5 . SING N1 C11 no N 5 . 30529 WW7 6 . SING N1 HN1 no N 6 . 30529 WW7 7 . DOUB C4 C3 yes N 7 . 30529 WW7 8 . SING C4 C10 yes N 8 . 30529 WW7 9 . SING C4 H4 no N 9 . 30529 WW7 10 . SING C3 C2 yes N 10 . 30529 WW7 11 . SING C3 H3 no N 11 . 30529 WW7 12 . DOUB C2 C1 yes N 12 . 30529 WW7 13 . SING C2 H2 no N 13 . 30529 WW7 14 . SING C1 C9 yes N 14 . 30529 WW7 15 . DOUB C9 C10 yes N 15 . 30529 WW7 16 . SING C9 C8 yes N 16 . 30529 WW7 17 . SING C10 C5 yes N 17 . 30529 WW7 18 . SING CL1 C5 no N 18 . 30529 WW7 19 . DOUB C5 C6 yes N 19 . 30529 WW7 20 . SING C6 C7 yes N 20 . 30529 WW7 21 . SING C6 H6 no N 21 . 30529 WW7 22 . DOUB C7 C8 yes N 22 . 30529 WW7 23 . SING C7 H7 no N 23 . 30529 WW7 24 . SING C8 H8 no N 24 . 30529 WW7 25 . SING C11 C12 no N 25 . 30529 WW7 26 . SING C11 H111 no N 26 . 30529 WW7 27 . SING C11 H112 no N 27 . 30529 WW7 28 . SING C12 C13 no N 28 . 30529 WW7 29 . SING C12 H121 no N 29 . 30529 WW7 30 . SING C12 H122 no N 30 . 30529 WW7 31 . SING C14 C13 no N 31 . 30529 WW7 32 . SING C14 C15 no N 32 . 30529 WW7 33 . SING C14 H141 no N 33 . 30529 WW7 34 . SING C14 H142 no N 34 . 30529 WW7 35 . SING C13 H131 no N 35 . 30529 WW7 36 . SING C13 H132 no N 36 . 30529 WW7 37 . SING C15 C16 no N 37 . 30529 WW7 38 . SING C15 H151 no N 38 . 30529 WW7 39 . SING C15 H152 no N 39 . 30529 WW7 40 . SING C16 N2 no N 40 . 30529 WW7 41 . SING C16 H161 no N 41 . 30529 WW7 42 . SING C16 H162 no N 42 . 30529 WW7 43 . SING N2 HN21 no N 43 . 30529 WW7 44 . SING N2 HN22 no N 44 . 30529 WW7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30529 _Sample.ID 1 _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, 2.5 mM WW7, 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 . . . . 30529 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30529 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 30529 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30529 1 5 DSS '[U-99% 2H]' . . . . . . 0.25 . . mM . . . . 30529 1 6 WW7 'natural abundance' . . . . . . 2.5 . . mM . . . . 30529 1 7 DMSO '[U-99% 2H]' . . . . . . 1 . . % . . . . 30529 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30529 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] cChimera_protein, 100 mM potassium chloride, 10 mM imidazole, 10 mM calcium chloride, 0.25 mM [U-99% 2H] DSS, 2.5 mM WW7, 1 % [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-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30529 2 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30529 2 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 30529 2 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30529 2 5 DSS '[U-99% 2H]' . . . . . . 0.25 . . mM . . . . 30529 2 6 WW7 'natural abundance' . . . . . . 2.5 . . mM . . . . 30529 2 7 DMSO '[U-99% 2H]' . . . . . . 1 . . % . . . . 30529 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 30529 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 30529 1 pressure 1 . atm 30529 1 temperature 303 . K 30529 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30529 _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 . . 30529 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30529 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30529 _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' . . 30529 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30529 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30529 _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' . . 30529 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30529 3 'peak picking' 30529 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30529 _Software.ID 4 _Software.Type . _Software.Name ARIA2 _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" . . 30529 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30529 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30529 _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' . . 30529 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30529 5 'structure calculation' 30529 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 30529 _NMR_spectrometer.ID 1 _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 30529 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 30529 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 30529 _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 . . . . . . . . . . . . . . . . 30529 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30529 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30529 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30529 1 5 '2D TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30529 1 6 '2D 13C,15N-double-filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30529 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 30529 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.25144953 . . . . . 30529 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30529 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30529 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 30529 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 30529 1 2 '2D 1H-13C HSQC' . . . 30529 1 3 '3D 1H-15N NOESY' . . . 30529 1 4 '3D 1H-13C NOESY' . . . 30529 1 5 '2D TOCSY' . . . 30529 1 6 '2D 13C,15N-double-filtered NOESY' . . . 30529 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4.1100 0.0000 . 1 . . . . A 1 MET HA . 30529 1 2 . 1 1 1 1 MET HB2 H 1 2.1310 0.0000 . 2 . . . . A 1 MET HB2 . 30529 1 3 . 1 1 1 1 MET HB3 H 1 2.1310 0.0000 . 2 . . . . A 1 MET HB3 . 30529 1 4 . 1 1 1 1 MET HG2 H 1 2.6180 0.0000 . 2 . . . . A 1 MET HG2 . 30529 1 5 . 1 1 1 1 MET HG3 H 1 2.5450 0.0000 . 2 . . . . A 1 MET HG3 . 30529 1 6 . 1 1 1 1 MET HE1 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE1 . 30529 1 7 . 1 1 1 1 MET HE2 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE2 . 30529 1 8 . 1 1 1 1 MET HE3 H 1 2.0600 0.0000 . 1 . . . . A 1 MET HE3 . 30529 1 9 . 1 1 1 1 MET CA C 13 54.8300 0.0000 . 1 . . . . A 1 MET CA . 30529 1 10 . 1 1 1 1 MET CB C 13 33.3600 0.0000 . 1 . . . . A 1 MET CB . 30529 1 11 . 1 1 1 1 MET CG C 13 30.8000 0.0000 . 1 . . . . A 1 MET CG . 30529 1 12 . 1 1 1 1 MET CE C 13 16.7600 0.0000 . 1 . . . . A 1 MET CE . 30529 1 13 . 1 1 2 2 ASP HA H 1 4.6250 0.0000 . 1 . . . . A 2 ASP HA . 30529 1 14 . 1 1 2 2 ASP HB2 H 1 2.7000 0.0000 . 2 . . . . A 2 ASP HB2 . 30529 1 15 . 1 1 2 2 ASP HB3 H 1 2.6600 0.0000 . 2 . . . . A 2 ASP HB3 . 30529 1 16 . 1 1 2 2 ASP CA C 13 54.7000 0.0000 . 1 . . . . A 2 ASP CA . 30529 1 17 . 1 1 2 2 ASP CB C 13 41.7000 0.0000 . 1 . . . . A 2 ASP CB . 30529 1 18 . 1 1 3 3 ASP H H 1 8.5200 0.0000 . 1 . . . . A 3 ASP H . 30529 1 19 . 1 1 3 3 ASP HA H 1 4.4600 0.0000 . 1 . . . . A 3 ASP HA . 30529 1 20 . 1 1 3 3 ASP HB2 H 1 2.6500 0.0000 . 2 . . . . A 3 ASP HB2 . 30529 1 21 . 1 1 3 3 ASP HB3 H 1 2.7000 0.0000 . 2 . . . . A 3 ASP HB3 . 30529 1 22 . 1 1 3 3 ASP CA C 13 55.9200 0.0000 . 1 . . . . A 3 ASP CA . 30529 1 23 . 1 1 3 3 ASP CB C 13 41.1000 0.0000 . 1 . . . . A 3 ASP CB . 30529 1 24 . 1 1 3 3 ASP N N 15 122.5700 0.0000 . 1 . . . . A 3 ASP N . 30529 1 25 . 1 1 4 4 ILE H H 1 8.2120 0.0000 . 1 . . . . A 4 ILE H . 30529 1 26 . 1 1 4 4 ILE HA H 1 3.9100 0.0000 . 1 . . . . A 4 ILE HA . 30529 1 27 . 1 1 4 4 ILE HB H 1 1.6760 0.0000 . 1 . . . . A 4 ILE HB . 30529 1 28 . 1 1 4 4 ILE HG12 H 1 0.9650 0.0000 . 2 . . . . A 4 ILE HG12 . 30529 1 29 . 1 1 4 4 ILE HG13 H 1 0.9650 0.0000 . 2 . . . . A 4 ILE HG13 . 30529 1 30 . 1 1 4 4 ILE HG21 H 1 0.5840 0.0000 . 1 . . . . A 4 ILE HG21 . 30529 1 31 . 1 1 4 4 ILE HG22 H 1 0.5840 0.0000 . 1 . . . . A 4 ILE HG22 . 30529 1 32 . 1 1 4 4 ILE HG23 H 1 0.5840 0.0000 . 1 . . . . A 4 ILE HG23 . 30529 1 33 . 1 1 4 4 ILE HD11 H 1 0.6900 0.0000 . 1 . . . . A 4 ILE HD11 . 30529 1 34 . 1 1 4 4 ILE HD12 H 1 0.6900 0.0000 . 1 . . . . A 4 ILE HD12 . 30529 1 35 . 1 1 4 4 ILE HD13 H 1 0.6900 0.0000 . 1 . . . . A 4 ILE HD13 . 30529 1 36 . 1 1 4 4 ILE CA C 13 63.5000 0.0000 . 1 . . . . A 4 ILE CA . 30529 1 37 . 1 1 4 4 ILE CB C 13 37.7000 0.0000 . 1 . . . . A 4 ILE CB . 30529 1 38 . 1 1 4 4 ILE CG1 C 13 27.1400 0.0000 . 1 . . . . A 4 ILE CG1 . 30529 1 39 . 1 1 4 4 ILE CG2 C 13 17.1500 0.0000 . 1 . . . . A 4 ILE CG2 . 30529 1 40 . 1 1 4 4 ILE CD1 C 13 13.3500 0.0000 . 1 . . . . A 4 ILE CD1 . 30529 1 41 . 1 1 4 4 ILE N N 15 119.5600 0.0000 . 1 . . . . A 4 ILE N . 30529 1 42 . 1 1 5 5 TYR H H 1 7.6830 0.0000 . 1 . . . . A 5 TYR H . 30529 1 43 . 1 1 5 5 TYR HA H 1 4.4180 0.0000 . 1 . . . . A 5 TYR HA . 30529 1 44 . 1 1 5 5 TYR HB2 H 1 3.0800 0.0000 . 2 . . . . A 5 TYR HB2 . 30529 1 45 . 1 1 5 5 TYR HB3 H 1 2.9000 0.0000 . 2 . . . . A 5 TYR HB3 . 30529 1 46 . 1 1 5 5 TYR HD1 H 1 7.0480 0.0000 . 1 . . . . A 5 TYR HD1 . 30529 1 47 . 1 1 5 5 TYR HD2 H 1 7.0200 0.0000 . 3 . . . . A 5 TYR HD2 . 30529 1 48 . 1 1 5 5 TYR HE1 H 1 6.7900 0.0000 . 3 . . . . A 5 TYR HE1 . 30529 1 49 . 1 1 5 5 TYR CA C 13 59.7100 0.0000 . 1 . . . . A 5 TYR CA . 30529 1 50 . 1 1 5 5 TYR CB C 13 37.9000 0.0000 . 1 . . . . A 5 TYR CB . 30529 1 51 . 1 1 5 5 TYR CD1 C 13 132.5400 0.0000 . 1 . . . . A 5 TYR CD1 . 30529 1 52 . 1 1 5 5 TYR CE1 C 13 118.6300 0.0000 . 1 . . . . A 5 TYR CE1 . 30529 1 53 . 1 1 5 5 TYR N N 15 121.0000 0.0000 . 1 . . . . A 5 TYR N . 30529 1 54 . 1 1 6 6 LYS H H 1 7.9150 0.0000 . 1 . . . . A 6 LYS H . 30529 1 55 . 1 1 6 6 LYS HA H 1 3.9700 0.0000 . 1 . . . . A 6 LYS HA . 30529 1 56 . 1 1 6 6 LYS HB2 H 1 1.9800 0.0000 . 2 . . . . A 6 LYS HB2 . 30529 1 57 . 1 1 6 6 LYS HB3 H 1 1.9800 0.0000 . 2 . . . . A 6 LYS HB3 . 30529 1 58 . 1 1 6 6 LYS HG2 H 1 1.3600 0.0000 . 2 . . . . A 6 LYS HG2 . 30529 1 59 . 1 1 6 6 LYS HG3 H 1 1.6100 0.0000 . 2 . . . . A 6 LYS HG3 . 30529 1 60 . 1 1 6 6 LYS HD2 H 1 1.7100 0.0000 . 2 . . . . A 6 LYS HD2 . 30529 1 61 . 1 1 6 6 LYS HD3 H 1 1.7280 0.0000 . 1 . . . . A 6 LYS HD3 . 30529 1 62 . 1 1 6 6 LYS HE2 H 1 2.9900 0.0000 . 2 . . . . A 6 LYS HE2 . 30529 1 63 . 1 1 6 6 LYS HE3 H 1 2.9900 0.0000 . 2 . . . . A 6 LYS HE3 . 30529 1 64 . 1 1 6 6 LYS CA C 13 59.3000 0.0000 . 1 . . . . A 6 LYS CA . 30529 1 65 . 1 1 6 6 LYS CB C 13 32.3000 0.0000 . 1 . . . . A 6 LYS CB . 30529 1 66 . 1 1 6 6 LYS CG C 13 25.1000 0.0000 . 1 . . . . A 6 LYS CG . 30529 1 67 . 1 1 6 6 LYS CD C 13 29.2100 0.0000 . 1 . . . . A 6 LYS CD . 30529 1 68 . 1 1 6 6 LYS CE C 13 41.8500 0.0000 . 1 . . . . A 6 LYS CE . 30529 1 69 . 1 1 6 6 LYS N N 15 121.0000 0.0000 . 1 . . . . A 6 LYS N . 30529 1 70 . 1 1 7 7 ALA H H 1 7.9100 0.0000 . 1 . . . . A 7 ALA H . 30529 1 71 . 1 1 7 7 ALA HA H 1 4.1500 0.0000 . 1 . . . . A 7 ALA HA . 30529 1 72 . 1 1 7 7 ALA HB1 H 1 1.3950 0.0000 . 1 . . . . A 7 ALA HB1 . 30529 1 73 . 1 1 7 7 ALA HB2 H 1 1.3950 0.0000 . 1 . . . . A 7 ALA HB2 . 30529 1 74 . 1 1 7 7 ALA HB3 H 1 1.3950 0.0000 . 1 . . . . A 7 ALA HB3 . 30529 1 75 . 1 1 7 7 ALA CA C 13 54.4500 0.0000 . 1 . . . . A 7 ALA CA . 30529 1 76 . 1 1 7 7 ALA CB C 13 18.0200 0.0000 . 1 . . . . A 7 ALA CB . 30529 1 77 . 1 1 7 7 ALA N N 15 120.3000 0.0000 . 1 . . . . A 7 ALA N . 30529 1 78 . 1 1 8 8 ALA H H 1 7.5070 0.0000 . 1 . . . . A 8 ALA H . 30529 1 79 . 1 1 8 8 ALA HA H 1 4.1600 0.0000 . 1 . . . . A 8 ALA HA . 30529 1 80 . 1 1 8 8 ALA HB1 H 1 1.5100 0.0000 . 1 . . . . A 8 ALA HB1 . 30529 1 81 . 1 1 8 8 ALA HB2 H 1 1.5100 0.0000 . 1 . . . . A 8 ALA HB2 . 30529 1 82 . 1 1 8 8 ALA HB3 H 1 1.5100 0.0000 . 1 . . . . A 8 ALA HB3 . 30529 1 83 . 1 1 8 8 ALA CA C 13 54.5000 0.0000 . 1 . . . . A 8 ALA CA . 30529 1 84 . 1 1 8 8 ALA CB C 13 18.4000 0.0000 . 1 . . . . A 8 ALA CB . 30529 1 85 . 1 1 8 8 ALA N N 15 119.9250 0.0000 . 1 . . . . A 8 ALA N . 30529 1 86 . 1 1 9 9 VAL H H 1 8.0450 0.0000 . 1 . . . . A 9 VAL H . 30529 1 87 . 1 1 9 9 VAL HA H 1 3.6050 0.0000 . 1 . . . . A 9 VAL HA . 30529 1 88 . 1 1 9 9 VAL HB H 1 2.1700 0.0000 . 1 . . . . A 9 VAL HB . 30529 1 89 . 1 1 9 9 VAL HG11 H 1 0.9100 0.0000 . 1 . . . . A 9 VAL HG11 . 30529 1 90 . 1 1 9 9 VAL HG12 H 1 0.9100 0.0000 . 1 . . . . A 9 VAL HG12 . 30529 1 91 . 1 1 9 9 VAL HG13 H 1 0.9100 0.0000 . 1 . . . . A 9 VAL HG13 . 30529 1 92 . 1 1 9 9 VAL HG21 H 1 0.9600 0.0000 . 1 . . . . A 9 VAL HG21 . 30529 1 93 . 1 1 9 9 VAL HG22 H 1 0.9600 0.0000 . 1 . . . . A 9 VAL HG22 . 30529 1 94 . 1 1 9 9 VAL HG23 H 1 0.9600 0.0000 . 1 . . . . A 9 VAL HG23 . 30529 1 95 . 1 1 9 9 VAL CA C 13 65.8200 0.0000 . 1 . . . . A 9 VAL CA . 30529 1 96 . 1 1 9 9 VAL CB C 13 31.7000 0.0000 . 1 . . . . A 9 VAL CB . 30529 1 97 . 1 1 9 9 VAL CG1 C 13 21.9100 0.0000 . 1 . . . . A 9 VAL CG1 . 30529 1 98 . 1 1 9 9 VAL CG2 C 13 23.1600 0.0000 . 1 . . . . A 9 VAL CG2 . 30529 1 99 . 1 1 9 9 VAL N N 15 118.5000 0.0000 . 1 . . . . A 9 VAL N . 30529 1 100 . 1 1 10 10 GLU H H 1 7.8560 0.0000 . 1 . . . . A 10 GLU H . 30529 1 101 . 1 1 10 10 GLU HA H 1 4.1150 0.0000 . 1 . . . . A 10 GLU HA . 30529 1 102 . 1 1 10 10 GLU HB2 H 1 2.1300 0.0000 . 2 . . . . A 10 GLU HB2 . 30529 1 103 . 1 1 10 10 GLU HB3 H 1 2.1300 0.0000 . 2 . . . . A 10 GLU HB3 . 30529 1 104 . 1 1 10 10 GLU HG2 H 1 2.4400 0.0000 . 2 . . . . A 10 GLU HG2 . 30529 1 105 . 1 1 10 10 GLU HG3 H 1 2.3200 0.0000 . 2 . . . . A 10 GLU HG3 . 30529 1 106 . 1 1 10 10 GLU CA C 13 58.2000 0.0000 . 1 . . . . A 10 GLU CA . 30529 1 107 . 1 1 10 10 GLU CB C 13 29.4600 0.0000 . 1 . . . . A 10 GLU CB . 30529 1 108 . 1 1 10 10 GLU CG C 13 36.6000 0.0000 . 1 . . . . A 10 GLU CG . 30529 1 109 . 1 1 10 10 GLU N N 15 118.9100 0.0000 . 1 . . . . A 10 GLU N . 30529 1 110 . 1 1 11 11 GLN H H 1 7.3850 0.0000 . 1 . . . . A 11 GLN H . 30529 1 111 . 1 1 11 11 GLN HA H 1 4.2880 0.0000 . 1 . . . . A 11 GLN HA . 30529 1 112 . 1 1 11 11 GLN HB2 H 1 2.3100 0.0000 . 2 . . . . A 11 GLN HB2 . 30529 1 113 . 1 1 11 11 GLN HB3 H 1 2.0600 0.0000 . 2 . . . . A 11 GLN HB3 . 30529 1 114 . 1 1 11 11 GLN HG2 H 1 2.4800 0.0000 . 2 . . . . A 11 GLN HG2 . 30529 1 115 . 1 1 11 11 GLN HG3 H 1 2.4800 0.0000 . 2 . . . . A 11 GLN HG3 . 30529 1 116 . 1 1 11 11 GLN CA C 13 55.5600 0.0000 . 1 . . . . A 11 GLN CA . 30529 1 117 . 1 1 11 11 GLN CB C 13 29.2800 0.0000 . 1 . . . . A 11 GLN CB . 30529 1 118 . 1 1 11 11 GLN CG C 13 34.0800 0.0000 . 1 . . . . A 11 GLN CG . 30529 1 119 . 1 1 11 11 GLN N N 15 115.0400 0.0000 . 1 . . . . A 11 GLN N . 30529 1 120 . 1 1 12 12 LEU H H 1 7.3800 0.0000 . 1 . . . . A 12 LEU H . 30529 1 121 . 1 1 12 12 LEU HA H 1 4.5270 0.0000 . 1 . . . . A 12 LEU HA . 30529 1 122 . 1 1 12 12 LEU HB2 H 1 1.4500 0.0000 . 2 . . . . A 12 LEU HB2 . 30529 1 123 . 1 1 12 12 LEU HB3 H 1 1.9200 0.0000 . 2 . . . . A 12 LEU HB3 . 30529 1 124 . 1 1 12 12 LEU HG H 1 2.1200 0.0000 . 1 . . . . A 12 LEU HG . 30529 1 125 . 1 1 12 12 LEU HD11 H 1 0.9550 0.0000 . 1 . . . . A 12 LEU HD11 . 30529 1 126 . 1 1 12 12 LEU HD12 H 1 0.9550 0.0000 . 1 . . . . A 12 LEU HD12 . 30529 1 127 . 1 1 12 12 LEU HD13 H 1 0.9550 0.0000 . 1 . . . . A 12 LEU HD13 . 30529 1 128 . 1 1 12 12 LEU HD21 H 1 0.9050 0.0000 . 1 . . . . A 12 LEU HD21 . 30529 1 129 . 1 1 12 12 LEU HD22 H 1 0.9050 0.0000 . 1 . . . . A 12 LEU HD22 . 30529 1 130 . 1 1 12 12 LEU HD23 H 1 0.9050 0.0000 . 1 . . . . A 12 LEU HD23 . 30529 1 131 . 1 1 12 12 LEU CA C 13 54.8700 0.0000 . 1 . . . . A 12 LEU CA . 30529 1 132 . 1 1 12 12 LEU CB C 13 43.1000 0.0000 . 1 . . . . A 12 LEU CB . 30529 1 133 . 1 1 12 12 LEU CG C 13 26.4000 0.0000 . 1 . . . . A 12 LEU CG . 30529 1 134 . 1 1 12 12 LEU CD1 C 13 27.2000 0.0000 . 1 . . . . A 12 LEU CD1 . 30529 1 135 . 1 1 12 12 LEU CD2 C 13 23.2000 0.0000 . 1 . . . . A 12 LEU CD2 . 30529 1 136 . 1 1 12 12 LEU N N 15 120.6600 0.0000 . 1 . . . . A 12 LEU N . 30529 1 137 . 1 1 13 13 THR H H 1 8.8150 0.0000 . 1 . . . . A 13 THR H . 30529 1 138 . 1 1 13 13 THR HA H 1 4.4360 0.0000 . 1 . . . . A 13 THR HA . 30529 1 139 . 1 1 13 13 THR HB H 1 4.8100 0.0000 . 1 . . . . A 13 THR HB . 30529 1 140 . 1 1 13 13 THR HG21 H 1 1.3850 0.0000 . 1 . . . . A 13 THR HG21 . 30529 1 141 . 1 1 13 13 THR HG22 H 1 1.3850 0.0000 . 1 . . . . A 13 THR HG22 . 30529 1 142 . 1 1 13 13 THR HG23 H 1 1.3850 0.0000 . 1 . . . . A 13 THR HG23 . 30529 1 143 . 1 1 13 13 THR CA C 13 60.5500 0.0000 . 1 . . . . A 13 THR CA . 30529 1 144 . 1 1 13 13 THR CB C 13 70.8700 0.0000 . 1 . . . . A 13 THR CB . 30529 1 145 . 1 1 13 13 THR CG2 C 13 21.8800 0.0000 . 1 . . . . A 13 THR CG2 . 30529 1 146 . 1 1 13 13 THR N N 15 113.6400 0.0000 . 1 . . . . A 13 THR N . 30529 1 147 . 1 1 14 14 GLU H H 1 8.9800 0.0000 . 1 . . . . A 14 GLU H . 30529 1 148 . 1 1 14 14 GLU HA H 1 3.9700 0.0000 . 1 . . . . A 14 GLU HA . 30529 1 149 . 1 1 14 14 GLU HB2 H 1 2.0500 0.0000 . 2 . . . . A 14 GLU HB2 . 30529 1 150 . 1 1 14 14 GLU HB3 H 1 2.0500 0.0000 . 2 . . . . A 14 GLU HB3 . 30529 1 151 . 1 1 14 14 GLU HG2 H 1 2.3860 0.0000 . 2 . . . . A 14 GLU HG2 . 30529 1 152 . 1 1 14 14 GLU HG3 H 1 2.3470 0.0000 . 2 . . . . A 14 GLU HG3 . 30529 1 153 . 1 1 14 14 GLU CA C 13 59.8000 0.0000 . 1 . . . . A 14 GLU CA . 30529 1 154 . 1 1 14 14 GLU CB C 13 29.6000 0.0000 . 1 . . . . A 14 GLU CB . 30529 1 155 . 1 1 14 14 GLU CG C 13 36.1750 0.0000 . 1 . . . . A 14 GLU CG . 30529 1 156 . 1 1 14 14 GLU N N 15 121.8000 0.0000 . 1 . . . . A 14 GLU N . 30529 1 157 . 1 1 15 15 GLU H H 1 8.5450 0.0000 . 1 . . . . A 15 GLU H . 30529 1 158 . 1 1 15 15 GLU HA H 1 4.0500 0.0000 . 1 . . . . A 15 GLU HA . 30529 1 159 . 1 1 15 15 GLU HB2 H 1 1.9200 0.0000 . 2 . . . . A 15 GLU HB2 . 30529 1 160 . 1 1 15 15 GLU HB3 H 1 1.9200 0.0000 . 2 . . . . A 15 GLU HB3 . 30529 1 161 . 1 1 15 15 GLU HG2 H 1 2.3000 0.0000 . 2 . . . . A 15 GLU HG2 . 30529 1 162 . 1 1 15 15 GLU HG3 H 1 2.3000 0.0000 . 2 . . . . A 15 GLU HG3 . 30529 1 163 . 1 1 15 15 GLU CA C 13 60.0000 0.0000 . 1 . . . . A 15 GLU CA . 30529 1 164 . 1 1 15 15 GLU CB C 13 29.1600 0.0000 . 1 . . . . A 15 GLU CB . 30529 1 165 . 1 1 15 15 GLU CG C 13 36.8000 0.0000 . 1 . . . . A 15 GLU CG . 30529 1 166 . 1 1 15 15 GLU N N 15 117.7000 0.0000 . 1 . . . . A 15 GLU N . 30529 1 167 . 1 1 16 16 GLN H H 1 7.7950 0.0000 . 1 . . . . A 16 GLN H . 30529 1 168 . 1 1 16 16 GLN HA H 1 3.8660 0.0000 . 1 . . . . A 16 GLN HA . 30529 1 169 . 1 1 16 16 GLN HB2 H 1 2.3500 0.0000 . 2 . . . . A 16 GLN HB2 . 30529 1 170 . 1 1 16 16 GLN HB3 H 1 1.6600 0.0000 . 2 . . . . A 16 GLN HB3 . 30529 1 171 . 1 1 16 16 GLN HG2 H 1 2.3400 0.0000 . 2 . . . . A 16 GLN HG2 . 30529 1 172 . 1 1 16 16 GLN HG3 H 1 2.2400 0.0000 . 2 . . . . A 16 GLN HG3 . 30529 1 173 . 1 1 16 16 GLN CA C 13 58.6000 0.0000 . 1 . . . . A 16 GLN CA . 30529 1 174 . 1 1 16 16 GLN CB C 13 29.6000 0.0000 . 1 . . . . A 16 GLN CB . 30529 1 175 . 1 1 16 16 GLN CG C 13 34.8600 0.0000 . 1 . . . . A 16 GLN CG . 30529 1 176 . 1 1 16 16 GLN N N 15 119.2500 0.0000 . 1 . . . . A 16 GLN N . 30529 1 177 . 1 1 17 17 LYS H H 1 8.5060 0.0000 . 1 . . . . A 17 LYS H . 30529 1 178 . 1 1 17 17 LYS HA H 1 3.9830 0.0000 . 1 . . . . A 17 LYS HA . 30529 1 179 . 1 1 17 17 LYS HB2 H 1 2.0000 0.0000 . 2 . . . . A 17 LYS HB2 . 30529 1 180 . 1 1 17 17 LYS HB3 H 1 2.0000 0.0000 . 2 . . . . A 17 LYS HB3 . 30529 1 181 . 1 1 17 17 LYS HG2 H 1 1.4700 0.0000 . 2 . . . . A 17 LYS HG2 . 30529 1 182 . 1 1 17 17 LYS HG3 H 1 1.7100 0.0000 . 2 . . . . A 17 LYS HG3 . 30529 1 183 . 1 1 17 17 LYS HD2 H 1 2.9600 0.0000 . 2 . . . . A 17 LYS HD2 . 30529 1 184 . 1 1 17 17 LYS HD3 H 1 2.8700 0.0000 . 2 . . . . A 17 LYS HD3 . 30529 1 185 . 1 1 17 17 LYS HE2 H 1 1.7600 0.0000 . 2 . . . . A 17 LYS HE2 . 30529 1 186 . 1 1 17 17 LYS HE3 H 1 1.7600 0.0000 . 2 . . . . A 17 LYS HE3 . 30529 1 187 . 1 1 17 17 LYS CA C 13 61.4800 0.0000 . 1 . . . . A 17 LYS CA . 30529 1 188 . 1 1 17 17 LYS CB C 13 32.1700 0.0000 . 1 . . . . A 17 LYS CB . 30529 1 189 . 1 1 17 17 LYS CG C 13 27.1100 0.0000 . 1 . . . . A 17 LYS CG . 30529 1 190 . 1 1 17 17 LYS CD C 13 41.8200 0.0000 . 1 . . . . A 17 LYS CD . 30529 1 191 . 1 1 17 17 LYS CE C 13 41.7000 0.0000 . 1 . . . . A 17 LYS CE . 30529 1 192 . 1 1 17 17 LYS N N 15 118.9100 0.0000 . 1 . . . . A 17 LYS N . 30529 1 193 . 1 1 18 18 ASN H H 1 8.5200 0.0000 . 1 . . . . A 18 ASN H . 30529 1 194 . 1 1 18 18 ASN HA H 1 4.5500 0.0000 . 1 . . . . A 18 ASN HA . 30529 1 195 . 1 1 18 18 ASN HB2 H 1 2.8000 0.0000 . 2 . . . . A 18 ASN HB2 . 30529 1 196 . 1 1 18 18 ASN HB3 H 1 2.9900 0.0000 . 2 . . . . A 18 ASN HB3 . 30529 1 197 . 1 1 18 18 ASN CA C 13 55.7800 0.0000 . 1 . . . . A 18 ASN CA . 30529 1 198 . 1 1 18 18 ASN CB C 13 37.7200 0.0000 . 1 . . . . A 18 ASN CB . 30529 1 199 . 1 1 18 18 ASN N N 15 117.6000 0.0000 . 1 . . . . A 18 ASN N . 30529 1 200 . 1 1 19 19 GLU H H 1 8.0200 0.0000 . 1 . . . . A 19 GLU H . 30529 1 201 . 1 1 19 19 GLU HA H 1 4.1700 0.0000 . 1 . . . . A 19 GLU HA . 30529 1 202 . 1 1 19 19 GLU HB2 H 1 1.9200 0.0000 . 2 . . . . A 19 GLU HB2 . 30529 1 203 . 1 1 19 19 GLU HB3 H 1 2.0500 0.0000 . 2 . . . . A 19 GLU HB3 . 30529 1 204 . 1 1 19 19 GLU HG2 H 1 2.1870 0.0000 . 2 . . . . A 19 GLU HG2 . 30529 1 205 . 1 1 19 19 GLU HG3 H 1 2.3800 0.0000 . 2 . . . . A 19 GLU HG3 . 30529 1 206 . 1 1 19 19 GLU CA C 13 59.5000 0.0000 . 1 . . . . A 19 GLU CA . 30529 1 207 . 1 1 19 19 GLU CB C 13 29.3200 0.0000 . 1 . . . . A 19 GLU CB . 30529 1 208 . 1 1 19 19 GLU CG C 13 36.6200 0.0000 . 1 . . . . A 19 GLU CG . 30529 1 209 . 1 1 19 19 GLU N N 15 123.4000 0.0000 . 1 . . . . A 19 GLU N . 30529 1 210 . 1 1 20 20 PHE H H 1 8.3400 0.0000 . 1 . . . . A 20 PHE H . 30529 1 211 . 1 1 20 20 PHE HA H 1 4.9000 0.0000 . 1 . . . . A 20 PHE HA . 30529 1 212 . 1 1 20 20 PHE HB2 H 1 3.4600 0.0000 . 2 . . . . A 20 PHE HB2 . 30529 1 213 . 1 1 20 20 PHE HB3 H 1 3.4600 0.0000 . 2 . . . . A 20 PHE HB3 . 30529 1 214 . 1 1 20 20 PHE HD1 H 1 7.2050 0.0000 . 3 . . . . A 20 PHE HD1 . 30529 1 215 . 1 1 20 20 PHE HE1 H 1 7.1870 0.0000 . 3 . . . . A 20 PHE HE1 . 30529 1 216 . 1 1 20 20 PHE CA C 13 59.7400 0.0000 . 1 . . . . A 20 PHE CA . 30529 1 217 . 1 1 20 20 PHE CB C 13 37.9500 0.0000 . 1 . . . . A 20 PHE CB . 30529 1 218 . 1 1 20 20 PHE CD1 C 13 130.8120 0.0000 . 3 . . . . A 20 PHE CD1 . 30529 1 219 . 1 1 20 20 PHE CE1 C 13 130.8200 0.0000 . 3 . . . . A 20 PHE CE1 . 30529 1 220 . 1 1 20 20 PHE N N 15 117.6500 0.0000 . 1 . . . . A 20 PHE N . 30529 1 221 . 1 1 21 21 LYS H H 1 8.8550 0.0000 . 1 . . . . A 21 LYS H . 30529 1 222 . 1 1 21 21 LYS HA H 1 4.0110 0.0000 . 1 . . . . A 21 LYS HA . 30529 1 223 . 1 1 21 21 LYS HB2 H 1 2.0500 0.0000 . 2 . . . . A 21 LYS HB2 . 30529 1 224 . 1 1 21 21 LYS HB3 H 1 1.7700 0.0000 . 2 . . . . A 21 LYS HB3 . 30529 1 225 . 1 1 21 21 LYS HG2 H 1 1.1800 0.0000 . 2 . . . . A 21 LYS HG2 . 30529 1 226 . 1 1 21 21 LYS HG3 H 1 1.1800 0.0000 . 2 . . . . A 21 LYS HG3 . 30529 1 227 . 1 1 21 21 LYS HD2 H 1 1.4700 0.0000 . 2 . . . . A 21 LYS HD2 . 30529 1 228 . 1 1 21 21 LYS HD3 H 1 0.4600 0.0000 . 2 . . . . A 21 LYS HD3 . 30529 1 229 . 1 1 21 21 LYS HE2 H 1 2.7100 0.0000 . 2 . . . . A 21 LYS HE2 . 30529 1 230 . 1 1 21 21 LYS HE3 H 1 2.6500 0.0000 . 2 . . . . A 21 LYS HE3 . 30529 1 231 . 1 1 21 21 LYS CA C 13 58.6000 0.0000 . 1 . . . . A 21 LYS CA . 30529 1 232 . 1 1 21 21 LYS CB C 13 31.7000 0.0000 . 1 . . . . A 21 LYS CB . 30529 1 233 . 1 1 21 21 LYS CG C 13 24.3000 0.0000 . 1 . . . . A 21 LYS CG . 30529 1 234 . 1 1 21 21 LYS CD C 13 27.0000 0.0000 . 1 . . . . A 21 LYS CD . 30529 1 235 . 1 1 21 21 LYS CE C 13 41.9500 0.0000 . 1 . . . . A 21 LYS CE . 30529 1 236 . 1 1 21 21 LYS N N 15 122.2000 0.0000 . 1 . . . . A 21 LYS N . 30529 1 237 . 1 1 22 22 ALA H H 1 7.9000 0.0000 . 1 . . . . A 22 ALA H . 30529 1 238 . 1 1 22 22 ALA HA H 1 4.1900 0.0000 . 1 . . . . A 22 ALA HA . 30529 1 239 . 1 1 22 22 ALA HB1 H 1 1.5400 0.0000 . 1 . . . . A 22 ALA HB1 . 30529 1 240 . 1 1 22 22 ALA HB2 H 1 1.5400 0.0000 . 1 . . . . A 22 ALA HB2 . 30529 1 241 . 1 1 22 22 ALA HB3 H 1 1.5400 0.0000 . 1 . . . . A 22 ALA HB3 . 30529 1 242 . 1 1 22 22 ALA CA C 13 54.8800 0.0000 . 1 . . . . A 22 ALA CA . 30529 1 243 . 1 1 22 22 ALA CB C 13 17.7000 0.0000 . 1 . . . . A 22 ALA CB . 30529 1 244 . 1 1 22 22 ALA N N 15 121.3400 0.0000 . 1 . . . . A 22 ALA N . 30529 1 245 . 1 1 23 23 ALA H H 1 7.9350 0.0000 . 1 . . . . A 23 ALA H . 30529 1 246 . 1 1 23 23 ALA HA H 1 4.0900 0.0000 . 1 . . . . A 23 ALA HA . 30529 1 247 . 1 1 23 23 ALA HB1 H 1 1.8300 0.0000 . 1 . . . . A 23 ALA HB1 . 30529 1 248 . 1 1 23 23 ALA HB2 H 1 1.8300 0.0000 . 1 . . . . A 23 ALA HB2 . 30529 1 249 . 1 1 23 23 ALA HB3 H 1 1.8300 0.0000 . 1 . . . . A 23 ALA HB3 . 30529 1 250 . 1 1 23 23 ALA CA C 13 55.1000 0.0000 . 1 . . . . A 23 ALA CA . 30529 1 251 . 1 1 23 23 ALA CB C 13 18.8100 0.0000 . 1 . . . . A 23 ALA CB . 30529 1 252 . 1 1 23 23 ALA N N 15 119.0300 0.0000 . 1 . . . . A 23 ALA N . 30529 1 253 . 1 1 24 24 PHE H H 1 8.7500 0.0000 . 1 . . . . A 24 PHE H . 30529 1 254 . 1 1 24 24 PHE HA H 1 3.4550 0.0000 . 1 . . . . A 24 PHE HA . 30529 1 255 . 1 1 24 24 PHE HB2 H 1 3.1600 0.0000 . 2 . . . . A 24 PHE HB2 . 30529 1 256 . 1 1 24 24 PHE HB3 H 1 2.8000 0.0000 . 2 . . . . A 24 PHE HB3 . 30529 1 257 . 1 1 24 24 PHE HD1 H 1 7.1600 0.0000 . 3 . . . . A 24 PHE HD1 . 30529 1 258 . 1 1 24 24 PHE HE1 H 1 7.5600 0.0000 . 3 . . . . A 24 PHE HE1 . 30529 1 259 . 1 1 24 24 PHE CA C 13 62.3500 0.0000 . 1 . . . . A 24 PHE CA . 30529 1 260 . 1 1 24 24 PHE CB C 13 39.8000 0.0000 . 1 . . . . A 24 PHE CB . 30529 1 261 . 1 1 24 24 PHE CD1 C 13 131.5700 0.0000 . 1 . . . . A 24 PHE CD1 . 30529 1 262 . 1 1 24 24 PHE CE1 C 13 130.4700 0.0000 . 1 . . . . A 24 PHE CE1 . 30529 1 263 . 1 1 24 24 PHE N N 15 120.8000 0.0000 . 1 . . . . A 24 PHE N . 30529 1 264 . 1 1 25 25 ASP H H 1 8.6600 0.0000 . 1 . . . . A 25 ASP H . 30529 1 265 . 1 1 25 25 ASP HA H 1 4.2600 0.0000 . 1 . . . . A 25 ASP HA . 30529 1 266 . 1 1 25 25 ASP HB2 H 1 2.4950 0.0000 . 2 . . . . A 25 ASP HB2 . 30529 1 267 . 1 1 25 25 ASP HB3 H 1 2.7770 0.0000 . 2 . . . . A 25 ASP HB3 . 30529 1 268 . 1 1 25 25 ASP CA C 13 56.8000 0.0000 . 1 . . . . A 25 ASP CA . 30529 1 269 . 1 1 25 25 ASP CB C 13 39.9500 0.0000 . 1 . . . . A 25 ASP CB . 30529 1 270 . 1 1 25 25 ASP N N 15 116.9000 0.0000 . 1 . . . . A 25 ASP N . 30529 1 271 . 1 1 26 26 ILE H H 1 7.2850 0.0000 . 1 . . . . A 26 ILE H . 30529 1 272 . 1 1 26 26 ILE HA H 1 3.7600 0.0000 . 1 . . . . A 26 ILE HA . 30529 1 273 . 1 1 26 26 ILE HB H 1 2.0100 0.0000 . 1 . . . . A 26 ILE HB . 30529 1 274 . 1 1 26 26 ILE HG12 H 1 1.2130 0.0000 . 2 . . . . A 26 ILE HG12 . 30529 1 275 . 1 1 26 26 ILE HG13 H 1 1.7100 0.0000 . 2 . . . . A 26 ILE HG13 . 30529 1 276 . 1 1 26 26 ILE HG21 H 1 0.7770 0.0000 . 1 . . . . A 26 ILE HG21 . 30529 1 277 . 1 1 26 26 ILE HG22 H 1 0.7770 0.0000 . 1 . . . . A 26 ILE HG22 . 30529 1 278 . 1 1 26 26 ILE HG23 H 1 0.7770 0.0000 . 1 . . . . A 26 ILE HG23 . 30529 1 279 . 1 1 26 26 ILE HD11 H 1 0.7930 0.0000 . 1 . . . . A 26 ILE HD11 . 30529 1 280 . 1 1 26 26 ILE HD12 H 1 0.7930 0.0000 . 1 . . . . A 26 ILE HD12 . 30529 1 281 . 1 1 26 26 ILE HD13 H 1 0.7930 0.0000 . 1 . . . . A 26 ILE HD13 . 30529 1 282 . 1 1 26 26 ILE CA C 13 63.7200 0.0000 . 1 . . . . A 26 ILE CA . 30529 1 283 . 1 1 26 26 ILE CB C 13 37.5500 0.0000 . 1 . . . . A 26 ILE CB . 30529 1 284 . 1 1 26 26 ILE CG1 C 13 28.7000 0.0000 . 1 . . . . A 26 ILE CG1 . 30529 1 285 . 1 1 26 26 ILE CG2 C 13 17.5700 0.0000 . 1 . . . . A 26 ILE CG2 . 30529 1 286 . 1 1 26 26 ILE CD1 C 13 13.0000 0.0000 . 1 . . . . A 26 ILE CD1 . 30529 1 287 . 1 1 26 26 ILE N N 15 119.3000 0.0000 . 1 . . . . A 26 ILE N . 30529 1 288 . 1 1 27 27 PHE H H 1 8.0100 0.0000 . 1 . . . . A 27 PHE H . 30529 1 289 . 1 1 27 27 PHE HA H 1 4.0500 0.0000 . 1 . . . . A 27 PHE HA . 30529 1 290 . 1 1 27 27 PHE HB2 H 1 3.1400 0.0000 . 2 . . . . A 27 PHE HB2 . 30529 1 291 . 1 1 27 27 PHE HB3 H 1 2.8000 0.0000 . 2 . . . . A 27 PHE HB3 . 30529 1 292 . 1 1 27 27 PHE HD1 H 1 7.2500 0.0000 . 3 . . . . A 27 PHE HD1 . 30529 1 293 . 1 1 27 27 PHE HE1 H 1 7.3300 0.0000 . 3 . . . . A 27 PHE HE1 . 30529 1 294 . 1 1 27 27 PHE HZ H 1 7.1700 0.0000 . 1 . . . . A 27 PHE HZ . 30529 1 295 . 1 1 27 27 PHE CA C 13 60.1200 0.0000 . 1 . . . . A 27 PHE CA . 30529 1 296 . 1 1 27 27 PHE CB C 13 40.2200 0.0000 . 1 . . . . A 27 PHE CB . 30529 1 297 . 1 1 27 27 PHE CD1 C 13 131.6000 0.0000 . 1 . . . . A 27 PHE CD1 . 30529 1 298 . 1 1 27 27 PHE CE1 C 13 131.0500 0.0000 . 1 . . . . A 27 PHE CE1 . 30529 1 299 . 1 1 27 27 PHE CZ C 13 128.4000 0.0000 . 1 . . . . A 27 PHE CZ . 30529 1 300 . 1 1 27 27 PHE N N 15 121.4000 0.0000 . 1 . . . . A 27 PHE N . 30529 1 301 . 1 1 28 28 VAL H H 1 7.4750 0.0000 . 1 . . . . A 28 VAL H . 30529 1 302 . 1 1 28 28 VAL HA H 1 4.0450 0.0000 . 1 . . . . A 28 VAL HA . 30529 1 303 . 1 1 28 28 VAL HB H 1 1.9800 0.0000 . 1 . . . . A 28 VAL HB . 30529 1 304 . 1 1 28 28 VAL HG11 H 1 0.0800 0.0000 . 1 . . . . A 28 VAL HG11 . 30529 1 305 . 1 1 28 28 VAL HG12 H 1 0.0800 0.0000 . 1 . . . . A 28 VAL HG12 . 30529 1 306 . 1 1 28 28 VAL HG13 H 1 0.0800 0.0000 . 1 . . . . A 28 VAL HG13 . 30529 1 307 . 1 1 28 28 VAL HG21 H 1 0.6290 0.0000 . 1 . . . . A 28 VAL HG21 . 30529 1 308 . 1 1 28 28 VAL HG22 H 1 0.6290 0.0000 . 1 . . . . A 28 VAL HG22 . 30529 1 309 . 1 1 28 28 VAL HG23 H 1 0.6290 0.0000 . 1 . . . . A 28 VAL HG23 . 30529 1 310 . 1 1 28 28 VAL CA C 13 61.2000 0.0000 . 1 . . . . A 28 VAL CA . 30529 1 311 . 1 1 28 28 VAL CB C 13 31.4500 0.0000 . 1 . . . . A 28 VAL CB . 30529 1 312 . 1 1 28 28 VAL CG1 C 13 21.7000 0.0000 . 1 . . . . A 28 VAL CG1 . 30529 1 313 . 1 1 28 28 VAL CG2 C 13 18.8600 0.0000 . 1 . . . . A 28 VAL CG2 . 30529 1 314 . 1 1 28 28 VAL N N 15 106.3000 0.0000 . 1 . . . . A 28 VAL N . 30529 1 315 . 1 1 29 29 LEU H H 1 7.2340 0.0000 . 1 . . . . A 29 LEU H . 30529 1 316 . 1 1 29 29 LEU HA H 1 4.0800 0.0000 . 1 . . . . A 29 LEU HA . 30529 1 317 . 1 1 29 29 LEU HB2 H 1 1.5900 0.0000 . 2 . . . . A 29 LEU HB2 . 30529 1 318 . 1 1 29 29 LEU HB3 H 1 1.7730 0.0000 . 2 . . . . A 29 LEU HB3 . 30529 1 319 . 1 1 29 29 LEU HG H 1 1.8000 0.0000 . 1 . . . . A 29 LEU HG . 30529 1 320 . 1 1 29 29 LEU HD11 H 1 0.9300 0.0000 . 1 . . . . A 29 LEU HD11 . 30529 1 321 . 1 1 29 29 LEU HD12 H 1 0.9300 0.0000 . 1 . . . . A 29 LEU HD12 . 30529 1 322 . 1 1 29 29 LEU HD13 H 1 0.9300 0.0000 . 1 . . . . A 29 LEU HD13 . 30529 1 323 . 1 1 29 29 LEU HD21 H 1 0.8730 0.0000 . 1 . . . . A 29 LEU HD21 . 30529 1 324 . 1 1 29 29 LEU HD22 H 1 0.8730 0.0000 . 1 . . . . A 29 LEU HD22 . 30529 1 325 . 1 1 29 29 LEU HD23 H 1 0.8730 0.0000 . 1 . . . . A 29 LEU HD23 . 30529 1 326 . 1 1 29 29 LEU CA C 13 57.1700 0.0000 . 1 . . . . A 29 LEU CA . 30529 1 327 . 1 1 29 29 LEU CB C 13 41.3100 0.0000 . 1 . . . . A 29 LEU CB . 30529 1 328 . 1 1 29 29 LEU CG C 13 26.4700 0.0000 . 1 . . . . A 29 LEU CG . 30529 1 329 . 1 1 29 29 LEU CD1 C 13 24.9000 0.0000 . 1 . . . . A 29 LEU CD1 . 30529 1 330 . 1 1 29 29 LEU CD2 C 13 24.2300 0.0000 . 1 . . . . A 29 LEU CD2 . 30529 1 331 . 1 1 29 29 LEU N N 15 125.5300 0.0000 . 1 . . . . A 29 LEU N . 30529 1 332 . 1 1 30 30 GLY H H 1 8.8700 0.0000 . 1 . . . . A 30 GLY H . 30529 1 333 . 1 1 30 30 GLY HA2 H 1 3.7400 0.0000 . 2 . . . . A 30 GLY HA2 . 30529 1 334 . 1 1 30 30 GLY HA3 H 1 4.0950 0.0000 . 2 . . . . A 30 GLY HA3 . 30529 1 335 . 1 1 30 30 GLY CA C 13 45.2670 0.0000 . 1 . . . . A 30 GLY CA . 30529 1 336 . 1 1 30 30 GLY N N 15 112.6000 0.0000 . 1 . . . . A 30 GLY N . 30529 1 337 . 1 1 31 31 ALA H H 1 8.0300 0.0000 . 1 . . . . A 31 ALA H . 30529 1 338 . 1 1 31 31 ALA HA H 1 4.4400 0.0000 . 1 . . . . A 31 ALA HA . 30529 1 339 . 1 1 31 31 ALA HB1 H 1 1.5100 0.0000 . 1 . . . . A 31 ALA HB1 . 30529 1 340 . 1 1 31 31 ALA HB2 H 1 1.5100 0.0000 . 1 . . . . A 31 ALA HB2 . 30529 1 341 . 1 1 31 31 ALA HB3 H 1 1.5100 0.0000 . 1 . . . . A 31 ALA HB3 . 30529 1 342 . 1 1 31 31 ALA CA C 13 52.0400 0.0000 . 1 . . . . A 31 ALA CA . 30529 1 343 . 1 1 31 31 ALA CB C 13 19.7000 0.0000 . 1 . . . . A 31 ALA CB . 30529 1 344 . 1 1 31 31 ALA N N 15 124.1600 0.0000 . 1 . . . . A 31 ALA N . 30529 1 345 . 1 1 32 32 GLU H H 1 9.1400 0.0000 . 1 . . . . A 32 GLU H . 30529 1 346 . 1 1 32 32 GLU HA H 1 4.0700 0.0000 . 1 . . . . A 32 GLU HA . 30529 1 347 . 1 1 32 32 GLU HB2 H 1 2.0310 0.0000 . 2 . . . . A 32 GLU HB2 . 30529 1 348 . 1 1 32 32 GLU HB3 H 1 2.0310 0.0000 . 2 . . . . A 32 GLU HB3 . 30529 1 349 . 1 1 32 32 GLU HG2 H 1 2.3100 0.0000 . 2 . . . . A 32 GLU HG2 . 30529 1 350 . 1 1 32 32 GLU HG3 H 1 2.3100 0.0000 . 2 . . . . A 32 GLU HG3 . 30529 1 351 . 1 1 32 32 GLU CA C 13 58.8700 0.0000 . 1 . . . . A 32 GLU CA . 30529 1 352 . 1 1 32 32 GLU CB C 13 29.7540 0.0000 . 1 . . . . A 32 GLU CB . 30529 1 353 . 1 1 32 32 GLU CG C 13 36.5300 0.0000 . 1 . . . . A 32 GLU CG . 30529 1 354 . 1 1 32 32 GLU N N 15 124.8000 0.0000 . 1 . . . . A 32 GLU N . 30529 1 355 . 1 1 33 33 ASP H H 1 8.1600 0.0000 . 1 . . . . A 33 ASP H . 30529 1 356 . 1 1 33 33 ASP HA H 1 4.7400 0.0000 . 1 . . . . A 33 ASP HA . 30529 1 357 . 1 1 33 33 ASP HB2 H 1 2.6200 0.0000 . 2 . . . . A 33 ASP HB2 . 30529 1 358 . 1 1 33 33 ASP HB3 H 1 2.9300 0.0000 . 2 . . . . A 33 ASP HB3 . 30529 1 359 . 1 1 33 33 ASP CA C 13 52.9900 0.0000 . 1 . . . . A 33 ASP CA . 30529 1 360 . 1 1 33 33 ASP CB C 13 41.2200 0.0000 . 1 . . . . A 33 ASP CB . 30529 1 361 . 1 1 33 33 ASP N N 15 115.9000 0.0000 . 1 . . . . A 33 ASP N . 30529 1 362 . 1 1 34 34 GLY H H 1 7.6130 0.0000 . 1 . . . . A 34 GLY H . 30529 1 363 . 1 1 34 34 GLY HA2 H 1 3.9700 0.0000 . 2 . . . . A 34 GLY HA2 . 30529 1 364 . 1 1 34 34 GLY HA3 H 1 3.9170 0.0000 . 2 . . . . A 34 GLY HA3 . 30529 1 365 . 1 1 34 34 GLY CA C 13 46.4400 0.0000 . 1 . . . . A 34 GLY CA . 30529 1 366 . 1 1 34 34 GLY N N 15 105.6400 0.0000 . 1 . . . . A 34 GLY N . 30529 1 367 . 1 1 35 35 SER H H 1 7.6160 0.0000 . 1 . . . . A 35 SER H . 30529 1 368 . 1 1 35 35 SER HA H 1 4.9750 0.0000 . 1 . . . . A 35 SER HA . 30529 1 369 . 1 1 35 35 SER HB2 H 1 3.5000 0.0000 . 2 . . . . A 35 SER HB2 . 30529 1 370 . 1 1 35 35 SER HB3 H 1 3.6500 0.0000 . 2 . . . . A 35 SER HB3 . 30529 1 371 . 1 1 35 35 SER CA C 13 57.2000 0.0000 . 1 . . . . A 35 SER CA . 30529 1 372 . 1 1 35 35 SER CB C 13 66.0000 0.0000 . 1 . . . . A 35 SER CB . 30529 1 373 . 1 1 35 35 SER N N 15 113.3500 0.0000 . 1 . . . . A 35 SER N . 30529 1 374 . 1 1 36 36 ILE H H 1 8.8850 0.0000 . 1 . . . . A 36 ILE H . 30529 1 375 . 1 1 36 36 ILE HA H 1 3.8300 0.0000 . 1 . . . . A 36 ILE HA . 30529 1 376 . 1 1 36 36 ILE HB H 1 2.0000 0.0000 . 1 . . . . A 36 ILE HB . 30529 1 377 . 1 1 36 36 ILE HG12 H 1 0.2500 0.0000 . 2 . . . . A 36 ILE HG12 . 30529 1 378 . 1 1 36 36 ILE HG13 H 1 1.4800 0.0000 . 2 . . . . A 36 ILE HG13 . 30529 1 379 . 1 1 36 36 ILE HG21 H 1 0.8730 0.0000 . 1 . . . . A 36 ILE HG21 . 30529 1 380 . 1 1 36 36 ILE HG22 H 1 0.8730 0.0000 . 1 . . . . A 36 ILE HG22 . 30529 1 381 . 1 1 36 36 ILE HG23 H 1 0.8730 0.0000 . 1 . . . . A 36 ILE HG23 . 30529 1 382 . 1 1 36 36 ILE HD11 H 1 0.3700 0.0000 . 1 . . . . A 36 ILE HD11 . 30529 1 383 . 1 1 36 36 ILE HD12 H 1 0.3700 0.0000 . 1 . . . . A 36 ILE HD12 . 30529 1 384 . 1 1 36 36 ILE HD13 H 1 0.3700 0.0000 . 1 . . . . A 36 ILE HD13 . 30529 1 385 . 1 1 36 36 ILE CA C 13 62.6800 0.0000 . 1 . . . . A 36 ILE CA . 30529 1 386 . 1 1 36 36 ILE CB C 13 39.5200 0.0000 . 1 . . . . A 36 ILE CB . 30529 1 387 . 1 1 36 36 ILE CG1 C 13 28.5200 0.0000 . 1 . . . . A 36 ILE CG1 . 30529 1 388 . 1 1 36 36 ILE CG2 C 13 18.0000 0.0000 . 1 . . . . A 36 ILE CG2 . 30529 1 389 . 1 1 36 36 ILE CD1 C 13 14.9200 0.0000 . 1 . . . . A 36 ILE CD1 . 30529 1 390 . 1 1 36 36 ILE N N 15 119.4400 0.0000 . 1 . . . . A 36 ILE N . 30529 1 391 . 1 1 37 37 SER H H 1 9.5500 0.0000 . 1 . . . . A 37 SER H . 30529 1 392 . 1 1 37 37 SER HA H 1 5.1560 0.0000 . 1 . . . . A 37 SER HA . 30529 1 393 . 1 1 37 37 SER HB2 H 1 4.2200 0.0000 . 2 . . . . A 37 SER HB2 . 30529 1 394 . 1 1 37 37 SER HB3 H 1 4.5600 0.0000 . 2 . . . . A 37 SER HB3 . 30529 1 395 . 1 1 37 37 SER CA C 13 56.9400 0.0000 . 1 . . . . A 37 SER CA . 30529 1 396 . 1 1 37 37 SER CB C 13 67.0600 0.0000 . 1 . . . . A 37 SER CB . 30529 1 397 . 1 1 37 37 SER N N 15 126.4700 0.0000 . 1 . . . . A 37 SER N . 30529 1 398 . 1 1 38 38 THR H H 1 8.8700 0.0000 . 1 . . . . A 38 THR H . 30529 1 399 . 1 1 38 38 THR HA H 1 3.7100 0.0000 . 1 . . . . A 38 THR HA . 30529 1 400 . 1 1 38 38 THR HB H 1 4.2300 0.0000 . 1 . . . . A 38 THR HB . 30529 1 401 . 1 1 38 38 THR HG21 H 1 1.2970 0.0000 . 1 . . . . A 38 THR HG21 . 30529 1 402 . 1 1 38 38 THR HG22 H 1 1.2970 0.0000 . 1 . . . . A 38 THR HG22 . 30529 1 403 . 1 1 38 38 THR HG23 H 1 1.2970 0.0000 . 1 . . . . A 38 THR HG23 . 30529 1 404 . 1 1 38 38 THR CA C 13 66.4200 0.0000 . 1 . . . . A 38 THR CA . 30529 1 405 . 1 1 38 38 THR CB C 13 68.0300 0.0000 . 1 . . . . A 38 THR CB . 30529 1 406 . 1 1 38 38 THR CG2 C 13 22.6600 0.0000 . 1 . . . . A 38 THR CG2 . 30529 1 407 . 1 1 38 38 THR N N 15 111.5800 0.0000 . 1 . . . . A 38 THR N . 30529 1 408 . 1 1 39 39 LYS H H 1 8.0180 0.0000 . 1 . . . . A 39 LYS H . 30529 1 409 . 1 1 39 39 LYS HA H 1 4.0450 0.0000 . 1 . . . . A 39 LYS HA . 30529 1 410 . 1 1 39 39 LYS HB2 H 1 1.8400 0.0000 . 2 . . . . A 39 LYS HB2 . 30529 1 411 . 1 1 39 39 LYS HB3 H 1 1.7200 0.0000 . 2 . . . . A 39 LYS HB3 . 30529 1 412 . 1 1 39 39 LYS HG2 H 1 1.3100 0.0000 . 2 . . . . A 39 LYS HG2 . 30529 1 413 . 1 1 39 39 LYS HG3 H 1 1.4800 0.0000 . 2 . . . . A 39 LYS HG3 . 30529 1 414 . 1 1 39 39 LYS HE2 H 1 3.0100 0.0000 . 2 . . . . A 39 LYS HE2 . 30529 1 415 . 1 1 39 39 LYS HE3 H 1 3.0100 0.0000 . 2 . . . . A 39 LYS HE3 . 30529 1 416 . 1 1 39 39 LYS CA C 13 59.5000 0.0000 . 1 . . . . A 39 LYS CA . 30529 1 417 . 1 1 39 39 LYS CB C 13 32.2000 0.0000 . 1 . . . . A 39 LYS CB . 30529 1 418 . 1 1 39 39 LYS CG C 13 24.7400 0.0000 . 1 . . . . A 39 LYS CG . 30529 1 419 . 1 1 39 39 LYS CD C 13 29.2750 0.0000 . 1 . . . . A 39 LYS CD . 30529 1 420 . 1 1 39 39 LYS CE C 13 41.8000 0.0000 . 1 . . . . A 39 LYS CE . 30529 1 421 . 1 1 39 39 LYS N N 15 123.3000 0.0000 . 1 . . . . A 39 LYS N . 30529 1 422 . 1 1 40 40 GLU H H 1 7.6660 0.0000 . 1 . . . . A 40 GLU H . 30529 1 423 . 1 1 40 40 GLU HA H 1 4.1570 0.0000 . 1 . . . . A 40 GLU HA . 30529 1 424 . 1 1 40 40 GLU HB2 H 1 2.3800 0.0000 . 2 . . . . A 40 GLU HB2 . 30529 1 425 . 1 1 40 40 GLU HB3 H 1 2.4900 0.0000 . 2 . . . . A 40 GLU HB3 . 30529 1 426 . 1 1 40 40 GLU HG2 H 1 2.6000 0.0000 . 2 . . . . A 40 GLU HG2 . 30529 1 427 . 1 1 40 40 GLU HG3 H 1 2.3200 0.0000 . 2 . . . . A 40 GLU HG3 . 30529 1 428 . 1 1 40 40 GLU CA C 13 61.0000 0.0000 . 1 . . . . A 40 GLU CA . 30529 1 429 . 1 1 40 40 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 40 GLU CB . 30529 1 430 . 1 1 40 40 GLU CG C 13 38.8000 0.0000 . 1 . . . . A 40 GLU CG . 30529 1 431 . 1 1 40 40 GLU N N 15 119.7500 0.0000 . 1 . . . . A 40 GLU N . 30529 1 432 . 1 1 41 41 LEU H H 1 8.3260 0.0000 . 1 . . . . A 41 LEU H . 30529 1 433 . 1 1 41 41 LEU HA H 1 4.1700 0.0000 . 1 . . . . A 41 LEU HA . 30529 1 434 . 1 1 41 41 LEU HB2 H 1 1.3300 0.0000 . 2 . . . . A 41 LEU HB2 . 30529 1 435 . 1 1 41 41 LEU HB3 H 1 1.6700 0.0000 . 2 . . . . A 41 LEU HB3 . 30529 1 436 . 1 1 41 41 LEU HG H 1 1.7000 0.0000 . 1 . . . . A 41 LEU HG . 30529 1 437 . 1 1 41 41 LEU HD11 H 1 0.5800 0.0000 . 1 . . . . A 41 LEU HD11 . 30529 1 438 . 1 1 41 41 LEU HD12 H 1 0.5800 0.0000 . 1 . . . . A 41 LEU HD12 . 30529 1 439 . 1 1 41 41 LEU HD13 H 1 0.5800 0.0000 . 1 . . . . A 41 LEU HD13 . 30529 1 440 . 1 1 41 41 LEU HD21 H 1 0.7090 0.0000 . 1 . . . . A 41 LEU HD21 . 30529 1 441 . 1 1 41 41 LEU HD22 H 1 0.7090 0.0000 . 1 . . . . A 41 LEU HD22 . 30529 1 442 . 1 1 41 41 LEU HD23 H 1 0.7090 0.0000 . 1 . . . . A 41 LEU HD23 . 30529 1 443 . 1 1 41 41 LEU CA C 13 57.6900 0.0000 . 1 . . . . A 41 LEU CA . 30529 1 444 . 1 1 41 41 LEU CB C 13 42.3800 0.0000 . 1 . . . . A 41 LEU CB . 30529 1 445 . 1 1 41 41 LEU CG C 13 26.9000 0.0000 . 1 . . . . A 41 LEU CG . 30529 1 446 . 1 1 41 41 LEU CD1 C 13 23.1600 0.0000 . 1 . . . . A 41 LEU CD1 . 30529 1 447 . 1 1 41 41 LEU CD2 C 13 26.6500 0.0000 . 1 . . . . A 41 LEU CD2 . 30529 1 448 . 1 1 41 41 LEU N N 15 119.1100 0.0000 . 1 . . . . A 41 LEU N . 30529 1 449 . 1 1 42 42 GLY H H 1 8.4680 0.0000 . 1 . . . . A 42 GLY H . 30529 1 450 . 1 1 42 42 GLY HA2 H 1 3.4900 0.0000 . 2 . . . . A 42 GLY HA2 . 30529 1 451 . 1 1 42 42 GLY HA3 H 1 3.9300 0.0000 . 2 . . . . A 42 GLY HA3 . 30529 1 452 . 1 1 42 42 GLY CA C 13 48.0000 0.0000 . 1 . . . . A 42 GLY CA . 30529 1 453 . 1 1 42 42 GLY N N 15 105.9000 0.0000 . 1 . . . . A 42 GLY N . 30529 1 454 . 1 1 43 43 LYS H H 1 7.3100 0.0000 . 1 . . . . A 43 LYS H . 30529 1 455 . 1 1 43 43 LYS HA H 1 3.9700 0.0000 . 1 . . . . A 43 LYS HA . 30529 1 456 . 1 1 43 43 LYS HB2 H 1 1.9800 0.0000 . 2 . . . . A 43 LYS HB2 . 30529 1 457 . 1 1 43 43 LYS HB3 H 1 1.9800 0.0000 . 2 . . . . A 43 LYS HB3 . 30529 1 458 . 1 1 43 43 LYS HG2 H 1 1.3600 0.0000 . 2 . . . . A 43 LYS HG2 . 30529 1 459 . 1 1 43 43 LYS HG3 H 1 1.6240 0.0000 . 2 . . . . A 43 LYS HG3 . 30529 1 460 . 1 1 43 43 LYS HD2 H 1 1.7600 0.0000 . 2 . . . . A 43 LYS HD2 . 30529 1 461 . 1 1 43 43 LYS HD3 H 1 1.7600 0.0000 . 2 . . . . A 43 LYS HD3 . 30529 1 462 . 1 1 43 43 LYS HE2 H 1 2.9700 0.0000 . 2 . . . . A 43 LYS HE2 . 30529 1 463 . 1 1 43 43 LYS HE3 H 1 2.9700 0.0000 . 2 . . . . A 43 LYS HE3 . 30529 1 464 . 1 1 43 43 LYS CA C 13 59.9000 0.0000 . 1 . . . . A 43 LYS CA . 30529 1 465 . 1 1 43 43 LYS CB C 13 32.2500 0.0000 . 1 . . . . A 43 LYS CB . 30529 1 466 . 1 1 43 43 LYS CG C 13 25.0550 0.0000 . 1 . . . . A 43 LYS CG . 30529 1 467 . 1 1 43 43 LYS CD C 13 29.3500 0.0000 . 1 . . . . A 43 LYS CD . 30529 1 468 . 1 1 43 43 LYS CE C 13 41.8300 0.0000 . 1 . . . . A 43 LYS CE . 30529 1 469 . 1 1 43 43 LYS N N 15 120.8000 0.0000 . 1 . . . . A 43 LYS N . 30529 1 470 . 1 1 44 44 VAL H H 1 7.5740 0.0000 . 1 . . . . A 44 VAL H . 30529 1 471 . 1 1 44 44 VAL HA H 1 3.6300 0.0000 . 1 . . . . A 44 VAL HA . 30529 1 472 . 1 1 44 44 VAL HB H 1 1.8160 0.0000 . 1 . . . . A 44 VAL HB . 30529 1 473 . 1 1 44 44 VAL HG11 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG11 . 30529 1 474 . 1 1 44 44 VAL HG12 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG12 . 30529 1 475 . 1 1 44 44 VAL HG13 H 1 0.5600 0.0000 . 1 . . . . A 44 VAL HG13 . 30529 1 476 . 1 1 44 44 VAL HG21 H 1 0.4820 0.0000 . 1 . . . . A 44 VAL HG21 . 30529 1 477 . 1 1 44 44 VAL HG22 H 1 0.4820 0.0000 . 1 . . . . A 44 VAL HG22 . 30529 1 478 . 1 1 44 44 VAL HG23 H 1 0.4820 0.0000 . 1 . . . . A 44 VAL HG23 . 30529 1 479 . 1 1 44 44 VAL CA C 13 66.1900 0.0000 . 1 . . . . A 44 VAL CA . 30529 1 480 . 1 1 44 44 VAL CB C 13 31.6800 0.0000 . 1 . . . . A 44 VAL CB . 30529 1 481 . 1 1 44 44 VAL CG1 C 13 21.0000 0.0000 . 1 . . . . A 44 VAL CG1 . 30529 1 482 . 1 1 44 44 VAL CG2 C 13 23.0000 0.0000 . 1 . . . . A 44 VAL CG2 . 30529 1 483 . 1 1 44 44 VAL N N 15 119.5100 0.0000 . 1 . . . . A 44 VAL N . 30529 1 484 . 1 1 45 45 MET H H 1 8.4100 0.0000 . 1 . . . . A 45 MET H . 30529 1 485 . 1 1 45 45 MET HA H 1 4.1000 0.0000 . 1 . . . . A 45 MET HA . 30529 1 486 . 1 1 45 45 MET HB2 H 1 1.6000 0.0000 . 2 . . . . A 45 MET HB2 . 30529 1 487 . 1 1 45 45 MET HB3 H 1 1.6000 0.0000 . 2 . . . . A 45 MET HB3 . 30529 1 488 . 1 1 45 45 MET HG2 H 1 2.3780 0.0000 . 2 . . . . A 45 MET HG2 . 30529 1 489 . 1 1 45 45 MET HG3 H 1 2.3780 0.0000 . 2 . . . . A 45 MET HG3 . 30529 1 490 . 1 1 45 45 MET HE1 H 1 1.6900 0.0000 . 1 . . . . A 45 MET HE1 . 30529 1 491 . 1 1 45 45 MET HE2 H 1 1.6900 0.0000 . 1 . . . . A 45 MET HE2 . 30529 1 492 . 1 1 45 45 MET HE3 H 1 1.6900 0.0000 . 1 . . . . A 45 MET HE3 . 30529 1 493 . 1 1 45 45 MET CA C 13 58.2500 0.0000 . 1 . . . . A 45 MET CA . 30529 1 494 . 1 1 45 45 MET CB C 13 31.0000 0.0000 . 1 . . . . A 45 MET CB . 30529 1 495 . 1 1 45 45 MET CG C 13 33.4900 0.0000 . 1 . . . . A 45 MET CG . 30529 1 496 . 1 1 45 45 MET CE C 13 17.7000 0.0000 . 1 . . . . A 45 MET CE . 30529 1 497 . 1 1 45 45 MET N N 15 116.9900 0.0000 . 1 . . . . A 45 MET N . 30529 1 498 . 1 1 46 46 ARG H H 1 8.1100 0.0000 . 1 . . . . A 46 ARG H . 30529 1 499 . 1 1 46 46 ARG HA H 1 4.6250 0.0000 . 1 . . . . A 46 ARG HA . 30529 1 500 . 1 1 46 46 ARG HB2 H 1 1.8800 0.0000 . 2 . . . . A 46 ARG HB2 . 30529 1 501 . 1 1 46 46 ARG HB3 H 1 1.9500 0.0000 . 2 . . . . A 46 ARG HB3 . 30529 1 502 . 1 1 46 46 ARG HG2 H 1 1.7500 0.0000 . 2 . . . . A 46 ARG HG2 . 30529 1 503 . 1 1 46 46 ARG HG3 H 1 1.9000 0.0000 . 2 . . . . A 46 ARG HG3 . 30529 1 504 . 1 1 46 46 ARG HD2 H 1 3.2800 0.0000 . 2 . . . . A 46 ARG HD2 . 30529 1 505 . 1 1 46 46 ARG HD3 H 1 3.1500 0.0000 . 2 . . . . A 46 ARG HD3 . 30529 1 506 . 1 1 46 46 ARG CA C 13 59.2500 0.0000 . 1 . . . . A 46 ARG CA . 30529 1 507 . 1 1 46 46 ARG CB C 13 30.0000 0.0000 . 1 . . . . A 46 ARG CB . 30529 1 508 . 1 1 46 46 ARG CG C 13 28.7000 0.0000 . 1 . . . . A 46 ARG CG . 30529 1 509 . 1 1 46 46 ARG CD C 13 43.3200 0.0000 . 1 . . . . A 46 ARG CD . 30529 1 510 . 1 1 46 46 ARG N N 15 118.6000 0.0000 . 1 . . . . A 46 ARG N . 30529 1 511 . 1 1 47 47 MET H H 1 7.8400 0.0000 . 1 . . . . A 47 MET H . 30529 1 512 . 1 1 47 47 MET HA H 1 4.1800 0.0000 . 1 . . . . A 47 MET HA . 30529 1 513 . 1 1 47 47 MET HB2 H 1 2.3650 0.0000 . 2 . . . . A 47 MET HB2 . 30529 1 514 . 1 1 47 47 MET HB3 H 1 2.2430 0.0000 . 2 . . . . A 47 MET HB3 . 30529 1 515 . 1 1 47 47 MET HG2 H 1 2.7180 0.0000 . 2 . . . . A 47 MET HG2 . 30529 1 516 . 1 1 47 47 MET HG3 H 1 2.5920 0.0000 . 2 . . . . A 47 MET HG3 . 30529 1 517 . 1 1 47 47 MET HE1 H 1 1.9900 0.0000 . 1 . . . . A 47 MET HE1 . 30529 1 518 . 1 1 47 47 MET HE2 H 1 1.9900 0.0000 . 1 . . . . A 47 MET HE2 . 30529 1 519 . 1 1 47 47 MET HE3 H 1 1.9900 0.0000 . 1 . . . . A 47 MET HE3 . 30529 1 520 . 1 1 47 47 MET CA C 13 58.8400 0.0000 . 1 . . . . A 47 MET CA . 30529 1 521 . 1 1 47 47 MET CB C 13 32.4000 0.0000 . 1 . . . . A 47 MET CB . 30529 1 522 . 1 1 47 47 MET CG C 13 31.8100 0.0000 . 1 . . . . A 47 MET CG . 30529 1 523 . 1 1 47 47 MET CE C 13 16.7900 0.0000 . 1 . . . . A 47 MET CE . 30529 1 524 . 1 1 47 47 MET N N 15 122.4000 0.0000 . 1 . . . . A 47 MET N . 30529 1 525 . 1 1 48 48 LEU H H 1 7.4920 0.0000 . 1 . . . . A 48 LEU H . 30529 1 526 . 1 1 48 48 LEU HA H 1 4.3900 0.0000 . 1 . . . . A 48 LEU HA . 30529 1 527 . 1 1 48 48 LEU HB2 H 1 1.8580 0.0000 . 2 . . . . A 48 LEU HB2 . 30529 1 528 . 1 1 48 48 LEU HB3 H 1 1.8580 0.0000 . 2 . . . . A 48 LEU HB3 . 30529 1 529 . 1 1 48 48 LEU HG H 1 1.8600 0.0000 . 1 . . . . A 48 LEU HG . 30529 1 530 . 1 1 48 48 LEU HD11 H 1 0.8200 0.0000 . 1 . . . . A 48 LEU HD11 . 30529 1 531 . 1 1 48 48 LEU HD12 H 1 0.8200 0.0000 . 1 . . . . A 48 LEU HD12 . 30529 1 532 . 1 1 48 48 LEU HD13 H 1 0.8200 0.0000 . 1 . . . . A 48 LEU HD13 . 30529 1 533 . 1 1 48 48 LEU HD21 H 1 0.8100 0.0000 . 1 . . . . A 48 LEU HD21 . 30529 1 534 . 1 1 48 48 LEU HD22 H 1 0.8100 0.0000 . 1 . . . . A 48 LEU HD22 . 30529 1 535 . 1 1 48 48 LEU HD23 H 1 0.8100 0.0000 . 1 . . . . A 48 LEU HD23 . 30529 1 536 . 1 1 48 48 LEU CA C 13 54.4000 0.0000 . 1 . . . . A 48 LEU CA . 30529 1 537 . 1 1 48 48 LEU CB C 13 41.6000 0.0000 . 1 . . . . A 48 LEU CB . 30529 1 538 . 1 1 48 48 LEU CG C 13 26.6000 0.0000 . 1 . . . . A 48 LEU CG . 30529 1 539 . 1 1 48 48 LEU CD1 C 13 26.1000 0.0000 . 1 . . . . A 48 LEU CD1 . 30529 1 540 . 1 1 48 48 LEU CD2 C 13 23.0500 0.0000 . 1 . . . . A 48 LEU CD2 . 30529 1 541 . 1 1 48 48 LEU N N 15 117.6600 0.0000 . 1 . . . . A 48 LEU N . 30529 1 542 . 1 1 49 49 GLY H H 1 7.8300 0.0000 . 1 . . . . A 49 GLY H . 30529 1 543 . 1 1 49 49 GLY HA2 H 1 3.8000 0.0000 . 2 . . . . A 49 GLY HA2 . 30529 1 544 . 1 1 49 49 GLY HA3 H 1 4.1900 0.0000 . 2 . . . . A 49 GLY HA3 . 30529 1 545 . 1 1 49 49 GLY CA C 13 45.7400 0.0000 . 1 . . . . A 49 GLY CA . 30529 1 546 . 1 1 49 49 GLY N N 15 107.4500 0.0000 . 1 . . . . A 49 GLY N . 30529 1 547 . 1 1 50 50 GLN H H 1 8.0600 0.0000 . 1 . . . . A 50 GLN H . 30529 1 548 . 1 1 50 50 GLN HA H 1 4.4940 0.0000 . 1 . . . . A 50 GLN HA . 30529 1 549 . 1 1 50 50 GLN HB2 H 1 2.1000 0.0000 . 2 . . . . A 50 GLN HB2 . 30529 1 550 . 1 1 50 50 GLN HB3 H 1 1.6000 0.0000 . 2 . . . . A 50 GLN HB3 . 30529 1 551 . 1 1 50 50 GLN HG2 H 1 2.1500 0.0000 . 2 . . . . A 50 GLN HG2 . 30529 1 552 . 1 1 50 50 GLN HG3 H 1 2.1500 0.0000 . 2 . . . . A 50 GLN HG3 . 30529 1 553 . 1 1 50 50 GLN CA C 13 53.7900 0.0000 . 1 . . . . A 50 GLN CA . 30529 1 554 . 1 1 50 50 GLN CB C 13 31.0300 0.0000 . 1 . . . . A 50 GLN CB . 30529 1 555 . 1 1 50 50 GLN CG C 13 33.5700 0.0000 . 1 . . . . A 50 GLN CG . 30529 1 556 . 1 1 50 50 GLN N N 15 118.2500 0.0000 . 1 . . . . A 50 GLN N . 30529 1 557 . 1 1 51 51 ASN H H 1 8.6450 0.0000 . 1 . . . . A 51 ASN H . 30529 1 558 . 1 1 51 51 ASN HA H 1 5.1490 0.0000 . 1 . . . . A 51 ASN HA . 30529 1 559 . 1 1 51 51 ASN HB2 H 1 2.7590 0.0000 . 2 . . . . A 51 ASN HB2 . 30529 1 560 . 1 1 51 51 ASN HB3 H 1 2.5090 0.0000 . 2 . . . . A 51 ASN HB3 . 30529 1 561 . 1 1 51 51 ASN CA C 13 51.0500 0.0000 . 1 . . . . A 51 ASN CA . 30529 1 562 . 1 1 51 51 ASN CB C 13 39.1100 0.0000 . 1 . . . . A 51 ASN CB . 30529 1 563 . 1 1 51 51 ASN N N 15 116.6000 0.0000 . 1 . . . . A 51 ASN N . 30529 1 564 . 1 1 52 52 PRO HA H 1 4.7500 0.0000 . 1 . . . . A 52 PRO HA . 30529 1 565 . 1 1 52 52 PRO HB2 H 1 1.8700 0.0000 . 2 . . . . A 52 PRO HB2 . 30529 1 566 . 1 1 52 52 PRO HB3 H 1 2.1300 0.0000 . 2 . . . . A 52 PRO HB3 . 30529 1 567 . 1 1 52 52 PRO HG2 H 1 1.8500 0.0000 . 2 . . . . A 52 PRO HG2 . 30529 1 568 . 1 1 52 52 PRO HG3 H 1 1.7700 0.0000 . 2 . . . . A 52 PRO HG3 . 30529 1 569 . 1 1 52 52 PRO HD2 H 1 3.2390 0.0000 . 2 . . . . A 52 PRO HD2 . 30529 1 570 . 1 1 52 52 PRO HD3 H 1 3.5600 0.0000 . 2 . . . . A 52 PRO HD3 . 30529 1 571 . 1 1 52 52 PRO CA C 13 62.1190 0.0000 . 1 . . . . A 52 PRO CA . 30529 1 572 . 1 1 52 52 PRO CB C 13 32.0300 0.0000 . 1 . . . . A 52 PRO CB . 30529 1 573 . 1 1 52 52 PRO CG C 13 27.8100 0.0000 . 1 . . . . A 52 PRO CG . 30529 1 574 . 1 1 52 52 PRO CD C 13 49.7700 0.0000 . 1 . . . . A 52 PRO CD . 30529 1 575 . 1 1 53 53 THR H H 1 8.9000 0.0000 . 1 . . . . A 53 THR H . 30529 1 576 . 1 1 53 53 THR HA H 1 4.6180 0.0000 . 1 . . . . A 53 THR HA . 30529 1 577 . 1 1 53 53 THR HB H 1 4.7990 0.0000 . 1 . . . . A 53 THR HB . 30529 1 578 . 1 1 53 53 THR HG21 H 1 1.3800 0.0000 . 1 . . . . A 53 THR HG21 . 30529 1 579 . 1 1 53 53 THR HG22 H 1 1.3800 0.0000 . 1 . . . . A 53 THR HG22 . 30529 1 580 . 1 1 53 53 THR HG23 H 1 1.3800 0.0000 . 1 . . . . A 53 THR HG23 . 30529 1 581 . 1 1 53 53 THR CA C 13 59.9500 0.0000 . 1 . . . . A 53 THR CA . 30529 1 582 . 1 1 53 53 THR CB C 13 68.2300 0.0000 . 1 . . . . A 53 THR CB . 30529 1 583 . 1 1 53 53 THR CG2 C 13 22.0600 0.0000 . 1 . . . . A 53 THR CG2 . 30529 1 584 . 1 1 53 53 THR N N 15 114.0000 0.0000 . 1 . . . . A 53 THR N . 30529 1 585 . 1 1 54 54 PRO HA H 1 4.1640 0.0000 . 1 . . . . A 54 PRO HA . 30529 1 586 . 1 1 54 54 PRO HB2 H 1 2.4400 0.0000 . 2 . . . . A 54 PRO HB2 . 30529 1 587 . 1 1 54 54 PRO HB3 H 1 1.9200 0.0000 . 2 . . . . A 54 PRO HB3 . 30529 1 588 . 1 1 54 54 PRO HG2 H 1 2.2400 0.0000 . 2 . . . . A 54 PRO HG2 . 30529 1 589 . 1 1 54 54 PRO HG3 H 1 2.0200 0.0000 . 2 . . . . A 54 PRO HG3 . 30529 1 590 . 1 1 54 54 PRO HD2 H 1 3.9270 0.0000 . 2 . . . . A 54 PRO HD2 . 30529 1 591 . 1 1 54 54 PRO HD3 H 1 3.9270 0.0000 . 2 . . . . A 54 PRO HD3 . 30529 1 592 . 1 1 54 54 PRO CA C 13 66.0900 0.0000 . 1 . . . . A 54 PRO CA . 30529 1 593 . 1 1 54 54 PRO CB C 13 31.7200 0.0000 . 1 . . . . A 54 PRO CB . 30529 1 594 . 1 1 54 54 PRO CG C 13 28.2300 0.0000 . 1 . . . . A 54 PRO CG . 30529 1 595 . 1 1 54 54 PRO CD C 13 50.3300 0.0000 . 1 . . . . A 54 PRO CD . 30529 1 596 . 1 1 55 55 GLU H H 1 8.7600 0.0000 . 1 . . . . A 55 GLU H . 30529 1 597 . 1 1 55 55 GLU HA H 1 4.0200 0.0000 . 1 . . . . A 55 GLU HA . 30529 1 598 . 1 1 55 55 GLU HB2 H 1 1.9300 0.0000 . 2 . . . . A 55 GLU HB2 . 30529 1 599 . 1 1 55 55 GLU HB3 H 1 2.0400 0.0000 . 2 . . . . A 55 GLU HB3 . 30529 1 600 . 1 1 55 55 GLU HG2 H 1 2.2400 0.0000 . 2 . . . . A 55 GLU HG2 . 30529 1 601 . 1 1 55 55 GLU HG3 H 1 2.4300 0.0000 . 2 . . . . A 55 GLU HG3 . 30529 1 602 . 1 1 55 55 GLU CA C 13 60.4200 0.0000 . 1 . . . . A 55 GLU CA . 30529 1 603 . 1 1 55 55 GLU CB C 13 28.7600 0.0000 . 1 . . . . A 55 GLU CB . 30529 1 604 . 1 1 55 55 GLU CG C 13 37.2200 0.0000 . 1 . . . . A 55 GLU CG . 30529 1 605 . 1 1 55 55 GLU N N 15 117.3600 0.0000 . 1 . . . . A 55 GLU N . 30529 1 606 . 1 1 56 56 GLU H H 1 7.7800 0.0000 . 1 . . . . A 56 GLU H . 30529 1 607 . 1 1 56 56 GLU HA H 1 3.9630 0.0000 . 1 . . . . A 56 GLU HA . 30529 1 608 . 1 1 56 56 GLU HB2 H 1 2.3600 0.0000 . 2 . . . . A 56 GLU HB2 . 30529 1 609 . 1 1 56 56 GLU HB3 H 1 1.8200 0.0000 . 2 . . . . A 56 GLU HB3 . 30529 1 610 . 1 1 56 56 GLU HG2 H 1 2.2300 0.0000 . 2 . . . . A 56 GLU HG2 . 30529 1 611 . 1 1 56 56 GLU HG3 H 1 2.3600 0.0000 . 2 . . . . A 56 GLU HG3 . 30529 1 612 . 1 1 56 56 GLU CA C 13 59.2000 0.0000 . 1 . . . . A 56 GLU CA . 30529 1 613 . 1 1 56 56 GLU CB C 13 29.9000 0.0000 . 1 . . . . A 56 GLU CB . 30529 1 614 . 1 1 56 56 GLU CG C 13 37.5200 0.0000 . 1 . . . . A 56 GLU CG . 30529 1 615 . 1 1 56 56 GLU N N 15 121.6100 0.0000 . 1 . . . . A 56 GLU N . 30529 1 616 . 1 1 57 57 LEU H H 1 8.1100 0.0000 . 1 . . . . A 57 LEU H . 30529 1 617 . 1 1 57 57 LEU HA H 1 4.0190 0.0000 . 1 . . . . A 57 LEU HA . 30529 1 618 . 1 1 57 57 LEU HB2 H 1 2.0800 0.0000 . 2 . . . . A 57 LEU HB2 . 30529 1 619 . 1 1 57 57 LEU HB3 H 1 1.1080 0.0000 . 2 . . . . A 57 LEU HB3 . 30529 1 620 . 1 1 57 57 LEU HG H 1 1.7000 0.0000 . 1 . . . . A 57 LEU HG . 30529 1 621 . 1 1 57 57 LEU HD11 H 1 0.8430 0.0000 . 1 . . . . A 57 LEU HD11 . 30529 1 622 . 1 1 57 57 LEU HD12 H 1 0.8430 0.0000 . 1 . . . . A 57 LEU HD12 . 30529 1 623 . 1 1 57 57 LEU HD13 H 1 0.8430 0.0000 . 1 . . . . A 57 LEU HD13 . 30529 1 624 . 1 1 57 57 LEU HD21 H 1 0.6800 0.0000 . 1 . . . . A 57 LEU HD21 . 30529 1 625 . 1 1 57 57 LEU HD22 H 1 0.6800 0.0000 . 1 . . . . A 57 LEU HD22 . 30529 1 626 . 1 1 57 57 LEU HD23 H 1 0.6800 0.0000 . 1 . . . . A 57 LEU HD23 . 30529 1 627 . 1 1 57 57 LEU CA C 13 57.6300 0.0000 . 1 . . . . A 57 LEU CA . 30529 1 628 . 1 1 57 57 LEU CB C 13 42.6900 0.0000 . 1 . . . . A 57 LEU CB . 30529 1 629 . 1 1 57 57 LEU CG C 13 27.0000 0.0000 . 1 . . . . A 57 LEU CG . 30529 1 630 . 1 1 57 57 LEU CD1 C 13 25.8900 0.0000 . 1 . . . . A 57 LEU CD1 . 30529 1 631 . 1 1 57 57 LEU CD2 C 13 23.7000 0.0000 . 1 . . . . A 57 LEU CD2 . 30529 1 632 . 1 1 57 57 LEU N N 15 118.2400 0.0000 . 1 . . . . A 57 LEU N . 30529 1 633 . 1 1 58 58 GLN H H 1 7.9200 0.0000 . 1 . . . . A 58 GLN H . 30529 1 634 . 1 1 58 58 GLN HA H 1 3.7000 0.0000 . 1 . . . . A 58 GLN HA . 30529 1 635 . 1 1 58 58 GLN HB2 H 1 2.1540 0.0000 . 2 . . . . A 58 GLN HB2 . 30529 1 636 . 1 1 58 58 GLN HB3 H 1 2.1540 0.0000 . 2 . . . . A 58 GLN HB3 . 30529 1 637 . 1 1 58 58 GLN HG2 H 1 2.4870 0.0000 . 2 . . . . A 58 GLN HG2 . 30529 1 638 . 1 1 58 58 GLN HG3 H 1 2.3800 0.0000 . 2 . . . . A 58 GLN HG3 . 30529 1 639 . 1 1 58 58 GLN CA C 13 58.1800 0.0000 . 1 . . . . A 58 GLN CA . 30529 1 640 . 1 1 58 58 GLN CB C 13 28.3700 0.0000 . 1 . . . . A 58 GLN CB . 30529 1 641 . 1 1 58 58 GLN CG C 13 33.5300 0.0000 . 1 . . . . A 58 GLN CG . 30529 1 642 . 1 1 58 58 GLN N N 15 118.0000 0.0000 . 1 . . . . A 58 GLN N . 30529 1 643 . 1 1 59 59 GLU H H 1 7.8750 0.0000 . 1 . . . . A 59 GLU H . 30529 1 644 . 1 1 59 59 GLU HA H 1 4.0450 0.0000 . 1 . . . . A 59 GLU HA . 30529 1 645 . 1 1 59 59 GLU HB2 H 1 2.1850 0.0000 . 2 . . . . A 59 GLU HB2 . 30529 1 646 . 1 1 59 59 GLU HB3 H 1 2.0570 0.0000 . 2 . . . . A 59 GLU HB3 . 30529 1 647 . 1 1 59 59 GLU HG2 H 1 2.4400 0.0000 . 2 . . . . A 59 GLU HG2 . 30529 1 648 . 1 1 59 59 GLU HG3 H 1 2.2400 0.0000 . 2 . . . . A 59 GLU HG3 . 30529 1 649 . 1 1 59 59 GLU CA C 13 59.5000 0.0000 . 1 . . . . A 59 GLU CA . 30529 1 650 . 1 1 59 59 GLU CB C 13 29.6970 0.0000 . 1 . . . . A 59 GLU CB . 30529 1 651 . 1 1 59 59 GLU CG C 13 36.5000 0.0000 . 1 . . . . A 59 GLU CG . 30529 1 652 . 1 1 59 59 GLU N N 15 119.2000 0.0000 . 1 . . . . A 59 GLU N . 30529 1 653 . 1 1 60 60 MET H H 1 7.7800 0.0000 . 1 . . . . A 60 MET H . 30529 1 654 . 1 1 60 60 MET HA H 1 4.0000 0.0000 . 1 . . . . A 60 MET HA . 30529 1 655 . 1 1 60 60 MET HB2 H 1 1.9530 0.0000 . 1 . . . . A 60 MET HB2 . 30529 1 656 . 1 1 60 60 MET HB3 H 1 2.2700 0.0000 . 1 . . . . A 60 MET HB3 . 30529 1 657 . 1 1 60 60 MET HG2 H 1 2.7700 0.0000 . 2 . . . . A 60 MET HG2 . 30529 1 658 . 1 1 60 60 MET HG3 H 1 2.4630 0.0000 . 2 . . . . A 60 MET HG3 . 30529 1 659 . 1 1 60 60 MET HE1 H 1 1.7100 0.0000 . 1 . . . . A 60 MET HE1 . 30529 1 660 . 1 1 60 60 MET HE2 H 1 1.7100 0.0000 . 1 . . . . A 60 MET HE2 . 30529 1 661 . 1 1 60 60 MET HE3 H 1 1.7100 0.0000 . 1 . . . . A 60 MET HE3 . 30529 1 662 . 1 1 60 60 MET CA C 13 59.5000 0.0000 . 1 . . . . A 60 MET CA . 30529 1 663 . 1 1 60 60 MET CB C 13 33.7800 0.0000 . 1 . . . . A 60 MET CB . 30529 1 664 . 1 1 60 60 MET CG C 13 32.9000 0.0000 . 1 . . . . A 60 MET CG . 30529 1 665 . 1 1 60 60 MET CE C 13 17.2500 0.0000 . 1 . . . . A 60 MET CE . 30529 1 666 . 1 1 60 60 MET N N 15 117.7600 0.0000 . 1 . . . . A 60 MET N . 30529 1 667 . 1 1 61 61 ILE H H 1 7.4570 0.0000 . 1 . . . . A 61 ILE H . 30529 1 668 . 1 1 61 61 ILE HA H 1 3.5580 0.0000 . 1 . . . . A 61 ILE HA . 30529 1 669 . 1 1 61 61 ILE HB H 1 2.0500 0.0000 . 1 . . . . A 61 ILE HB . 30529 1 670 . 1 1 61 61 ILE HG12 H 1 1.2000 0.0000 . 2 . . . . A 61 ILE HG12 . 30529 1 671 . 1 1 61 61 ILE HG13 H 1 1.5600 0.0000 . 2 . . . . A 61 ILE HG13 . 30529 1 672 . 1 1 61 61 ILE HG21 H 1 0.7390 0.0000 . 1 . . . . A 61 ILE HG21 . 30529 1 673 . 1 1 61 61 ILE HG22 H 1 0.7390 0.0000 . 1 . . . . A 61 ILE HG22 . 30529 1 674 . 1 1 61 61 ILE HG23 H 1 0.7390 0.0000 . 1 . . . . A 61 ILE HG23 . 30529 1 675 . 1 1 61 61 ILE HD11 H 1 0.6900 0.0000 . 1 . . . . A 61 ILE HD11 . 30529 1 676 . 1 1 61 61 ILE HD12 H 1 0.6900 0.0000 . 1 . . . . A 61 ILE HD12 . 30529 1 677 . 1 1 61 61 ILE HD13 H 1 0.6900 0.0000 . 1 . . . . A 61 ILE HD13 . 30529 1 678 . 1 1 61 61 ILE CA C 13 63.8100 0.0000 . 1 . . . . A 61 ILE CA . 30529 1 679 . 1 1 61 61 ILE CB C 13 36.8300 0.0000 . 1 . . . . A 61 ILE CB . 30529 1 680 . 1 1 61 61 ILE CG1 C 13 28.6700 0.0000 . 1 . . . . A 61 ILE CG1 . 30529 1 681 . 1 1 61 61 ILE CG2 C 13 15.9500 0.0000 . 1 . . . . A 61 ILE CG2 . 30529 1 682 . 1 1 61 61 ILE CD1 C 13 11.9600 0.0000 . 1 . . . . A 61 ILE CD1 . 30529 1 683 . 1 1 61 61 ILE N N 15 118.1600 0.0000 . 1 . . . . A 61 ILE N . 30529 1 684 . 1 1 62 62 ASP H H 1 8.7300 0.0000 . 1 . . . . A 62 ASP H . 30529 1 685 . 1 1 62 62 ASP HA H 1 4.3380 0.0000 . 1 . . . . A 62 ASP HA . 30529 1 686 . 1 1 62 62 ASP HB2 H 1 2.7900 0.0000 . 2 . . . . A 62 ASP HB2 . 30529 1 687 . 1 1 62 62 ASP HB3 H 1 2.6400 0.0000 . 2 . . . . A 62 ASP HB3 . 30529 1 688 . 1 1 62 62 ASP CA C 13 57.3800 0.0000 . 1 . . . . A 62 ASP CA . 30529 1 689 . 1 1 62 62 ASP CB C 13 40.7000 0.0000 . 1 . . . . A 62 ASP CB . 30529 1 690 . 1 1 62 62 ASP N N 15 119.3800 0.0000 . 1 . . . . A 62 ASP N . 30529 1 691 . 1 1 63 63 GLU H H 1 7.5800 0.0000 . 1 . . . . A 63 GLU H . 30529 1 692 . 1 1 63 63 GLU HA H 1 4.0400 0.0000 . 1 . . . . A 63 GLU HA . 30529 1 693 . 1 1 63 63 GLU HB2 H 1 2.2600 0.0000 . 2 . . . . A 63 GLU HB2 . 30529 1 694 . 1 1 63 63 GLU HB3 H 1 2.0600 0.0000 . 2 . . . . A 63 GLU HB3 . 30529 1 695 . 1 1 63 63 GLU HG2 H 1 2.4900 0.0000 . 2 . . . . A 63 GLU HG2 . 30529 1 696 . 1 1 63 63 GLU HG3 H 1 2.3000 0.0000 . 2 . . . . A 63 GLU HG3 . 30529 1 697 . 1 1 63 63 GLU CA C 13 58.9000 0.0000 . 1 . . . . A 63 GLU CA . 30529 1 698 . 1 1 63 63 GLU CB C 13 30.5100 0.0000 . 1 . . . . A 63 GLU CB . 30529 1 699 . 1 1 63 63 GLU CG C 13 36.6500 0.0000 . 1 . . . . A 63 GLU CG . 30529 1 700 . 1 1 63 63 GLU N N 15 116.2000 0.0000 . 1 . . . . A 63 GLU N . 30529 1 701 . 1 1 64 64 VAL H H 1 7.2240 0.0000 . 1 . . . . A 64 VAL H . 30529 1 702 . 1 1 64 64 VAL HA H 1 4.4520 0.0000 . 1 . . . . A 64 VAL HA . 30529 1 703 . 1 1 64 64 VAL HB H 1 2.3300 0.0000 . 1 . . . . A 64 VAL HB . 30529 1 704 . 1 1 64 64 VAL HG11 H 1 0.7400 0.0000 . 1 . . . . A 64 VAL HG11 . 30529 1 705 . 1 1 64 64 VAL HG12 H 1 0.7400 0.0000 . 1 . . . . A 64 VAL HG12 . 30529 1 706 . 1 1 64 64 VAL HG13 H 1 0.7400 0.0000 . 1 . . . . A 64 VAL HG13 . 30529 1 707 . 1 1 64 64 VAL HG21 H 1 0.9010 0.0000 . 1 . . . . A 64 VAL HG21 . 30529 1 708 . 1 1 64 64 VAL HG22 H 1 0.9010 0.0000 . 1 . . . . A 64 VAL HG22 . 30529 1 709 . 1 1 64 64 VAL HG23 H 1 0.9010 0.0000 . 1 . . . . A 64 VAL HG23 . 30529 1 710 . 1 1 64 64 VAL CA C 13 60.6500 0.0000 . 1 . . . . A 64 VAL CA . 30529 1 711 . 1 1 64 64 VAL CB C 13 32.7200 0.0000 . 1 . . . . A 64 VAL CB . 30529 1 712 . 1 1 64 64 VAL CG1 C 13 22.1000 0.0000 . 1 . . . . A 64 VAL CG1 . 30529 1 713 . 1 1 64 64 VAL CG2 C 13 20.4900 0.0000 . 1 . . . . A 64 VAL CG2 . 30529 1 714 . 1 1 64 64 VAL N N 15 109.0700 0.0000 . 1 . . . . A 64 VAL N . 30529 1 715 . 1 1 65 65 ASP H H 1 7.6700 0.0000 . 1 . . . . A 65 ASP H . 30529 1 716 . 1 1 65 65 ASP HA H 1 4.5750 0.0000 . 1 . . . . A 65 ASP HA . 30529 1 717 . 1 1 65 65 ASP HB2 H 1 2.5200 0.0000 . 2 . . . . A 65 ASP HB2 . 30529 1 718 . 1 1 65 65 ASP HB3 H 1 2.7900 0.0000 . 2 . . . . A 65 ASP HB3 . 30529 1 719 . 1 1 65 65 ASP CA C 13 53.4000 0.0000 . 1 . . . . A 65 ASP CA . 30529 1 720 . 1 1 65 65 ASP CB C 13 40.8300 0.0000 . 1 . . . . A 65 ASP CB . 30529 1 721 . 1 1 65 65 ASP N N 15 121.9000 0.0000 . 1 . . . . A 65 ASP N . 30529 1 722 . 1 1 66 66 GLU H H 1 8.2800 0.0000 . 1 . . . . A 66 GLU H . 30529 1 723 . 1 1 66 66 GLU HA H 1 4.2060 0.0000 . 1 . . . . A 66 GLU HA . 30529 1 724 . 1 1 66 66 GLU HB2 H 1 2.0660 0.0000 . 2 . . . . A 66 GLU HB2 . 30529 1 725 . 1 1 66 66 GLU HB3 H 1 2.2000 0.0000 . 2 . . . . A 66 GLU HB3 . 30529 1 726 . 1 1 66 66 GLU HG2 H 1 2.3850 0.0000 . 2 . . . . A 66 GLU HG2 . 30529 1 727 . 1 1 66 66 GLU HG3 H 1 2.3000 0.0000 . 2 . . . . A 66 GLU HG3 . 30529 1 728 . 1 1 66 66 GLU CA C 13 58.2500 0.0000 . 1 . . . . A 66 GLU CA . 30529 1 729 . 1 1 66 66 GLU CB C 13 30.9500 0.0000 . 1 . . . . A 66 GLU CB . 30529 1 730 . 1 1 66 66 GLU CG C 13 36.1400 0.0000 . 1 . . . . A 66 GLU CG . 30529 1 731 . 1 1 66 66 GLU N N 15 128.0100 0.0000 . 1 . . . . A 66 GLU N . 30529 1 732 . 1 1 67 67 ASP H H 1 8.0400 0.0000 . 1 . . . . A 67 ASP H . 30529 1 733 . 1 1 67 67 ASP HA H 1 4.7300 0.0000 . 1 . . . . A 67 ASP HA . 30529 1 734 . 1 1 67 67 ASP HB2 H 1 2.7450 0.0000 . 2 . . . . A 67 ASP HB2 . 30529 1 735 . 1 1 67 67 ASP HB3 H 1 3.1400 0.0000 . 2 . . . . A 67 ASP HB3 . 30529 1 736 . 1 1 67 67 ASP CA C 13 52.5000 0.0000 . 1 . . . . A 67 ASP CA . 30529 1 737 . 1 1 67 67 ASP CB C 13 40.3000 0.0000 . 1 . . . . A 67 ASP CB . 30529 1 738 . 1 1 67 67 ASP N N 15 114.8000 0.0000 . 1 . . . . A 67 ASP N . 30529 1 739 . 1 1 68 68 GLY H H 1 7.7350 0.0000 . 1 . . . . A 68 GLY H . 30529 1 740 . 1 1 68 68 GLY HA2 H 1 3.7900 0.0000 . 2 . . . . A 68 GLY HA2 . 30529 1 741 . 1 1 68 68 GLY HA3 H 1 3.9100 0.0000 . 2 . . . . A 68 GLY HA3 . 30529 1 742 . 1 1 68 68 GLY CA C 13 46.9000 0.0000 . 1 . . . . A 68 GLY CA . 30529 1 743 . 1 1 68 68 GLY N N 15 109.0000 0.0000 . 1 . . . . A 68 GLY N . 30529 1 744 . 1 1 69 69 SER H H 1 8.5300 0.0000 . 1 . . . . A 69 SER H . 30529 1 745 . 1 1 69 69 SER HA H 1 4.2270 0.0000 . 1 . . . . A 69 SER HA . 30529 1 746 . 1 1 69 69 SER HB2 H 1 4.0330 0.0000 . 2 . . . . A 69 SER HB2 . 30529 1 747 . 1 1 69 69 SER HB3 H 1 4.2150 0.0000 . 2 . . . . A 69 SER HB3 . 30529 1 748 . 1 1 69 69 SER CA C 13 60.0700 0.0000 . 1 . . . . A 69 SER CA . 30529 1 749 . 1 1 69 69 SER CB C 13 64.6600 0.0000 . 1 . . . . A 69 SER CB . 30529 1 750 . 1 1 69 69 SER N N 15 116.8600 0.0000 . 1 . . . . A 69 SER N . 30529 1 751 . 1 1 70 70 GLY H H 1 10.7600 0.0000 . 1 . . . . A 70 GLY H . 30529 1 752 . 1 1 70 70 GLY HA2 H 1 3.5300 0.0000 . 2 . . . . A 70 GLY HA2 . 30529 1 753 . 1 1 70 70 GLY HA3 H 1 4.2500 0.0000 . 2 . . . . A 70 GLY HA3 . 30529 1 754 . 1 1 70 70 GLY CA C 13 45.4900 0.0000 . 1 . . . . A 70 GLY CA . 30529 1 755 . 1 1 70 70 GLY N N 15 116.3000 0.0000 . 1 . . . . A 70 GLY N . 30529 1 756 . 1 1 71 71 THR H H 1 7.6100 0.0000 . 1 . . . . A 71 THR H . 30529 1 757 . 1 1 71 71 THR HA H 1 4.9870 0.0000 . 1 . . . . A 71 THR HA . 30529 1 758 . 1 1 71 71 THR HB H 1 3.9000 0.0000 . 1 . . . . A 71 THR HB . 30529 1 759 . 1 1 71 71 THR HG21 H 1 1.0680 0.0000 . 1 . . . . A 71 THR HG21 . 30529 1 760 . 1 1 71 71 THR HG22 H 1 1.0680 0.0000 . 1 . . . . A 71 THR HG22 . 30529 1 761 . 1 1 71 71 THR HG23 H 1 1.0680 0.0000 . 1 . . . . A 71 THR HG23 . 30529 1 762 . 1 1 71 71 THR CA C 13 58.1000 0.0000 . 1 . . . . A 71 THR CA . 30529 1 763 . 1 1 71 71 THR CB C 13 73.6000 0.0000 . 1 . . . . A 71 THR CB . 30529 1 764 . 1 1 71 71 THR CG2 C 13 22.5000 0.0000 . 1 . . . . A 71 THR CG2 . 30529 1 765 . 1 1 71 71 THR N N 15 107.2900 0.0000 . 1 . . . . A 71 THR N . 30529 1 766 . 1 1 72 72 VAL H H 1 9.7500 0.0000 . 1 . . . . A 72 VAL H . 30529 1 767 . 1 1 72 72 VAL HA H 1 5.0440 0.0000 . 1 . . . . A 72 VAL HA . 30529 1 768 . 1 1 72 72 VAL HB H 1 2.2700 0.0000 . 1 . . . . A 72 VAL HB . 30529 1 769 . 1 1 72 72 VAL HG11 H 1 1.2510 0.0000 . 1 . . . . A 72 VAL HG11 . 30529 1 770 . 1 1 72 72 VAL HG12 H 1 1.2510 0.0000 . 1 . . . . A 72 VAL HG12 . 30529 1 771 . 1 1 72 72 VAL HG13 H 1 1.2510 0.0000 . 1 . . . . A 72 VAL HG13 . 30529 1 772 . 1 1 72 72 VAL HG21 H 1 0.9800 0.0000 . 1 . . . . A 72 VAL HG21 . 30529 1 773 . 1 1 72 72 VAL HG22 H 1 0.9800 0.0000 . 1 . . . . A 72 VAL HG22 . 30529 1 774 . 1 1 72 72 VAL HG23 H 1 0.9800 0.0000 . 1 . . . . A 72 VAL HG23 . 30529 1 775 . 1 1 72 72 VAL CA C 13 61.5000 0.0000 . 1 . . . . A 72 VAL CA . 30529 1 776 . 1 1 72 72 VAL CB C 13 33.7400 0.0000 . 1 . . . . A 72 VAL CB . 30529 1 777 . 1 1 72 72 VAL CG1 C 13 21.5900 0.0000 . 1 . . . . A 72 VAL CG1 . 30529 1 778 . 1 1 72 72 VAL CG2 C 13 23.3200 0.0000 . 1 . . . . A 72 VAL CG2 . 30529 1 779 . 1 1 72 72 VAL N N 15 127.1600 0.0000 . 1 . . . . A 72 VAL N . 30529 1 780 . 1 1 73 73 ASP H H 1 8.8780 0.0000 . 1 . . . . A 73 ASP H . 30529 1 781 . 1 1 73 73 ASP HA H 1 5.1200 0.0000 . 1 . . . . A 73 ASP HA . 30529 1 782 . 1 1 73 73 ASP HB2 H 1 3.2550 0.0000 . 2 . . . . A 73 ASP HB2 . 30529 1 783 . 1 1 73 73 ASP HB3 H 1 2.6770 0.0000 . 2 . . . . A 73 ASP HB3 . 30529 1 784 . 1 1 73 73 ASP CA C 13 52.3200 0.0000 . 1 . . . . A 73 ASP CA . 30529 1 785 . 1 1 73 73 ASP CB C 13 41.7000 0.0000 . 1 . . . . A 73 ASP CB . 30529 1 786 . 1 1 73 73 ASP N N 15 129.0900 0.0000 . 1 . . . . A 73 ASP N . 30529 1 787 . 1 1 74 74 PHE H H 1 8.5500 0.0000 . 1 . . . . A 74 PHE H . 30529 1 788 . 1 1 74 74 PHE HA H 1 3.3600 0.0000 . 1 . . . . A 74 PHE HA . 30529 1 789 . 1 1 74 74 PHE HB2 H 1 2.2100 0.0000 . 2 . . . . A 74 PHE HB2 . 30529 1 790 . 1 1 74 74 PHE HB3 H 1 2.5100 0.0000 . 2 . . . . A 74 PHE HB3 . 30529 1 791 . 1 1 74 74 PHE HD1 H 1 6.7000 0.0000 . 3 . . . . A 74 PHE HD1 . 30529 1 792 . 1 1 74 74 PHE HE1 H 1 7.1600 0.0000 . 3 . . . . A 74 PHE HE1 . 30529 1 793 . 1 1 74 74 PHE HZ H 1 7.5300 0.0000 . 1 . . . . A 74 PHE HZ . 30529 1 794 . 1 1 74 74 PHE CA C 13 61.1500 0.0000 . 1 . . . . A 74 PHE CA . 30529 1 795 . 1 1 74 74 PHE CB C 13 38.5000 0.0000 . 1 . . . . A 74 PHE CB . 30529 1 796 . 1 1 74 74 PHE CD1 C 13 132.1100 0.0000 . 1 . . . . A 74 PHE CD1 . 30529 1 797 . 1 1 74 74 PHE CE1 C 13 130.2900 0.0000 . 1 . . . . A 74 PHE CE1 . 30529 1 798 . 1 1 74 74 PHE CZ C 13 129.5600 0.0000 . 1 . . . . A 74 PHE CZ . 30529 1 799 . 1 1 74 74 PHE N N 15 118.2600 0.0000 . 1 . . . . A 74 PHE N . 30529 1 800 . 1 1 75 75 ASP H H 1 7.6900 0.0000 . 1 . . . . A 75 ASP H . 30529 1 801 . 1 1 75 75 ASP HA H 1 3.9800 0.0000 . 1 . . . . A 75 ASP HA . 30529 1 802 . 1 1 75 75 ASP HB2 H 1 2.7000 0.0000 . 2 . . . . A 75 ASP HB2 . 30529 1 803 . 1 1 75 75 ASP HB3 H 1 2.5200 0.0000 . 2 . . . . A 75 ASP HB3 . 30529 1 804 . 1 1 75 75 ASP CA C 13 57.8000 0.0000 . 1 . . . . A 75 ASP CA . 30529 1 805 . 1 1 75 75 ASP CB C 13 40.2000 0.0000 . 1 . . . . A 75 ASP CB . 30529 1 806 . 1 1 75 75 ASP N N 15 118.0000 0.0000 . 1 . . . . A 75 ASP N . 30529 1 807 . 1 1 76 76 GLU H H 1 8.3410 0.0000 . 1 . . . . A 76 GLU H . 30529 1 808 . 1 1 76 76 GLU HA H 1 3.9590 0.0000 . 1 . . . . A 76 GLU HA . 30529 1 809 . 1 1 76 76 GLU HB2 H 1 2.4660 0.0000 . 2 . . . . A 76 GLU HB2 . 30529 1 810 . 1 1 76 76 GLU HB3 H 1 2.0350 0.0000 . 2 . . . . A 76 GLU HB3 . 30529 1 811 . 1 1 76 76 GLU HG2 H 1 2.9000 0.0000 . 2 . . . . A 76 GLU HG2 . 30529 1 812 . 1 1 76 76 GLU HG3 H 1 2.4600 0.0000 . 2 . . . . A 76 GLU HG3 . 30529 1 813 . 1 1 76 76 GLU CA C 13 58.2700 0.0000 . 1 . . . . A 76 GLU CA . 30529 1 814 . 1 1 76 76 GLU CB C 13 30.0000 0.0000 . 1 . . . . A 76 GLU CB . 30529 1 815 . 1 1 76 76 GLU CG C 13 36.8000 0.0000 . 1 . . . . A 76 GLU CG . 30529 1 816 . 1 1 76 76 GLU N N 15 120.1400 0.0000 . 1 . . . . A 76 GLU N . 30529 1 817 . 1 1 77 77 PHE H H 1 8.8800 0.0000 . 1 . . . . A 77 PHE H . 30529 1 818 . 1 1 77 77 PHE HA H 1 3.8400 0.0000 . 1 . . . . A 77 PHE HA . 30529 1 819 . 1 1 77 77 PHE HB2 H 1 3.3100 0.0000 . 2 . . . . A 77 PHE HB2 . 30529 1 820 . 1 1 77 77 PHE HB3 H 1 3.0900 0.0000 . 2 . . . . A 77 PHE HB3 . 30529 1 821 . 1 1 77 77 PHE HD1 H 1 6.9700 0.0000 . 3 . . . . A 77 PHE HD1 . 30529 1 822 . 1 1 77 77 PHE HE1 H 1 7.3400 0.0000 . 3 . . . . A 77 PHE HE1 . 30529 1 823 . 1 1 77 77 PHE HZ H 1 7.2600 0.0000 . 1 . . . . A 77 PHE HZ . 30529 1 824 . 1 1 77 77 PHE CA C 13 60.8200 0.0000 . 1 . . . . A 77 PHE CA . 30529 1 825 . 1 1 77 77 PHE CB C 13 40.0000 0.0000 . 1 . . . . A 77 PHE CB . 30529 1 826 . 1 1 77 77 PHE CD1 C 13 131.7560 0.0000 . 1 . . . . A 77 PHE CD1 . 30529 1 827 . 1 1 77 77 PHE CE1 C 13 131.4980 0.0000 . 1 . . . . A 77 PHE CE1 . 30529 1 828 . 1 1 77 77 PHE CZ C 13 129.4100 0.0000 . 1 . . . . A 77 PHE CZ . 30529 1 829 . 1 1 77 77 PHE N N 15 123.3400 0.0000 . 1 . . . . A 77 PHE N . 30529 1 830 . 1 1 78 78 LEU H H 1 8.2400 0.0000 . 1 . . . . A 78 LEU H . 30529 1 831 . 1 1 78 78 LEU HA H 1 3.3030 0.0000 . 1 . . . . A 78 LEU HA . 30529 1 832 . 1 1 78 78 LEU HB2 H 1 1.0850 0.0000 . 2 . . . . A 78 LEU HB2 . 30529 1 833 . 1 1 78 78 LEU HB3 H 1 1.6250 0.0000 . 2 . . . . A 78 LEU HB3 . 30529 1 834 . 1 1 78 78 LEU HG H 1 1.0330 0.0000 . 1 . . . . A 78 LEU HG . 30529 1 835 . 1 1 78 78 LEU HD11 H 1 0.5740 0.0000 . 1 . . . . A 78 LEU HD11 . 30529 1 836 . 1 1 78 78 LEU HD12 H 1 0.5740 0.0000 . 1 . . . . A 78 LEU HD12 . 30529 1 837 . 1 1 78 78 LEU HD13 H 1 0.5740 0.0000 . 1 . . . . A 78 LEU HD13 . 30529 1 838 . 1 1 78 78 LEU HD21 H 1 0.6590 0.0000 . 1 . . . . A 78 LEU HD21 . 30529 1 839 . 1 1 78 78 LEU HD22 H 1 0.6590 0.0000 . 1 . . . . A 78 LEU HD22 . 30529 1 840 . 1 1 78 78 LEU HD23 H 1 0.6590 0.0000 . 1 . . . . A 78 LEU HD23 . 30529 1 841 . 1 1 78 78 LEU CA C 13 57.9300 0.0000 . 1 . . . . A 78 LEU CA . 30529 1 842 . 1 1 78 78 LEU CB C 13 41.4600 0.0000 . 1 . . . . A 78 LEU CB . 30529 1 843 . 1 1 78 78 LEU CG C 13 25.8000 0.0000 . 1 . . . . A 78 LEU CG . 30529 1 844 . 1 1 78 78 LEU CD1 C 13 25.7500 0.0000 . 1 . . . . A 78 LEU CD1 . 30529 1 845 . 1 1 78 78 LEU CD2 C 13 24.3500 0.0000 . 1 . . . . A 78 LEU CD2 . 30529 1 846 . 1 1 78 78 LEU N N 15 119.5000 0.0000 . 1 . . . . A 78 LEU N . 30529 1 847 . 1 1 79 79 VAL H H 1 7.2600 0.0000 . 1 . . . . A 79 VAL H . 30529 1 848 . 1 1 79 79 VAL HA H 1 3.2140 0.0000 . 1 . . . . A 79 VAL HA . 30529 1 849 . 1 1 79 79 VAL HB H 1 2.0800 0.0000 . 1 . . . . A 79 VAL HB . 30529 1 850 . 1 1 79 79 VAL HG11 H 1 0.6300 0.0000 . 1 . . . . A 79 VAL HG11 . 30529 1 851 . 1 1 79 79 VAL HG12 H 1 0.6300 0.0000 . 1 . . . . A 79 VAL HG12 . 30529 1 852 . 1 1 79 79 VAL HG13 H 1 0.6300 0.0000 . 1 . . . . A 79 VAL HG13 . 30529 1 853 . 1 1 79 79 VAL HG21 H 1 0.9600 0.0000 . 1 . . . . A 79 VAL HG21 . 30529 1 854 . 1 1 79 79 VAL HG22 H 1 0.9600 0.0000 . 1 . . . . A 79 VAL HG22 . 30529 1 855 . 1 1 79 79 VAL HG23 H 1 0.9600 0.0000 . 1 . . . . A 79 VAL HG23 . 30529 1 856 . 1 1 79 79 VAL CA C 13 66.7000 0.0000 . 1 . . . . A 79 VAL CA . 30529 1 857 . 1 1 79 79 VAL CB C 13 31.1000 0.0000 . 1 . . . . A 79 VAL CB . 30529 1 858 . 1 1 79 79 VAL CG1 C 13 21.6400 0.0000 . 1 . . . . A 79 VAL CG1 . 30529 1 859 . 1 1 79 79 VAL CG2 C 13 23.5000 0.0000 . 1 . . . . A 79 VAL CG2 . 30529 1 860 . 1 1 79 79 VAL N N 15 117.8000 0.0000 . 1 . . . . A 79 VAL N . 30529 1 861 . 1 1 80 80 MET H H 1 7.6920 0.0000 . 1 . . . . A 80 MET H . 30529 1 862 . 1 1 80 80 MET HA H 1 3.5480 0.0000 . 1 . . . . A 80 MET HA . 30529 1 863 . 1 1 80 80 MET HB2 H 1 1.7200 0.0000 . 2 . . . . A 80 MET HB2 . 30529 1 864 . 1 1 80 80 MET HB3 H 1 1.8400 0.0000 . 2 . . . . A 80 MET HB3 . 30529 1 865 . 1 1 80 80 MET HG2 H 1 2.1250 0.0000 . 2 . . . . A 80 MET HG2 . 30529 1 866 . 1 1 80 80 MET HG3 H 1 2.4750 0.0000 . 2 . . . . A 80 MET HG3 . 30529 1 867 . 1 1 80 80 MET HE1 H 1 1.2900 0.0000 . 1 . . . . A 80 MET HE1 . 30529 1 868 . 1 1 80 80 MET HE2 H 1 1.2900 0.0000 . 1 . . . . A 80 MET HE2 . 30529 1 869 . 1 1 80 80 MET HE3 H 1 1.2900 0.0000 . 1 . . . . A 80 MET HE3 . 30529 1 870 . 1 1 80 80 MET CA C 13 59.0000 0.0000 . 1 . . . . A 80 MET CA . 30529 1 871 . 1 1 80 80 MET CB C 13 32.1000 0.0000 . 1 . . . . A 80 MET CB . 30529 1 872 . 1 1 80 80 MET CG C 13 31.9500 0.0000 . 1 . . . . A 80 MET CG . 30529 1 873 . 1 1 80 80 MET CE C 13 17.3000 0.0000 . 1 . . . . A 80 MET CE . 30529 1 874 . 1 1 80 80 MET N N 15 119.5300 0.0000 . 1 . . . . A 80 MET N . 30529 1 875 . 1 1 81 81 MET H H 1 7.8800 0.0000 . 1 . . . . A 81 MET H . 30529 1 876 . 1 1 81 81 MET HA H 1 3.9500 0.0000 . 1 . . . . A 81 MET HA . 30529 1 877 . 1 1 81 81 MET HB2 H 1 1.0300 0.0000 . 2 . . . . A 81 MET HB2 . 30529 1 878 . 1 1 81 81 MET HB3 H 1 1.4200 0.0000 . 2 . . . . A 81 MET HB3 . 30529 1 879 . 1 1 81 81 MET HG2 H 1 1.4600 0.0000 . 2 . . . . A 81 MET HG2 . 30529 1 880 . 1 1 81 81 MET HG3 H 1 1.1230 0.0000 . 2 . . . . A 81 MET HG3 . 30529 1 881 . 1 1 81 81 MET HE1 H 1 1.5200 0.0000 . 1 . . . . A 81 MET HE1 . 30529 1 882 . 1 1 81 81 MET HE2 H 1 1.5200 0.0000 . 1 . . . . A 81 MET HE2 . 30529 1 883 . 1 1 81 81 MET HE3 H 1 1.5200 0.0000 . 1 . . . . A 81 MET HE3 . 30529 1 884 . 1 1 81 81 MET CA C 13 56.3400 0.0000 . 1 . . . . A 81 MET CA . 30529 1 885 . 1 1 81 81 MET CB C 13 31.4000 0.0000 . 1 . . . . A 81 MET CB . 30529 1 886 . 1 1 81 81 MET CG C 13 31.5000 0.0000 . 1 . . . . A 81 MET CG . 30529 1 887 . 1 1 81 81 MET CE C 13 17.8000 0.0000 . 1 . . . . A 81 MET CE . 30529 1 888 . 1 1 81 81 MET N N 15 117.4800 0.0000 . 1 . . . . A 81 MET N . 30529 1 889 . 1 1 82 82 VAL H H 1 8.1300 0.0000 . 1 . . . . A 82 VAL H . 30529 1 890 . 1 1 82 82 VAL HA H 1 3.8770 0.0000 . 1 . . . . A 82 VAL HA . 30529 1 891 . 1 1 82 82 VAL HB H 1 2.1340 0.0000 . 1 . . . . A 82 VAL HB . 30529 1 892 . 1 1 82 82 VAL HG11 H 1 0.9330 0.0000 . 1 . . . . A 82 VAL HG11 . 30529 1 893 . 1 1 82 82 VAL HG12 H 1 0.9330 0.0000 . 1 . . . . A 82 VAL HG12 . 30529 1 894 . 1 1 82 82 VAL HG13 H 1 0.9330 0.0000 . 1 . . . . A 82 VAL HG13 . 30529 1 895 . 1 1 82 82 VAL HG21 H 1 1.0330 0.0000 . 1 . . . . A 82 VAL HG21 . 30529 1 896 . 1 1 82 82 VAL HG22 H 1 1.0330 0.0000 . 1 . . . . A 82 VAL HG22 . 30529 1 897 . 1 1 82 82 VAL HG23 H 1 1.0330 0.0000 . 1 . . . . A 82 VAL HG23 . 30529 1 898 . 1 1 82 82 VAL CA C 13 65.6500 0.0000 . 1 . . . . A 82 VAL CA . 30529 1 899 . 1 1 82 82 VAL CB C 13 31.4000 0.0000 . 1 . . . . A 82 VAL CB . 30529 1 900 . 1 1 82 82 VAL CG1 C 13 21.7600 0.0000 . 1 . . . . A 82 VAL CG1 . 30529 1 901 . 1 1 82 82 VAL CG2 C 13 22.2400 0.0000 . 1 . . . . A 82 VAL CG2 . 30529 1 902 . 1 1 82 82 VAL N N 15 118.2100 0.0000 . 1 . . . . A 82 VAL N . 30529 1 903 . 1 1 83 83 ARG H H 1 8.2310 0.0000 . 1 . . . . A 83 ARG H . 30529 1 904 . 1 1 83 83 ARG HA H 1 3.8550 0.0000 . 1 . . . . A 83 ARG HA . 30529 1 905 . 1 1 83 83 ARG HB2 H 1 1.6600 0.0000 . 2 . . . . A 83 ARG HB2 . 30529 1 906 . 1 1 83 83 ARG HB3 H 1 1.5600 0.0000 . 2 . . . . A 83 ARG HB3 . 30529 1 907 . 1 1 83 83 ARG HG2 H 1 1.1100 0.0000 . 2 . . . . A 83 ARG HG2 . 30529 1 908 . 1 1 83 83 ARG HG3 H 1 1.4500 0.0000 . 2 . . . . A 83 ARG HG3 . 30529 1 909 . 1 1 83 83 ARG HD2 H 1 2.7300 0.0000 . 2 . . . . A 83 ARG HD2 . 30529 1 910 . 1 1 83 83 ARG HD3 H 1 2.7300 0.0000 . 2 . . . . A 83 ARG HD3 . 30529 1 911 . 1 1 83 83 ARG CA C 13 59.0000 0.0000 . 1 . . . . A 83 ARG CA . 30529 1 912 . 1 1 83 83 ARG CB C 13 30.1000 0.0000 . 1 . . . . A 83 ARG CB . 30529 1 913 . 1 1 83 83 ARG CG C 13 27.6000 0.0000 . 1 . . . . A 83 ARG CG . 30529 1 914 . 1 1 83 83 ARG CD C 13 43.6400 0.0000 . 1 . . . . A 83 ARG CD . 30529 1 915 . 1 1 83 83 ARG N N 15 120.4000 0.0000 . 1 . . . . A 83 ARG N . 30529 1 916 . 1 1 84 84 SER H H 1 7.7400 0.0000 . 1 . . . . A 84 SER H . 30529 1 917 . 1 1 84 84 SER HA H 1 4.3100 0.0000 . 1 . . . . A 84 SER HA . 30529 1 918 . 1 1 84 84 SER HB2 H 1 3.9000 0.0000 . 2 . . . . A 84 SER HB2 . 30529 1 919 . 1 1 84 84 SER HB3 H 1 3.9000 0.0000 . 2 . . . . A 84 SER HB3 . 30529 1 920 . 1 1 84 84 SER CA C 13 60.3000 0.0000 . 1 . . . . A 84 SER CA . 30529 1 921 . 1 1 84 84 SER CB C 13 63.3100 0.0000 . 1 . . . . A 84 SER CB . 30529 1 922 . 1 1 84 84 SER N N 15 113.9000 0.0000 . 1 . . . . A 84 SER N . 30529 1 923 . 1 1 85 85 MET H H 1 7.8590 0.0000 . 1 . . . . A 85 MET H . 30529 1 924 . 1 1 85 85 MET HA H 1 4.3400 0.0000 . 1 . . . . A 85 MET HA . 30529 1 925 . 1 1 85 85 MET HB2 H 1 2.2680 0.0000 . 2 . . . . A 85 MET HB2 . 30529 1 926 . 1 1 85 85 MET HB3 H 1 2.1560 0.0000 . 2 . . . . A 85 MET HB3 . 30529 1 927 . 1 1 85 85 MET HG2 H 1 2.8490 0.0000 . 2 . . . . A 85 MET HG2 . 30529 1 928 . 1 1 85 85 MET HG3 H 1 2.6540 0.0000 . 2 . . . . A 85 MET HG3 . 30529 1 929 . 1 1 85 85 MET HE1 H 1 2.0750 0.0000 . 1 . . . . A 85 MET HE1 . 30529 1 930 . 1 1 85 85 MET HE2 H 1 2.0750 0.0000 . 1 . . . . A 85 MET HE2 . 30529 1 931 . 1 1 85 85 MET HE3 H 1 2.0750 0.0000 . 1 . . . . A 85 MET HE3 . 30529 1 932 . 1 1 85 85 MET CA C 13 57.3000 0.0000 . 1 . . . . A 85 MET CA . 30529 1 933 . 1 1 85 85 MET CB C 13 34.0350 0.0000 . 1 . . . . A 85 MET CB . 30529 1 934 . 1 1 85 85 MET CG C 13 32.2500 0.0000 . 1 . . . . A 85 MET CG . 30529 1 935 . 1 1 85 85 MET CE C 13 16.9500 0.0000 . 1 . . . . A 85 MET CE . 30529 1 936 . 1 1 85 85 MET N N 15 120.4000 0.0000 . 1 . . . . A 85 MET N . 30529 1 937 . 1 1 86 86 LYS H H 1 7.8510 0.0000 . 1 . . . . A 86 LYS H . 30529 1 938 . 1 1 86 86 LYS HA H 1 4.3700 0.0000 . 1 . . . . A 86 LYS HA . 30529 1 939 . 1 1 86 86 LYS HB2 H 1 1.8820 0.0000 . 2 . . . . A 86 LYS HB2 . 30529 1 940 . 1 1 86 86 LYS HB3 H 1 1.9430 0.0000 . 2 . . . . A 86 LYS HB3 . 30529 1 941 . 1 1 86 86 LYS CA C 13 56.7970 0.0000 . 1 . . . . A 86 LYS CA . 30529 1 942 . 1 1 86 86 LYS CB C 13 32.9210 0.0000 . 1 . . . . A 86 LYS CB . 30529 1 943 . 1 1 86 86 LYS CG C 13 24.7660 0.0000 . 1 . . . . A 86 LYS CG . 30529 1 944 . 1 1 86 86 LYS CD C 13 28.9060 0.0000 . 1 . . . . A 86 LYS CD . 30529 1 945 . 1 1 86 86 LYS N N 15 119.4500 0.0000 . 1 . . . . A 86 LYS N . 30529 1 946 . 1 1 87 87 ASP H H 1 8.2560 0.0000 . 1 . . . . A 87 ASP H . 30529 1 947 . 1 1 87 87 ASP HA H 1 4.6300 0.0000 . 1 . . . . A 87 ASP HA . 30529 1 948 . 1 1 87 87 ASP HB2 H 1 2.7700 0.0000 . 2 . . . . A 87 ASP HB2 . 30529 1 949 . 1 1 87 87 ASP HB3 H 1 2.7700 0.0000 . 2 . . . . A 87 ASP HB3 . 30529 1 950 . 1 1 87 87 ASP CA C 13 54.7000 0.0000 . 1 . . . . A 87 ASP CA . 30529 1 951 . 1 1 87 87 ASP CB C 13 41.2000 0.0000 . 1 . . . . A 87 ASP CB . 30529 1 952 . 1 1 87 87 ASP N N 15 121.4910 0.0000 . 1 . . . . A 87 ASP N . 30529 1 953 . 1 1 88 88 ASP H H 1 8.3100 0.0000 . 1 . . . . A 88 ASP H . 30529 1 954 . 1 1 88 88 ASP HA H 1 4.6920 0.0000 . 1 . . . . A 88 ASP HA . 30529 1 955 . 1 1 88 88 ASP HB2 H 1 2.7300 0.0000 . 2 . . . . A 88 ASP HB2 . 30529 1 956 . 1 1 88 88 ASP HB3 H 1 2.7300 0.0000 . 2 . . . . A 88 ASP HB3 . 30529 1 957 . 1 1 88 88 ASP CA C 13 54.4880 0.0000 . 1 . . . . A 88 ASP CA . 30529 1 958 . 1 1 88 88 ASP CB C 13 41.2200 0.0000 . 1 . . . . A 88 ASP CB . 30529 1 959 . 1 1 88 88 ASP N N 15 122.1300 0.0000 . 1 . . . . A 88 ASP N . 30529 1 960 . 1 1 89 89 SER H H 1 8.3160 0.0000 . 1 . . . . A 89 SER H . 30529 1 961 . 1 1 89 89 SER HA H 1 4.3580 0.0000 . 1 . . . . A 89 SER HA . 30529 1 962 . 1 1 89 89 SER HB2 H 1 3.9600 0.0000 . 2 . . . . A 89 SER HB2 . 30529 1 963 . 1 1 89 89 SER HB3 H 1 3.9600 0.0000 . 2 . . . . A 89 SER HB3 . 30529 1 964 . 1 1 89 89 SER CA C 13 59.4700 0.0000 . 1 . . . . A 89 SER CA . 30529 1 965 . 1 1 89 89 SER CB C 13 63.5600 0.0000 . 1 . . . . A 89 SER CB . 30529 1 966 . 1 1 89 89 SER N N 15 116.2000 0.0000 . 1 . . . . A 89 SER N . 30529 1 967 . 1 1 90 90 LYS H H 1 8.1750 0.0000 . 1 . . . . A 90 LYS H . 30529 1 968 . 1 1 90 90 LYS HA H 1 4.3240 0.0000 . 1 . . . . A 90 LYS HA . 30529 1 969 . 1 1 90 90 LYS HB2 H 1 1.9200 0.0000 . 2 . . . . A 90 LYS HB2 . 30529 1 970 . 1 1 90 90 LYS HB3 H 1 1.8400 0.0000 . 2 . . . . A 90 LYS HB3 . 30529 1 971 . 1 1 90 90 LYS HG2 H 1 1.4800 0.0000 . 2 . . . . A 90 LYS HG2 . 30529 1 972 . 1 1 90 90 LYS HG3 H 1 1.4800 0.0000 . 2 . . . . A 90 LYS HG3 . 30529 1 973 . 1 1 90 90 LYS HD2 H 1 1.6800 0.0000 . 2 . . . . A 90 LYS HD2 . 30529 1 974 . 1 1 90 90 LYS HD3 H 1 1.6800 0.0000 . 2 . . . . A 90 LYS HD3 . 30529 1 975 . 1 1 90 90 LYS HE2 H 1 2.9900 0.0000 . 2 . . . . A 90 LYS HE2 . 30529 1 976 . 1 1 90 90 LYS HE3 H 1 2.9900 0.0000 . 2 . . . . A 90 LYS HE3 . 30529 1 977 . 1 1 90 90 LYS CA C 13 56.4800 0.0000 . 1 . . . . A 90 LYS CA . 30529 1 978 . 1 1 90 90 LYS CB C 13 32.7600 0.0000 . 1 . . . . A 90 LYS CB . 30529 1 979 . 1 1 90 90 LYS CG C 13 24.7700 0.0000 . 1 . . . . A 90 LYS CG . 30529 1 980 . 1 1 90 90 LYS CD C 13 28.9000 0.0000 . 1 . . . . A 90 LYS CD . 30529 1 981 . 1 1 90 90 LYS CE C 13 41.9000 0.0000 . 1 . . . . A 90 LYS CE . 30529 1 982 . 1 1 90 90 LYS N N 15 121.2500 0.0000 . 1 . . . . A 90 LYS N . 30529 1 983 . 1 1 91 91 GLY H H 1 8.2300 0.0000 . 1 . . . . A 136 GLY H . 30529 1 984 . 1 1 91 91 GLY HA2 H 1 3.9250 0.0000 . 2 . . . . A 136 GLY HA2 . 30529 1 985 . 1 1 91 91 GLY HA3 H 1 3.9250 0.0000 . 2 . . . . A 136 GLY HA3 . 30529 1 986 . 1 1 91 91 GLY CA C 13 45.4800 0.0000 . 1 . . . . A 136 GLY CA . 30529 1 987 . 1 1 91 91 GLY N N 15 108.9000 0.0000 . 1 . . . . A 136 GLY N . 30529 1 988 . 1 1 92 92 LYS H H 1 8.0600 0.0000 . 1 . . . . A 137 LYS H . 30529 1 989 . 1 1 92 92 LYS HA H 1 4.1760 0.0000 . 1 . . . . A 137 LYS HA . 30529 1 990 . 1 1 92 92 LYS HB2 H 1 1.6180 0.0000 . 2 . . . . A 137 LYS HB2 . 30529 1 991 . 1 1 92 92 LYS HB3 H 1 1.6180 0.0000 . 2 . . . . A 137 LYS HB3 . 30529 1 992 . 1 1 92 92 LYS HG2 H 1 1.2000 0.0000 . 2 . . . . A 137 LYS HG2 . 30529 1 993 . 1 1 92 92 LYS HG3 H 1 1.2400 0.0000 . 2 . . . . A 137 LYS HG3 . 30529 1 994 . 1 1 92 92 LYS HD2 H 1 1.5900 0.0000 . 2 . . . . A 137 LYS HD2 . 30529 1 995 . 1 1 92 92 LYS HD3 H 1 1.5900 0.0000 . 2 . . . . A 137 LYS HD3 . 30529 1 996 . 1 1 92 92 LYS HE2 H 1 2.9250 0.0000 . 2 . . . . A 137 LYS HE2 . 30529 1 997 . 1 1 92 92 LYS HE3 H 1 2.9250 0.0000 . 2 . . . . A 137 LYS HE3 . 30529 1 998 . 1 1 92 92 LYS CA C 13 56.6400 0.0000 . 1 . . . . A 137 LYS CA . 30529 1 999 . 1 1 92 92 LYS CB C 13 32.7900 0.0000 . 1 . . . . A 137 LYS CB . 30529 1 1000 . 1 1 92 92 LYS CG C 13 24.6000 0.0000 . 1 . . . . A 137 LYS CG . 30529 1 1001 . 1 1 92 92 LYS CD C 13 28.9100 0.0000 . 1 . . . . A 137 LYS CD . 30529 1 1002 . 1 1 92 92 LYS CE C 13 41.8800 0.0000 . 1 . . . . A 137 LYS CE . 30529 1 1003 . 1 1 92 92 LYS N N 15 120.5300 0.0000 . 1 . . . . A 137 LYS N . 30529 1 1004 . 1 1 93 93 PHE H H 1 8.1240 0.0000 . 1 . . . . A 138 PHE H . 30529 1 1005 . 1 1 93 93 PHE HA H 1 4.6450 0.0000 . 1 . . . . A 138 PHE HA . 30529 1 1006 . 1 1 93 93 PHE HB2 H 1 3.2040 0.0000 . 2 . . . . A 138 PHE HB2 . 30529 1 1007 . 1 1 93 93 PHE HB3 H 1 2.9700 0.0000 . 2 . . . . A 138 PHE HB3 . 30529 1 1008 . 1 1 93 93 PHE HD1 H 1 7.2500 0.0000 . 3 . . . . A 138 PHE HD1 . 30529 1 1009 . 1 1 93 93 PHE HD2 H 1 7.2600 0.0000 . 1 . . . . A 138 PHE HD2 . 30529 1 1010 . 1 1 93 93 PHE CA C 13 57.2800 0.0000 . 1 . . . . A 138 PHE CA . 30529 1 1011 . 1 1 93 93 PHE CB C 13 39.4700 0.0000 . 1 . . . . A 138 PHE CB . 30529 1 1012 . 1 1 93 93 PHE CD1 C 13 131.9360 0.0000 . 1 . . . . A 138 PHE CD1 . 30529 1 1013 . 1 1 93 93 PHE CD2 C 13 131.9360 0.0000 . 1 . . . . A 138 PHE CD2 . 30529 1 1014 . 1 1 93 93 PHE N N 15 119.3400 0.0000 . 1 . . . . A 138 PHE N . 30529 1 1015 . 1 1 94 94 LYS H H 1 8.2600 0.0000 . 1 . . . . A 139 LYS H . 30529 1 1016 . 1 1 94 94 LYS HA H 1 4.2630 0.0000 . 1 . . . . A 139 LYS HA . 30529 1 1017 . 1 1 94 94 LYS HB2 H 1 1.7470 0.0000 . 2 . . . . A 139 LYS HB2 . 30529 1 1018 . 1 1 94 94 LYS HB3 H 1 1.8130 0.0000 . 2 . . . . A 139 LYS HB3 . 30529 1 1019 . 1 1 94 94 LYS HG2 H 1 1.4100 0.0000 . 2 . . . . A 139 LYS HG2 . 30529 1 1020 . 1 1 94 94 LYS HG3 H 1 1.4100 0.0000 . 2 . . . . A 139 LYS HG3 . 30529 1 1021 . 1 1 94 94 LYS HD2 H 1 1.6700 0.0000 . 2 . . . . A 139 LYS HD2 . 30529 1 1022 . 1 1 94 94 LYS HD3 H 1 1.6700 0.0000 . 2 . . . . A 139 LYS HD3 . 30529 1 1023 . 1 1 94 94 LYS HE2 H 1 3.0000 0.0000 . 2 . . . . A 139 LYS HE2 . 30529 1 1024 . 1 1 94 94 LYS HE3 H 1 3.0000 0.0000 . 2 . . . . A 139 LYS HE3 . 30529 1 1025 . 1 1 94 94 LYS CA C 13 56.4000 0.0000 . 1 . . . . A 139 LYS CA . 30529 1 1026 . 1 1 94 94 LYS CB C 13 32.9400 0.0000 . 1 . . . . A 139 LYS CB . 30529 1 1027 . 1 1 94 94 LYS CG C 13 24.7900 0.0000 . 1 . . . . A 139 LYS CG . 30529 1 1028 . 1 1 94 94 LYS CD C 13 28.9000 0.0000 . 1 . . . . A 139 LYS CD . 30529 1 1029 . 1 1 94 94 LYS CE C 13 41.9000 0.0000 . 1 . . . . A 139 LYS CE . 30529 1 1030 . 1 1 94 94 LYS N N 15 122.5000 0.0000 . 1 . . . . A 139 LYS N . 30529 1 1031 . 1 1 95 95 ARG H H 1 8.2400 0.0000 . 1 . . . . A 140 ARG H . 30529 1 1032 . 1 1 95 95 ARG HA H 1 4.6050 0.0000 . 1 . . . . A 140 ARG HA . 30529 1 1033 . 1 1 95 95 ARG HB2 H 1 1.7700 0.0000 . 2 . . . . A 140 ARG HB2 . 30529 1 1034 . 1 1 95 95 ARG HB3 H 1 1.8700 0.0000 . 2 . . . . A 140 ARG HB3 . 30529 1 1035 . 1 1 95 95 ARG HG2 H 1 1.7000 0.0000 . 2 . . . . A 140 ARG HG2 . 30529 1 1036 . 1 1 95 95 ARG HG3 H 1 1.7000 0.0000 . 2 . . . . A 140 ARG HG3 . 30529 1 1037 . 1 1 95 95 ARG HD2 H 1 3.2100 0.0000 . 2 . . . . A 140 ARG HD2 . 30529 1 1038 . 1 1 95 95 ARG HD3 H 1 3.2100 0.0000 . 2 . . . . A 140 ARG HD3 . 30529 1 1039 . 1 1 95 95 ARG CA C 13 53.9300 0.0000 . 1 . . . . A 140 ARG CA . 30529 1 1040 . 1 1 95 95 ARG CB C 13 30.2400 0.0000 . 1 . . . . A 140 ARG CB . 30529 1 1041 . 1 1 95 95 ARG CG C 13 27.0600 0.0000 . 1 . . . . A 140 ARG CG . 30529 1 1042 . 1 1 95 95 ARG CD C 13 43.3200 0.0000 . 1 . . . . A 140 ARG CD . 30529 1 1043 . 1 1 95 95 ARG N N 15 122.4400 0.0000 . 1 . . . . A 140 ARG N . 30529 1 1044 . 1 1 96 96 PRO HA H 1 4.4600 0.0000 . 1 . . . . A 141 PRO HA . 30529 1 1045 . 1 1 96 96 PRO HB2 H 1 2.3070 0.0000 . 2 . . . . A 141 PRO HB2 . 30529 1 1046 . 1 1 96 96 PRO HB3 H 1 1.9600 0.0000 . 2 . . . . A 141 PRO HB3 . 30529 1 1047 . 1 1 96 96 PRO HG2 H 1 2.0400 0.0000 . 2 . . . . A 141 PRO HG2 . 30529 1 1048 . 1 1 96 96 PRO HG3 H 1 2.0400 0.0000 . 2 . . . . A 141 PRO HG3 . 30529 1 1049 . 1 1 96 96 PRO HD2 H 1 3.7010 0.0000 . 2 . . . . A 141 PRO HD2 . 30529 1 1050 . 1 1 96 96 PRO HD3 H 1 3.8200 0.0000 . 2 . . . . A 141 PRO HD3 . 30529 1 1051 . 1 1 96 96 PRO CA C 13 63.5800 0.0000 . 1 . . . . A 141 PRO CA . 30529 1 1052 . 1 1 96 96 PRO CB C 13 32.0800 0.0000 . 1 . . . . A 141 PRO CB . 30529 1 1053 . 1 1 96 96 PRO CG C 13 27.4700 0.0000 . 1 . . . . A 141 PRO CG . 30529 1 1054 . 1 1 96 96 PRO CD C 13 50.7150 0.0000 . 1 . . . . A 141 PRO CD . 30529 1 1055 . 1 1 97 97 THR H H 1 8.0600 0.0000 . 1 . . . . A 142 THR H . 30529 1 1056 . 1 1 97 97 THR HA H 1 4.2780 0.0000 . 1 . . . . A 142 THR HA . 30529 1 1057 . 1 1 97 97 THR HB H 1 4.2030 0.0000 . 1 . . . . A 142 THR HB . 30529 1 1058 . 1 1 97 97 THR HG21 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG21 . 30529 1 1059 . 1 1 97 97 THR HG22 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG22 . 30529 1 1060 . 1 1 97 97 THR HG23 H 1 1.2000 0.0000 . 1 . . . . A 142 THR HG23 . 30529 1 1061 . 1 1 97 97 THR CA C 13 62.0000 0.0000 . 1 . . . . A 142 THR CA . 30529 1 1062 . 1 1 97 97 THR CB C 13 69.5600 0.0000 . 1 . . . . A 142 THR CB . 30529 1 1063 . 1 1 97 97 THR CG2 C 13 21.7500 0.0000 . 1 . . . . A 142 THR CG2 . 30529 1 1064 . 1 1 97 97 THR N N 15 113.7900 0.0000 . 1 . . . . A 142 THR N . 30529 1 1065 . 1 1 98 98 LEU H H 1 8.1900 0.0000 . 1 . . . . A 143 LEU H . 30529 1 1066 . 1 1 98 98 LEU HA H 1 4.3400 0.0000 . 1 . . . . A 143 LEU HA . 30529 1 1067 . 1 1 98 98 LEU HB2 H 1 1.6100 0.0000 . 2 . . . . A 143 LEU HB2 . 30529 1 1068 . 1 1 98 98 LEU HB3 H 1 1.6100 0.0000 . 2 . . . . A 143 LEU HB3 . 30529 1 1069 . 1 1 98 98 LEU HG H 1 1.5800 0.0000 . 1 . . . . A 143 LEU HG . 30529 1 1070 . 1 1 98 98 LEU HD11 H 1 0.8750 0.0000 . 1 . . . . A 143 LEU HD11 . 30529 1 1071 . 1 1 98 98 LEU HD12 H 1 0.8750 0.0000 . 1 . . . . A 143 LEU HD12 . 30529 1 1072 . 1 1 98 98 LEU HD13 H 1 0.8750 0.0000 . 1 . . . . A 143 LEU HD13 . 30529 1 1073 . 1 1 98 98 LEU HD21 H 1 0.8350 0.0000 . 1 . . . . A 143 LEU HD21 . 30529 1 1074 . 1 1 98 98 LEU HD22 H 1 0.8350 0.0000 . 1 . . . . A 143 LEU HD22 . 30529 1 1075 . 1 1 98 98 LEU HD23 H 1 0.8350 0.0000 . 1 . . . . A 143 LEU HD23 . 30529 1 1076 . 1 1 98 98 LEU C C 13 177.0640 0.0000 . 1 . . . . A 143 LEU C . 30529 1 1077 . 1 1 98 98 LEU CB C 13 42.2600 0.0000 . 1 . . . . A 143 LEU CB . 30529 1 1078 . 1 1 98 98 LEU CG C 13 27.2000 0.0000 . 1 . . . . A 143 LEU CG . 30529 1 1079 . 1 1 98 98 LEU CD1 C 13 25.0500 0.0000 . 1 . . . . A 143 LEU CD1 . 30529 1 1080 . 1 1 98 98 LEU CD2 C 13 23.7700 0.0000 . 1 . . . . A 143 LEU CD2 . 30529 1 1081 . 1 1 98 98 LEU N N 15 123.7700 0.0000 . 1 . . . . A 143 LEU N . 30529 1 1082 . 1 1 99 99 ARG H H 1 8.2490 0.0000 . 1 . . . . A 144 ARG H . 30529 1 1083 . 1 1 99 99 ARG HA H 1 4.2300 0.0000 . 1 . . . . A 144 ARG HA . 30529 1 1084 . 1 1 99 99 ARG HB3 H 1 1.7000 0.0000 . 2 . . . . A 144 ARG HB3 . 30529 1 1085 . 1 1 99 99 ARG CA C 13 56.0800 0.0000 . 1 . . . . A 144 ARG CA . 30529 1 1086 . 1 1 99 99 ARG CB C 13 30.7350 0.0000 . 1 . . . . A 144 ARG CB . 30529 1 1087 . 1 1 99 99 ARG N N 15 121.3400 0.0000 . 1 . . . . A 144 ARG N . 30529 1 1088 . 1 1 100 100 ARG HA H 1 4.2500 0.0000 . 1 . . . . A 145 ARG HA . 30529 1 1089 . 1 1 100 100 ARG HB2 H 1 1.8450 0.0000 . 1 . . . . A 145 ARG HB2 . 30529 1 1090 . 1 1 100 100 ARG HB3 H 1 1.8450 0.0000 . 1 . . . . A 145 ARG HB3 . 30529 1 1091 . 1 1 100 100 ARG HG2 H 1 1.6350 0.0000 . 1 . . . . A 145 ARG HG2 . 30529 1 1092 . 1 1 100 100 ARG HG3 H 1 1.6350 0.0000 . 1 . . . . A 145 ARG HG3 . 30529 1 1093 . 1 1 100 100 ARG HD2 H 1 3.1870 0.0000 . 1 . . . . A 145 ARG HD2 . 30529 1 1094 . 1 1 100 100 ARG HD3 H 1 3.1870 0.0000 . 1 . . . . A 145 ARG HD3 . 30529 1 1095 . 1 1 100 100 ARG CA C 13 56.6000 0.0000 . 1 . . . . A 145 ARG CA . 30529 1 1096 . 1 1 100 100 ARG CB C 13 30.7800 0.0000 . 1 . . . . A 145 ARG CB . 30529 1 1097 . 1 1 100 100 ARG CG C 13 27.3000 0.0000 . 1 . . . . A 145 ARG CG . 30529 1 1098 . 1 1 100 100 ARG CD C 13 43.3170 0.0000 . 1 . . . . A 145 ARG CD . 30529 1 1099 . 1 1 101 101 VAL H H 1 8.0600 0.0000 . 1 . . . . A 146 VAL H . 30529 1 1100 . 1 1 101 101 VAL HA H 1 4.1050 0.0000 . 1 . . . . A 146 VAL HA . 30529 1 1101 . 1 1 101 101 VAL HB H 1 2.0550 0.0000 . 1 . . . . A 146 VAL HB . 30529 1 1102 . 1 1 101 101 VAL HG11 H 1 0.8770 0.0000 . 1 . . . . A 146 VAL HG11 . 30529 1 1103 . 1 1 101 101 VAL HG12 H 1 0.8770 0.0000 . 1 . . . . A 146 VAL HG12 . 30529 1 1104 . 1 1 101 101 VAL HG13 H 1 0.8770 0.0000 . 1 . . . . A 146 VAL HG13 . 30529 1 1105 . 1 1 101 101 VAL HG21 H 1 0.9030 0.0000 . 1 . . . . A 146 VAL HG21 . 30529 1 1106 . 1 1 101 101 VAL HG22 H 1 0.9030 0.0000 . 1 . . . . A 146 VAL HG22 . 30529 1 1107 . 1 1 101 101 VAL HG23 H 1 0.9030 0.0000 . 1 . . . . A 146 VAL HG23 . 30529 1 1108 . 1 1 101 101 VAL CA C 13 62.2200 0.0000 . 1 . . . . A 146 VAL CA . 30529 1 1109 . 1 1 101 101 VAL CB C 13 32.4800 0.0000 . 1 . . . . A 146 VAL CB . 30529 1 1110 . 1 1 101 101 VAL CG1 C 13 21.5200 0.0000 . 1 . . . . A 146 VAL CG1 . 30529 1 1111 . 1 1 101 101 VAL CG2 C 13 20.8000 0.0000 . 1 . . . . A 146 VAL CG2 . 30529 1 1112 . 1 1 101 101 VAL N N 15 120.5400 0.0000 . 1 . . . . A 146 VAL N . 30529 1 1113 . 1 1 102 102 ARG H H 1 8.2080 0.0000 . 1 . . . . A 147 ARG H . 30529 1 1114 . 1 1 102 102 ARG HA H 1 4.4130 0.0000 . 1 . . . . A 147 ARG HA . 30529 1 1115 . 1 1 102 102 ARG HB2 H 1 1.7600 0.0000 . 2 . . . . A 147 ARG HB2 . 30529 1 1116 . 1 1 102 102 ARG HB3 H 1 1.8500 0.0000 . 2 . . . . A 147 ARG HB3 . 30529 1 1117 . 1 1 102 102 ARG HG2 H 1 1.6100 0.0000 . 2 . . . . A 147 ARG HG2 . 30529 1 1118 . 1 1 102 102 ARG HG3 H 1 1.6100 0.0000 . 2 . . . . A 147 ARG HG3 . 30529 1 1119 . 1 1 102 102 ARG HD2 H 1 3.1930 0.0000 . 2 . . . . A 147 ARG HD2 . 30529 1 1120 . 1 1 102 102 ARG HD3 H 1 3.1930 0.0000 . 2 . . . . A 147 ARG HD3 . 30529 1 1121 . 1 1 102 102 ARG CA C 13 55.9000 0.0000 . 1 . . . . A 147 ARG CA . 30529 1 1122 . 1 1 102 102 ARG CB C 13 31.3000 0.0000 . 1 . . . . A 147 ARG CB . 30529 1 1123 . 1 1 102 102 ARG CG C 13 27.3000 0.0000 . 1 . . . . A 147 ARG CG . 30529 1 1124 . 1 1 102 102 ARG CD C 13 43.2800 0.0000 . 1 . . . . A 147 ARG CD . 30529 1 1125 . 1 1 102 102 ARG N N 15 124.4100 0.0000 . 1 . . . . A 147 ARG N . 30529 1 1126 . 1 1 103 103 ILE H H 1 7.9650 0.0000 . 1 . . . . A 148 ILE H . 30529 1 1127 . 1 1 103 103 ILE HA H 1 4.2800 0.0000 . 1 . . . . A 148 ILE HA . 30529 1 1128 . 1 1 103 103 ILE HB H 1 1.8000 0.0000 . 1 . . . . A 148 ILE HB . 30529 1 1129 . 1 1 103 103 ILE HG12 H 1 1.1400 0.0000 . 2 . . . . A 148 ILE HG12 . 30529 1 1130 . 1 1 103 103 ILE HG13 H 1 1.5000 0.0000 . 2 . . . . A 148 ILE HG13 . 30529 1 1131 . 1 1 103 103 ILE HG21 H 1 0.8900 0.0000 . 1 . . . . A 148 ILE HG21 . 30529 1 1132 . 1 1 103 103 ILE HG22 H 1 0.8900 0.0000 . 1 . . . . A 148 ILE HG22 . 30529 1 1133 . 1 1 103 103 ILE HG23 H 1 0.8900 0.0000 . 1 . . . . A 148 ILE HG23 . 30529 1 1134 . 1 1 103 103 ILE HD11 H 1 0.7800 0.0000 . 1 . . . . A 148 ILE HD11 . 30529 1 1135 . 1 1 103 103 ILE HD12 H 1 0.7800 0.0000 . 1 . . . . A 148 ILE HD12 . 30529 1 1136 . 1 1 103 103 ILE HD13 H 1 0.7800 0.0000 . 1 . . . . A 148 ILE HD13 . 30529 1 1137 . 1 1 103 103 ILE CA C 13 60.3000 0.0000 . 1 . . . . A 148 ILE CA . 30529 1 1138 . 1 1 103 103 ILE CB C 13 39.8000 0.0000 . 1 . . . . A 148 ILE CB . 30529 1 1139 . 1 1 103 103 ILE CG1 C 13 27.6300 0.0000 . 1 . . . . A 148 ILE CG1 . 30529 1 1140 . 1 1 103 103 ILE CG2 C 13 17.6000 0.0000 . 1 . . . . A 148 ILE CG2 . 30529 1 1141 . 1 1 103 103 ILE CD1 C 13 13.5000 0.0000 . 1 . . . . A 148 ILE CD1 . 30529 1 1142 . 1 1 103 103 ILE N N 15 120.4400 0.0000 . 1 . . . . A 148 ILE N . 30529 1 1143 . 1 1 104 104 SER H H 1 8.2530 0.0000 . 1 . . . . A 149 SER H . 30529 1 1144 . 1 1 104 104 SER HA H 1 4.5800 0.0000 . 1 . . . . A 149 SER HA . 30529 1 1145 . 1 1 104 104 SER HB2 H 1 3.9800 0.0000 . 2 . . . . A 149 SER HB2 . 30529 1 1146 . 1 1 104 104 SER HB3 H 1 4.1810 0.0000 . 2 . . . . A 149 SER HB3 . 30529 1 1147 . 1 1 104 104 SER CA C 13 57.3000 0.0000 . 1 . . . . A 149 SER CA . 30529 1 1148 . 1 1 104 104 SER CB C 13 64.2000 0.0000 . 1 . . . . A 149 SER CB . 30529 1 1149 . 1 1 104 104 SER N N 15 120.2440 0.0000 . 1 . . . . A 149 SER N . 30529 1 1150 . 1 1 105 105 ALA H H 1 8.7800 0.0000 . 1 . . . . A 150 ALA H . 30529 1 1151 . 1 1 105 105 ALA HA H 1 4.0380 0.0000 . 1 . . . . A 150 ALA HA . 30529 1 1152 . 1 1 105 105 ALA HB1 H 1 1.4770 0.0000 . 1 . . . . A 150 ALA HB1 . 30529 1 1153 . 1 1 105 105 ALA HB2 H 1 1.4770 0.0000 . 1 . . . . A 150 ALA HB2 . 30529 1 1154 . 1 1 105 105 ALA HB3 H 1 1.4770 0.0000 . 1 . . . . A 150 ALA HB3 . 30529 1 1155 . 1 1 105 105 ALA CA C 13 55.6500 0.0000 . 1 . . . . A 150 ALA CA . 30529 1 1156 . 1 1 105 105 ALA CB C 13 18.5700 0.0000 . 1 . . . . A 150 ALA CB . 30529 1 1157 . 1 1 105 105 ALA N N 15 127.1700 0.0000 . 1 . . . . A 150 ALA N . 30529 1 1158 . 1 1 106 106 ASP H H 1 8.4500 0.0000 . 1 . . . . A 151 ASP H . 30529 1 1159 . 1 1 106 106 ASP HA H 1 4.3500 0.0000 . 1 . . . . A 151 ASP HA . 30529 1 1160 . 1 1 106 106 ASP HB2 H 1 2.6500 0.0000 . 2 . . . . A 151 ASP HB2 . 30529 1 1161 . 1 1 106 106 ASP HB3 H 1 2.6500 0.0000 . 2 . . . . A 151 ASP HB3 . 30529 1 1162 . 1 1 106 106 ASP CA C 13 57.2500 0.0000 . 1 . . . . A 151 ASP CA . 30529 1 1163 . 1 1 106 106 ASP CB C 13 40.7000 0.0000 . 1 . . . . A 151 ASP CB . 30529 1 1164 . 1 1 106 106 ASP N N 15 116.2300 0.0000 . 1 . . . . A 151 ASP N . 30529 1 1165 . 1 1 107 107 ALA H H 1 7.8300 0.0000 . 1 . . . . A 152 ALA H . 30529 1 1166 . 1 1 107 107 ALA HA H 1 4.1100 0.0000 . 1 . . . . A 152 ALA HA . 30529 1 1167 . 1 1 107 107 ALA HB1 H 1 1.5000 0.0000 . 1 . . . . A 152 ALA HB1 . 30529 1 1168 . 1 1 107 107 ALA HB2 H 1 1.5000 0.0000 . 1 . . . . A 152 ALA HB2 . 30529 1 1169 . 1 1 107 107 ALA HB3 H 1 1.5000 0.0000 . 1 . . . . A 152 ALA HB3 . 30529 1 1170 . 1 1 107 107 ALA CA C 13 54.8000 0.0000 . 1 . . . . A 152 ALA CA . 30529 1 1171 . 1 1 107 107 ALA CB C 13 18.5000 0.0000 . 1 . . . . A 152 ALA CB . 30529 1 1172 . 1 1 107 107 ALA N N 15 122.6900 0.0000 . 1 . . . . A 152 ALA N . 30529 1 1173 . 1 1 108 108 MET H H 1 8.2700 0.0000 . 1 . . . . A 153 MET H . 30529 1 1174 . 1 1 108 108 MET HA H 1 4.0200 0.0000 . 1 . . . . A 153 MET HA . 30529 1 1175 . 1 1 108 108 MET HB2 H 1 2.2300 0.0000 . 2 . . . . A 153 MET HB2 . 30529 1 1176 . 1 1 108 108 MET HB3 H 1 2.2650 0.0000 . 2 . . . . A 153 MET HB3 . 30529 1 1177 . 1 1 108 108 MET HG2 H 1 2.5700 0.0000 . 2 . . . . A 153 MET HG2 . 30529 1 1178 . 1 1 108 108 MET HG3 H 1 2.4900 0.0000 . 2 . . . . A 153 MET HG3 . 30529 1 1179 . 1 1 108 108 MET HE1 H 1 2.0850 0.0000 . 1 . . . . A 153 MET HE1 . 30529 1 1180 . 1 1 108 108 MET HE2 H 1 2.0850 0.0000 . 1 . . . . A 153 MET HE2 . 30529 1 1181 . 1 1 108 108 MET HE3 H 1 2.0850 0.0000 . 1 . . . . A 153 MET HE3 . 30529 1 1182 . 1 1 108 108 MET CA C 13 59.2000 0.0000 . 1 . . . . A 153 MET CA . 30529 1 1183 . 1 1 108 108 MET CB C 13 32.9400 0.0000 . 1 . . . . A 153 MET CB . 30529 1 1184 . 1 1 108 108 MET CG C 13 32.0000 0.0000 . 1 . . . . A 153 MET CG . 30529 1 1185 . 1 1 108 108 MET CE C 13 17.6600 0.0000 . 1 . . . . A 153 MET CE . 30529 1 1186 . 1 1 108 108 MET N N 15 118.6500 0.0000 . 1 . . . . A 153 MET N . 30529 1 1187 . 1 1 109 109 MET H H 1 8.4500 0.0000 . 1 . . . . A 154 MET H . 30529 1 1188 . 1 1 109 109 MET HA H 1 4.3700 0.0000 . 1 . . . . A 154 MET HA . 30529 1 1189 . 1 1 109 109 MET HB2 H 1 2.2700 0.0000 . 2 . . . . A 154 MET HB2 . 30529 1 1190 . 1 1 109 109 MET HB3 H 1 1.9900 0.0000 . 2 . . . . A 154 MET HB3 . 30529 1 1191 . 1 1 109 109 MET HG2 H 1 2.7500 0.0000 . 2 . . . . A 154 MET HG2 . 30529 1 1192 . 1 1 109 109 MET HG3 H 1 2.7500 0.0000 . 2 . . . . A 154 MET HG3 . 30529 1 1193 . 1 1 109 109 MET HE1 H 1 1.9800 0.0000 . 1 . . . . A 154 MET HE1 . 30529 1 1194 . 1 1 109 109 MET HE2 H 1 1.9800 0.0000 . 1 . . . . A 154 MET HE2 . 30529 1 1195 . 1 1 109 109 MET HE3 H 1 1.9800 0.0000 . 1 . . . . A 154 MET HE3 . 30529 1 1196 . 1 1 109 109 MET CA C 13 57.5500 0.0000 . 1 . . . . A 154 MET CA . 30529 1 1197 . 1 1 109 109 MET CB C 13 31.7400 0.0000 . 1 . . . . A 154 MET CB . 30529 1 1198 . 1 1 109 109 MET CG C 13 32.6700 0.0000 . 1 . . . . A 154 MET CG . 30529 1 1199 . 1 1 109 109 MET CE C 13 17.6100 0.0000 . 1 . . . . A 154 MET CE . 30529 1 1200 . 1 1 109 109 MET N N 15 117.6000 0.0000 . 1 . . . . A 154 MET N . 30529 1 1201 . 1 1 110 110 GLN H H 1 8.1100 0.0000 . 1 . . . . A 155 GLN H . 30529 1 1202 . 1 1 110 110 GLN HA H 1 4.0100 0.0000 . 1 . . . . A 155 GLN HA . 30529 1 1203 . 1 1 110 110 GLN HB2 H 1 2.1300 0.0000 . 2 . . . . A 155 GLN HB2 . 30529 1 1204 . 1 1 110 110 GLN HB3 H 1 2.1300 0.0000 . 2 . . . . A 155 GLN HB3 . 30529 1 1205 . 1 1 110 110 GLN HG2 H 1 2.3950 0.0000 . 2 . . . . A 155 GLN HG2 . 30529 1 1206 . 1 1 110 110 GLN HG3 H 1 2.4800 0.0000 . 2 . . . . A 155 GLN HG3 . 30529 1 1207 . 1 1 110 110 GLN CA C 13 58.7630 0.0000 . 1 . . . . A 155 GLN CA . 30529 1 1208 . 1 1 110 110 GLN CB C 13 28.3100 0.0000 . 1 . . . . A 155 GLN CB . 30529 1 1209 . 1 1 110 110 GLN CG C 13 33.8500 0.0000 . 1 . . . . A 155 GLN CG . 30529 1 1210 . 1 1 110 110 GLN N N 15 118.1000 0.0000 . 1 . . . . A 155 GLN N . 30529 1 1211 . 1 1 111 111 ALA H H 1 7.8500 0.0000 . 1 . . . . A 156 ALA H . 30529 1 1212 . 1 1 111 111 ALA HA H 1 4.1500 0.0000 . 1 . . . . A 156 ALA HA . 30529 1 1213 . 1 1 111 111 ALA HB1 H 1 1.5000 0.0000 . 1 . . . . A 156 ALA HB1 . 30529 1 1214 . 1 1 111 111 ALA HB2 H 1 1.5000 0.0000 . 1 . . . . A 156 ALA HB2 . 30529 1 1215 . 1 1 111 111 ALA HB3 H 1 1.5000 0.0000 . 1 . . . . A 156 ALA HB3 . 30529 1 1216 . 1 1 111 111 ALA CA C 13 54.7200 0.0000 . 1 . . . . A 156 ALA CA . 30529 1 1217 . 1 1 111 111 ALA CB C 13 18.5000 0.0000 . 1 . . . . A 156 ALA CB . 30529 1 1218 . 1 1 111 111 ALA N N 15 121.3900 0.0000 . 1 . . . . A 156 ALA N . 30529 1 1219 . 1 1 112 112 LEU H H 1 8.0500 0.0000 . 1 . . . . A 157 LEU H . 30529 1 1220 . 1 1 112 112 LEU HA H 1 4.1750 0.0000 . 1 . . . . A 157 LEU HA . 30529 1 1221 . 1 1 112 112 LEU HB2 H 1 1.5370 0.0000 . 2 . . . . A 157 LEU HB2 . 30529 1 1222 . 1 1 112 112 LEU HB3 H 1 1.9120 0.0000 . 2 . . . . A 157 LEU HB3 . 30529 1 1223 . 1 1 112 112 LEU HG H 1 1.8600 0.0000 . 1 . . . . A 157 LEU HG . 30529 1 1224 . 1 1 112 112 LEU HD11 H 1 0.9050 0.0000 . 1 . . . . A 157 LEU HD11 . 30529 1 1225 . 1 1 112 112 LEU HD12 H 1 0.9050 0.0000 . 1 . . . . A 157 LEU HD12 . 30529 1 1226 . 1 1 112 112 LEU HD13 H 1 0.9050 0.0000 . 1 . . . . A 157 LEU HD13 . 30529 1 1227 . 1 1 112 112 LEU HD21 H 1 0.6940 0.0000 . 1 . . . . A 157 LEU HD21 . 30529 1 1228 . 1 1 112 112 LEU HD22 H 1 0.6940 0.0000 . 1 . . . . A 157 LEU HD22 . 30529 1 1229 . 1 1 112 112 LEU HD23 H 1 0.6940 0.0000 . 1 . . . . A 157 LEU HD23 . 30529 1 1230 . 1 1 112 112 LEU CA C 13 57.1000 0.0000 . 1 . . . . A 157 LEU CA . 30529 1 1231 . 1 1 112 112 LEU CB C 13 42.6900 0.0000 . 1 . . . . A 157 LEU CB . 30529 1 1232 . 1 1 112 112 LEU CG C 13 26.7400 0.0000 . 1 . . . . A 157 LEU CG . 30529 1 1233 . 1 1 112 112 LEU CD1 C 13 26.0500 0.0000 . 1 . . . . A 157 LEU CD1 . 30529 1 1234 . 1 1 112 112 LEU CD2 C 13 22.9400 0.0000 . 1 . . . . A 157 LEU CD2 . 30529 1 1235 . 1 1 112 112 LEU N N 15 116.6000 0.0000 . 1 . . . . A 157 LEU N . 30529 1 1236 . 1 1 113 113 LEU H H 1 8.2100 0.0000 . 1 . . . . A 158 LEU H . 30529 1 1237 . 1 1 113 113 LEU HA H 1 4.3300 0.0000 . 1 . . . . A 158 LEU HA . 30529 1 1238 . 1 1 113 113 LEU HB2 H 1 1.8590 0.0000 . 2 . . . . A 158 LEU HB2 . 30529 1 1239 . 1 1 113 113 LEU HB3 H 1 1.5000 0.0000 . 2 . . . . A 158 LEU HB3 . 30529 1 1240 . 1 1 113 113 LEU HG H 1 1.7400 0.0000 . 1 . . . . A 158 LEU HG . 30529 1 1241 . 1 1 113 113 LEU HD11 H 1 0.9310 0.0000 . 1 . . . . A 158 LEU HD11 . 30529 1 1242 . 1 1 113 113 LEU HD12 H 1 0.9310 0.0000 . 1 . . . . A 158 LEU HD12 . 30529 1 1243 . 1 1 113 113 LEU HD13 H 1 0.9310 0.0000 . 1 . . . . A 158 LEU HD13 . 30529 1 1244 . 1 1 113 113 LEU HD21 H 1 0.8200 0.0000 . 1 . . . . A 158 LEU HD21 . 30529 1 1245 . 1 1 113 113 LEU HD22 H 1 0.8200 0.0000 . 1 . . . . A 158 LEU HD22 . 30529 1 1246 . 1 1 113 113 LEU HD23 H 1 0.8200 0.0000 . 1 . . . . A 158 LEU HD23 . 30529 1 1247 . 1 1 113 113 LEU CA C 13 55.6000 0.0000 . 1 . . . . A 158 LEU CA . 30529 1 1248 . 1 1 113 113 LEU CB C 13 42.4400 0.0000 . 1 . . . . A 158 LEU CB . 30529 1 1249 . 1 1 113 113 LEU CG C 13 27.3000 0.0000 . 1 . . . . A 158 LEU CG . 30529 1 1250 . 1 1 113 113 LEU CD1 C 13 25.8200 0.0000 . 1 . . . . A 158 LEU CD1 . 30529 1 1251 . 1 1 113 113 LEU CD2 C 13 22.9000 0.0000 . 1 . . . . A 158 LEU CD2 . 30529 1 1252 . 1 1 113 113 LEU N N 15 116.4800 0.0000 . 1 . . . . A 158 LEU N . 30529 1 1253 . 1 1 114 114 GLY H H 1 7.8800 0.0000 . 1 . . . . A 159 GLY H . 30529 1 1254 . 1 1 114 114 GLY HA2 H 1 3.9600 0.0000 . 2 . . . . A 159 GLY HA2 . 30529 1 1255 . 1 1 114 114 GLY HA3 H 1 3.9600 0.0000 . 2 . . . . A 159 GLY HA3 . 30529 1 1256 . 1 1 114 114 GLY CA C 13 46.0500 0.0000 . 1 . . . . A 159 GLY CA . 30529 1 1257 . 1 1 114 114 GLY N N 15 108.4100 0.0000 . 1 . . . . A 159 GLY N . 30529 1 1258 . 1 1 115 115 ALA H H 1 8.0900 0.0000 . 1 . . . . A 160 ALA H . 30529 1 1259 . 1 1 115 115 ALA HA H 1 4.2400 0.0000 . 1 . . . . A 160 ALA HA . 30529 1 1260 . 1 1 115 115 ALA HB1 H 1 1.4200 0.0000 . 1 . . . . A 160 ALA HB1 . 30529 1 1261 . 1 1 115 115 ALA HB2 H 1 1.4200 0.0000 . 1 . . . . A 160 ALA HB2 . 30529 1 1262 . 1 1 115 115 ALA HB3 H 1 1.4200 0.0000 . 1 . . . . A 160 ALA HB3 . 30529 1 1263 . 1 1 115 115 ALA CA C 13 53.2400 0.0000 . 1 . . . . A 160 ALA CA . 30529 1 1264 . 1 1 115 115 ALA CB C 13 18.7700 0.0000 . 1 . . . . A 160 ALA CB . 30529 1 1265 . 1 1 115 115 ALA N N 15 123.9000 0.0000 . 1 . . . . A 160 ALA N . 30529 1 1266 . 1 1 116 116 ARG H H 1 7.9600 0.0000 . 1 . . . . A 161 ARG H . 30529 1 1267 . 1 1 116 116 ARG HA H 1 4.2300 0.0000 . 1 . . . . A 161 ARG HA . 30529 1 1268 . 1 1 116 116 ARG HB2 H 1 1.9000 0.0000 . 2 . . . . A 161 ARG HB2 . 30529 1 1269 . 1 1 116 116 ARG HB3 H 1 1.8000 0.0000 . 2 . . . . A 161 ARG HB3 . 30529 1 1270 . 1 1 116 116 ARG HG2 H 1 1.6600 0.0000 . 2 . . . . A 161 ARG HG2 . 30529 1 1271 . 1 1 116 116 ARG HG3 H 1 1.6800 0.0000 . 1 . . . . A 161 ARG HG3 . 30529 1 1272 . 1 1 116 116 ARG HD2 H 1 3.1720 0.0000 . 2 . . . . A 161 ARG HD2 . 30529 1 1273 . 1 1 116 116 ARG HD3 H 1 3.1720 0.0000 . 2 . . . . A 161 ARG HD3 . 30529 1 1274 . 1 1 116 116 ARG CA C 13 56.5800 0.0000 . 1 . . . . A 161 ARG CA . 30529 1 1275 . 1 1 116 116 ARG CB C 13 30.5000 0.0000 . 1 . . . . A 161 ARG CB . 30529 1 1276 . 1 1 116 116 ARG CG C 13 27.0860 0.0000 . 1 . . . . A 161 ARG CG . 30529 1 1277 . 1 1 116 116 ARG CD C 13 43.2600 0.0000 . 1 . . . . A 161 ARG CD . 30529 1 1278 . 1 1 116 116 ARG N N 15 118.2000 0.0000 . 1 . . . . A 161 ARG N . 30529 1 1279 . 1 1 117 117 ALA H H 1 8.0000 0.0000 . 1 . . . . A 162 ALA H . 30529 1 1280 . 1 1 117 117 ALA HA H 1 4.2500 0.0000 . 1 . . . . A 162 ALA HA . 30529 1 1281 . 1 1 117 117 ALA HB1 H 1 1.3900 0.0000 . 1 . . . . A 162 ALA HB1 . 30529 1 1282 . 1 1 117 117 ALA HB2 H 1 1.3900 0.0000 . 1 . . . . A 162 ALA HB2 . 30529 1 1283 . 1 1 117 117 ALA HB3 H 1 1.3900 0.0000 . 1 . . . . A 162 ALA HB3 . 30529 1 1284 . 1 1 117 117 ALA CA C 13 52.7000 0.0000 . 1 . . . . A 162 ALA CA . 30529 1 1285 . 1 1 117 117 ALA CB C 13 18.9000 0.0000 . 1 . . . . A 162 ALA CB . 30529 1 1286 . 1 1 117 117 ALA N N 15 123.4000 0.0000 . 1 . . . . A 162 ALA N . 30529 1 1287 . 1 1 118 118 LYS H H 1 8.1880 0.0000 . 1 . . . . A 163 LYS H . 30529 1 1288 . 1 1 118 118 LYS HA H 1 4.2600 0.0000 . 1 . . . . A 163 LYS HA . 30529 1 1289 . 1 1 118 118 LYS HB3 H 1 1.8220 0.0000 . 2 . . . . A 163 LYS HB3 . 30529 1 1290 . 1 1 118 118 LYS HG3 H 1 1.4630 0.0000 . 2 . . . . A 163 LYS HG3 . 30529 1 1291 . 1 1 118 118 LYS HD2 H 1 1.6660 0.0000 . 2 . . . . A 163 LYS HD2 . 30529 1 1292 . 1 1 118 118 LYS HE2 H 1 2.9920 0.0000 . 2 . . . . A 163 LYS HE2 . 30529 1 1293 . 1 1 118 118 LYS CA C 13 56.6700 0.0000 . 1 . . . . A 163 LYS CA . 30529 1 1294 . 1 1 118 118 LYS CB C 13 32.9510 0.0000 . 1 . . . . A 163 LYS CB . 30529 1 1295 . 1 1 118 118 LYS CG C 13 24.9980 0.0000 . 1 . . . . A 163 LYS CG . 30529 1 1296 . 1 1 118 118 LYS CD C 13 29.0560 0.0000 . 1 . . . . A 163 LYS CD . 30529 1 1297 . 1 1 118 118 LYS CE C 13 42.2030 0.0000 . 1 . . . . A 163 LYS CE . 30529 1 1298 . 1 1 118 118 LYS N N 15 119.8900 0.0000 . 1 . . . . A 163 LYS N . 30529 1 1299 . 1 1 119 119 GLY H H 1 8.2900 0.0000 . 1 . . . . A 164 GLY H . 30529 1 1300 . 1 1 119 119 GLY HA2 H 1 3.8900 0.0000 . 2 . . . . A 164 GLY HA2 . 30529 1 1301 . 1 1 119 119 GLY HA3 H 1 3.8900 0.0000 . 2 . . . . A 164 GLY HA3 . 30529 1 1302 . 1 1 119 119 GLY CA C 13 45.2200 0.0000 . 1 . . . . A 164 GLY CA . 30529 1 1303 . 1 1 119 119 GLY N N 15 108.9600 0.0000 . 1 . . . . A 164 GLY N . 30529 1 1304 . 1 1 120 120 HIS H H 1 8.1140 0.0000 . 1 . . . . A 165 HIS H . 30529 1 1305 . 1 1 120 120 HIS N N 15 118.9640 0.0000 . 1 . . . . A 165 HIS N . 30529 1 stop_ save_