data_30820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30820 _Entry.Title ; NMR Structure of a tRNA 2'-phosphotransferase from Runella slithyformis in complex with NAD+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-30 _Entry.Accession_date 2020-11-30 _Entry.Last_release_date 2021-01-04 _Entry.Original_release_date 2021-01-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Alphonse S. . . . 30820 2 S. Dantuluri S. . . . 30820 3 A. Banerjee A. . . . 30820 4 S. Shuman S. . . . 30820 5 R. Ghose R. . . . 30820 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSFERASE . 30820 "tRNA 2'-phosphotransferase NAD+" . 30820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 703 30820 '15N chemical shifts' 172 30820 '1H chemical shifts' 1111 30820 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 . . 2022-04-12 2020-11-30 update BMRB 'update entry citation' 30820 1 . . 2021-10-08 2020-11-30 original author 'original release' 30820 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7KW9 'BMRB Entry Tracking System' 30820 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30820 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33880546 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR solution structures of Runella slithyformis RNA 2'-phosphotransferase Tpt1 provide insights into NAD+ binding and specificity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 49 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0353 _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 9607 _Citation.Page_last 9624 _Citation.Year 2021 _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 Sebastien Alphonse S. . . . 30820 1 2 Ankan Banerjee A. . . . 30820 1 3 Swathi Dantuluri S. . . . 30820 1 4 Stewart Shuman S. . . . 30820 1 5 Ranajeet Ghose R. . . . 30820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30820 _Assembly.ID 1 _Assembly.Name "tRNA 2'-phosphotransferase (E.C.2.7.1.160)" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30820 1 2 unit_2 2 $entity_NAD B A no . . . . . . 30820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30820 _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 ; GSHMVKVSKFLSLVLRHNPA LIGLDLDANGWAPVKELLAK MKAKGHGISMEELKHIVETN SKKRFAFSENFEKIRANQGH SVEVDLGYEKQVPPAVLFHG TAEKNFDLILKDGIKKMSRH HVHLSQDITTARKVGMRHGK PVVLSVDAKGMADGGFDFYL SNNGVWLIDFVPAEFIKV ; _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 178 _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 . _Entity.EC_number 2.7.1.160 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19846.059 _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 Tpt1 common 30820 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 . GLY . 30820 1 2 . SER . 30820 1 3 . HIS . 30820 1 4 . MET . 30820 1 5 . VAL . 30820 1 6 . LYS . 30820 1 7 . VAL . 30820 1 8 . SER . 30820 1 9 . LYS . 30820 1 10 . PHE . 30820 1 11 . LEU . 30820 1 12 . SER . 30820 1 13 . LEU . 30820 1 14 . VAL . 30820 1 15 . LEU . 30820 1 16 . ARG . 30820 1 17 . HIS . 30820 1 18 . ASN . 30820 1 19 . PRO . 30820 1 20 . ALA . 30820 1 21 . LEU . 30820 1 22 . ILE . 30820 1 23 . GLY . 30820 1 24 . LEU . 30820 1 25 . ASP . 30820 1 26 . LEU . 30820 1 27 . ASP . 30820 1 28 . ALA . 30820 1 29 . ASN . 30820 1 30 . GLY . 30820 1 31 . TRP . 30820 1 32 . ALA . 30820 1 33 . PRO . 30820 1 34 . VAL . 30820 1 35 . LYS . 30820 1 36 . GLU . 30820 1 37 . LEU . 30820 1 38 . LEU . 30820 1 39 . ALA . 30820 1 40 . LYS . 30820 1 41 . MET . 30820 1 42 . LYS . 30820 1 43 . ALA . 30820 1 44 . LYS . 30820 1 45 . GLY . 30820 1 46 . HIS . 30820 1 47 . GLY . 30820 1 48 . ILE . 30820 1 49 . SER . 30820 1 50 . MET . 30820 1 51 . GLU . 30820 1 52 . GLU . 30820 1 53 . LEU . 30820 1 54 . LYS . 30820 1 55 . HIS . 30820 1 56 . ILE . 30820 1 57 . VAL . 30820 1 58 . GLU . 30820 1 59 . THR . 30820 1 60 . ASN . 30820 1 61 . SER . 30820 1 62 . LYS . 30820 1 63 . LYS . 30820 1 64 . ARG . 30820 1 65 . PHE . 30820 1 66 . ALA . 30820 1 67 . PHE . 30820 1 68 . SER . 30820 1 69 . GLU . 30820 1 70 . ASN . 30820 1 71 . PHE . 30820 1 72 . GLU . 30820 1 73 . LYS . 30820 1 74 . ILE . 30820 1 75 . ARG . 30820 1 76 . ALA . 30820 1 77 . ASN . 30820 1 78 . GLN . 30820 1 79 . GLY . 30820 1 80 . HIS . 30820 1 81 . SER . 30820 1 82 . VAL . 30820 1 83 . GLU . 30820 1 84 . VAL . 30820 1 85 . ASP . 30820 1 86 . LEU . 30820 1 87 . GLY . 30820 1 88 . TYR . 30820 1 89 . GLU . 30820 1 90 . LYS . 30820 1 91 . GLN . 30820 1 92 . VAL . 30820 1 93 . PRO . 30820 1 94 . PRO . 30820 1 95 . ALA . 30820 1 96 . VAL . 30820 1 97 . LEU . 30820 1 98 . PHE . 30820 1 99 . HIS . 30820 1 100 . GLY . 30820 1 101 . THR . 30820 1 102 . ALA . 30820 1 103 . GLU . 30820 1 104 . LYS . 30820 1 105 . ASN . 30820 1 106 . PHE . 30820 1 107 . ASP . 30820 1 108 . LEU . 30820 1 109 . ILE . 30820 1 110 . LEU . 30820 1 111 . LYS . 30820 1 112 . ASP . 30820 1 113 . GLY . 30820 1 114 . ILE . 30820 1 115 . LYS . 30820 1 116 . LYS . 30820 1 117 . MET . 30820 1 118 . SER . 30820 1 119 . ARG . 30820 1 120 . HIS . 30820 1 121 . HIS . 30820 1 122 . VAL . 30820 1 123 . HIS . 30820 1 124 . LEU . 30820 1 125 . SER . 30820 1 126 . GLN . 30820 1 127 . ASP . 30820 1 128 . ILE . 30820 1 129 . THR . 30820 1 130 . THR . 30820 1 131 . ALA . 30820 1 132 . ARG . 30820 1 133 . LYS . 30820 1 134 . VAL . 30820 1 135 . GLY . 30820 1 136 . MET . 30820 1 137 . ARG . 30820 1 138 . HIS . 30820 1 139 . GLY . 30820 1 140 . LYS . 30820 1 141 . PRO . 30820 1 142 . VAL . 30820 1 143 . VAL . 30820 1 144 . LEU . 30820 1 145 . SER . 30820 1 146 . VAL . 30820 1 147 . ASP . 30820 1 148 . ALA . 30820 1 149 . LYS . 30820 1 150 . GLY . 30820 1 151 . MET . 30820 1 152 . ALA . 30820 1 153 . ASP . 30820 1 154 . GLY . 30820 1 155 . GLY . 30820 1 156 . PHE . 30820 1 157 . ASP . 30820 1 158 . PHE . 30820 1 159 . TYR . 30820 1 160 . LEU . 30820 1 161 . SER . 30820 1 162 . ASN . 30820 1 163 . ASN . 30820 1 164 . GLY . 30820 1 165 . VAL . 30820 1 166 . TRP . 30820 1 167 . LEU . 30820 1 168 . ILE . 30820 1 169 . ASP . 30820 1 170 . PHE . 30820 1 171 . VAL . 30820 1 172 . PRO . 30820 1 173 . ALA . 30820 1 174 . GLU . 30820 1 175 . PHE . 30820 1 176 . ILE . 30820 1 177 . LYS . 30820 1 178 . VAL . 30820 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 . GLY 1 1 30820 1 . SER 2 2 30820 1 . HIS 3 3 30820 1 . MET 4 4 30820 1 . VAL 5 5 30820 1 . LYS 6 6 30820 1 . VAL 7 7 30820 1 . SER 8 8 30820 1 . LYS 9 9 30820 1 . PHE 10 10 30820 1 . LEU 11 11 30820 1 . SER 12 12 30820 1 . LEU 13 13 30820 1 . VAL 14 14 30820 1 . LEU 15 15 30820 1 . ARG 16 16 30820 1 . HIS 17 17 30820 1 . ASN 18 18 30820 1 . PRO 19 19 30820 1 . ALA 20 20 30820 1 . LEU 21 21 30820 1 . ILE 22 22 30820 1 . GLY 23 23 30820 1 . LEU 24 24 30820 1 . ASP 25 25 30820 1 . LEU 26 26 30820 1 . ASP 27 27 30820 1 . ALA 28 28 30820 1 . ASN 29 29 30820 1 . GLY 30 30 30820 1 . TRP 31 31 30820 1 . ALA 32 32 30820 1 . PRO 33 33 30820 1 . VAL 34 34 30820 1 . LYS 35 35 30820 1 . GLU 36 36 30820 1 . LEU 37 37 30820 1 . LEU 38 38 30820 1 . ALA 39 39 30820 1 . LYS 40 40 30820 1 . MET 41 41 30820 1 . LYS 42 42 30820 1 . ALA 43 43 30820 1 . LYS 44 44 30820 1 . GLY 45 45 30820 1 . HIS 46 46 30820 1 . GLY 47 47 30820 1 . ILE 48 48 30820 1 . SER 49 49 30820 1 . MET 50 50 30820 1 . GLU 51 51 30820 1 . GLU 52 52 30820 1 . LEU 53 53 30820 1 . LYS 54 54 30820 1 . HIS 55 55 30820 1 . ILE 56 56 30820 1 . VAL 57 57 30820 1 . GLU 58 58 30820 1 . THR 59 59 30820 1 . ASN 60 60 30820 1 . SER 61 61 30820 1 . LYS 62 62 30820 1 . LYS 63 63 30820 1 . ARG 64 64 30820 1 . PHE 65 65 30820 1 . ALA 66 66 30820 1 . PHE 67 67 30820 1 . SER 68 68 30820 1 . GLU 69 69 30820 1 . ASN 70 70 30820 1 . PHE 71 71 30820 1 . GLU 72 72 30820 1 . LYS 73 73 30820 1 . ILE 74 74 30820 1 . ARG 75 75 30820 1 . ALA 76 76 30820 1 . ASN 77 77 30820 1 . GLN 78 78 30820 1 . GLY 79 79 30820 1 . HIS 80 80 30820 1 . SER 81 81 30820 1 . VAL 82 82 30820 1 . GLU 83 83 30820 1 . VAL 84 84 30820 1 . ASP 85 85 30820 1 . LEU 86 86 30820 1 . GLY 87 87 30820 1 . TYR 88 88 30820 1 . GLU 89 89 30820 1 . LYS 90 90 30820 1 . GLN 91 91 30820 1 . VAL 92 92 30820 1 . PRO 93 93 30820 1 . PRO 94 94 30820 1 . ALA 95 95 30820 1 . VAL 96 96 30820 1 . LEU 97 97 30820 1 . PHE 98 98 30820 1 . HIS 99 99 30820 1 . GLY 100 100 30820 1 . THR 101 101 30820 1 . ALA 102 102 30820 1 . GLU 103 103 30820 1 . LYS 104 104 30820 1 . ASN 105 105 30820 1 . PHE 106 106 30820 1 . ASP 107 107 30820 1 . LEU 108 108 30820 1 . ILE 109 109 30820 1 . LEU 110 110 30820 1 . LYS 111 111 30820 1 . ASP 112 112 30820 1 . GLY 113 113 30820 1 . ILE 114 114 30820 1 . LYS 115 115 30820 1 . LYS 116 116 30820 1 . MET 117 117 30820 1 . SER 118 118 30820 1 . ARG 119 119 30820 1 . HIS 120 120 30820 1 . HIS 121 121 30820 1 . VAL 122 122 30820 1 . HIS 123 123 30820 1 . LEU 124 124 30820 1 . SER 125 125 30820 1 . GLN 126 126 30820 1 . ASP 127 127 30820 1 . ILE 128 128 30820 1 . THR 129 129 30820 1 . THR 130 130 30820 1 . ALA 131 131 30820 1 . ARG 132 132 30820 1 . LYS 133 133 30820 1 . VAL 134 134 30820 1 . GLY 135 135 30820 1 . MET 136 136 30820 1 . ARG 137 137 30820 1 . HIS 138 138 30820 1 . GLY 139 139 30820 1 . LYS 140 140 30820 1 . PRO 141 141 30820 1 . VAL 142 142 30820 1 . VAL 143 143 30820 1 . LEU 144 144 30820 1 . SER 145 145 30820 1 . VAL 146 146 30820 1 . ASP 147 147 30820 1 . ALA 148 148 30820 1 . LYS 149 149 30820 1 . GLY 150 150 30820 1 . MET 151 151 30820 1 . ALA 152 152 30820 1 . ASP 153 153 30820 1 . GLY 154 154 30820 1 . GLY 155 155 30820 1 . PHE 156 156 30820 1 . ASP 157 157 30820 1 . PHE 158 158 30820 1 . TYR 159 159 30820 1 . LEU 160 160 30820 1 . SER 161 161 30820 1 . ASN 162 162 30820 1 . ASN 163 163 30820 1 . GLY 164 164 30820 1 . VAL 165 165 30820 1 . TRP 166 166 30820 1 . LEU 167 167 30820 1 . ILE 168 168 30820 1 . ASP 169 169 30820 1 . PHE 170 170 30820 1 . VAL 171 171 30820 1 . PRO 172 172 30820 1 . ALA 173 173 30820 1 . GLU 174 174 30820 1 . PHE 175 175 30820 1 . ILE 176 176 30820 1 . LYS 177 177 30820 1 . VAL 178 178 30820 1 stop_ save_ save_entity_NAD _Entity.Sf_category entity _Entity.Sf_framecode entity_NAD _Entity.Entry_ID 30820 _Entity.ID 2 _Entity.BMRB_code NAD _Entity.Name entity_NAD _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 NAD _Entity.Nonpolymer_comp_label $chem_comp_NAD _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 663.425 _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 NICOTINAMIDE-ADENINE-DINUCLEOTIDE BMRB 30820 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID NICOTINAMIDE-ADENINE-DINUCLEOTIDE BMRB 30820 2 NAD 'Three letter code' 30820 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 NAD $chem_comp_NAD 30820 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30820 _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 . 106 organism . 'Runella slithyformis' 'Runella slithyformis' . . Bacteria . Runella slithyformis . . . . . . . 49304 . . . . . 30820 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 30820 _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 . . . . . . . . . . . . 30820 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAD _Chem_comp.Entry_ID 30820 _Chem_comp.ID NAD _Chem_comp.Provenance PDB _Chem_comp.Name NICOTINAMIDE-ADENINE-DINUCLEOTIDE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NAD _Chem_comp.PDB_code NAD _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 NAH _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAD _Chem_comp.Number_atoms_all 71 _Chem_comp.Number_atoms_nh 44 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H27 N7 O14 P2' _Chem_comp.Formula_weight 663.425 _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 1C1D _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 BAWFJGJZGIEFAR-NNYOXOHSSA-N InChIKey InChI 1.03 30820 NAD ; InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 ; InChI InChI 1.03 30820 NAD NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O SMILES_CANONICAL CACTVS 3.341 30820 NAD NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O SMILES CACTVS 3.341 30820 NAD c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 30820 NAD ; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30820 NAD 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 ; [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30820 NAD 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 PA PA PA AP . P . . S 0 . . . 1 no no . . . . 19.222 . 51.636 . -19.186 . -0.887 -0.813 -0.676 1 . 30820 NAD O1A O1A O1A AO1 . O . . N 0 . . . 1 no no . . . . 18.340 . 51.797 . -20.358 . -1.258 0.102 -1.778 2 . 30820 NAD O2A O2A O2A AO2 . O . . N 0 . . . 1 no no . . . . 18.885 . 52.533 . -18.051 . -0.249 -2.159 -1.287 3 . 30820 NAD O5B O5B O5B AO5* . O . . N 0 . . . 1 no no . . . . 20.682 . 52.134 . -19.596 . -2.200 -1.182 0.180 4 . 30820 NAD C5B C5B C5B AC5* . C . . N 0 . . . 1 no no . . . . 21.429 . 51.543 . -20.679 . -3.159 -1.706 -0.741 5 . 30820 NAD C4B C4B C4B AC4* . C . . R 0 . . . 1 no no . . . . 22.529 . 52.559 . -20.842 . -4.437 -2.079 0.012 6 . 30820 NAD O4B O4B O4B AO4* . O . . N 0 . . . 1 no no . . . . 23.479 . 52.131 . -21.867 . -5.068 -0.893 0.523 7 . 30820 NAD C3B C3B C3B AC3* . C . . S 0 . . . 1 no no . . . . 22.016 . 53.911 . -21.339 . -5.434 -2.754 -0.950 8 . 30820 NAD O3B O3B O3B AO3* . O . . N 0 . . . 1 no no . . . . 22.683 . 54.999 . -20.645 . -5.745 -4.078 -0.512 9 . 30820 NAD C2B C2B C2B AC2* . C . . R 0 . . . 1 no no . . . . 22.391 . 53.799 . -22.811 . -6.693 -1.850 -0.881 10 . 30820 NAD O2B O2B O2B AO2* . O . . N 0 . . . 1 no no . . . . 22.499 . 55.103 . -23.391 . -7.885 -2.638 -0.862 11 . 30820 NAD C1B C1B C1B AC1* . C . . R 0 . . . 1 no no . . . . 23.787 . 53.193 . -22.650 . -6.493 -1.116 0.469 12 . 30820 NAD N9A N9A N9A AN9 . N . . N 0 . . . 1 yes no . . . . 24.232 . 52.627 . -23.888 . -7.216 0.158 0.479 13 . 30820 NAD C8A C8A C8A AC8 . C . . N 0 . . . 1 yes no . . . . 23.456 . 52.062 . -24.844 . -6.723 1.368 0.089 14 . 30820 NAD N7A N7A N7A AN7 . N . . N 0 . . . 1 yes no . . . . 24.163 . 51.575 . -25.870 . -7.635 2.286 0.229 15 . 30820 NAD C5A C5A C5A AC5 . C . . N 0 . . . 1 yes no . . . . 25.468 . 51.899 . -25.524 . -8.768 1.725 0.717 16 . 30820 NAD C6A C6A C6A AC6 . C . . N 0 . . . 1 yes no . . . . 26.691 . 51.648 . -26.178 . -10.042 2.209 1.059 17 . 30820 NAD N6A N6A N6A AN6 . N . . N 0 . . . 1 no no . . . . 26.814 . 51.028 . -27.349 . -10.352 3.550 0.916 18 . 30820 NAD N1A N1A N1A AN1 . N . . N 0 . . . 1 yes no . . . . 27.815 . 52.074 . -25.559 . -10.942 1.348 1.524 19 . 30820 NAD C2A C2A C2A AC2 . C . . N 0 . . . 1 yes no . . . . 27.688 . 52.687 . -24.351 . -10.655 0.067 1.663 20 . 30820 NAD N3A N3A N3A AN3 . N . . N 0 . . . 1 yes no . . . . 26.599 . 52.942 . -23.671 . -9.476 -0.431 1.355 21 . 30820 NAD C4A C4A C4A AC4 . C . . N 0 . . . 1 yes no . . . . 25.520 . 52.541 . -24.314 . -8.514 0.352 0.878 22 . 30820 NAD O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 19.277 . 50.088 . -18.799 . 0.191 -0.093 0.279 23 . 30820 NAD PN PN PN NP . P . . N 0 . . . 1 no no . . . . 19.601 . 49.476 . -17.337 . 1.204 0.707 -0.683 24 . 30820 NAD O1N O1N O1N NO1 . O . . N 0 . . . 1 no no . . . . 18.411 . 49.237 . -16.475 . 0.556 2.042 -1.115 25 . 30820 NAD O2N O2N O2N NO2 . O . . N -1 . . . 1 no no . . . . 20.666 . 50.302 . -16.679 . 1.509 -0.146 -1.934 26 . 30820 NAD O5D O5D O5D NO5* . O . . N 0 . . . 1 no no . . . . 20.109 . 48.046 . -17.867 . 2.573 1.007 0.109 27 . 30820 NAD C5D C5D C5D NC5* . C . . N 0 . . . 1 no no . . . . 21.466 . 47.904 . -18.399 . 3.469 1.610 -0.827 28 . 30820 NAD C4D C4D C4D NC4* . C . . R 0 . . . 1 no no . . . . 21.663 . 46.439 . -18.718 . 4.797 1.921 -0.135 29 . 30820 NAD O4D O4D O4D NO4* . O . . N 0 . . . 1 no no . . . . 21.549 . 45.687 . -17.490 . 5.467 0.698 0.241 30 . 30820 NAD C3D C3D C3D NC3* . C . . S 0 . . . 1 no no . . . . 20.666 . 45.828 . -19.706 . 5.767 2.618 -1.115 31 . 30820 NAD O3D O3D O3D NO3* . O . . N 0 . . . 1 no no . . . . 21.260 . 44.692 . -20.357 . 5.745 4.033 -0.921 32 . 30820 NAD C2D C2D C2D NC2* . C . . R 0 . . . 1 no no . . . . 19.642 . 45.251 . -18.741 . 7.154 2.040 -0.746 33 . 30820 NAD O2D O2D O2D NO2* . O . . N 0 . . . 1 no no . . . . 18.884 . 44.196 . -19.362 . 8.031 3.082 -0.314 34 . 30820 NAD C1D C1D C1D NC1* . C . . R 0 . . . 1 no no . . . . 20.561 . 44.689 . -17.680 . 6.854 1.062 0.411 35 . 30820 NAD N1N N1N N1N NN1 . N . . N 1 . . . 1 yes no . . . . 19.878 . 44.375 . -16.435 . 7.708 -0.125 0.310 36 . 30820 NAD C2N C2N C2N NC2 . C . . N 0 . . . 1 yes no . . . . 19.056 . 45.318 . -15.824 . 8.763 -0.222 1.093 37 . 30820 NAD C3N C3N C3N NC3 . C . . N 0 . . . 1 yes no . . . . 18.413 . 45.064 . -14.544 . 9.601 -1.335 1.017 38 . 30820 NAD C7N C7N C7N NC7 . C . . N 0 . . . 1 no no . . . . 17.732 . 46.217 . -13.899 . 10.789 -1.442 1.891 39 . 30820 NAD O7N O7N O7N NO7 . O . . N 0 . . . 1 no no . . . . 17.237 . 45.926 . -12.798 . 11.045 -0.553 2.680 40 . 30820 NAD N7N N7N N7N NN7 . N . . N 0 . . . 1 no no . . . . 17.658 . 47.471 . -14.438 . 11.588 -2.524 1.813 41 . 30820 NAD C4N C4N C4N NC4 . C . . N 0 . . . 1 yes no . . . . 18.566 . 43.753 . -13.912 . 9.296 -2.352 0.104 42 . 30820 NAD C5N C5N C5N NC5 . C . . N 0 . . . 1 yes no . . . . 19.471 . 42.797 . -14.637 . 8.173 -2.204 -0.690 43 . 30820 NAD C6N C6N C6N NC6 . C . . N 0 . . . 1 yes no . . . . 20.037 . 43.127 . -15.786 . 7.395 -1.067 -0.559 44 . 30820 NAD HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 19.452 . 52.429 . -17.296 . -0.021 -2.726 -0.537 45 . 30820 NAD H51A H51A H51A AH51 . H . . N 0 . . . 0 no no . . . . 21.763 . 50.491 . -20.516 . -3.388 -0.954 -1.495 46 . 30820 NAD H52A H52A H52A AH52 . H . . N 0 . . . 0 no no . . . . 20.843 . 51.313 . -21.600 . -2.750 -2.594 -1.225 47 . 30820 NAD H4B H4B H4B AH4* . H . . N 0 . . . 1 no no . . . . 22.987 . 52.650 . -19.829 . -4.200 -2.755 0.834 48 . 30820 NAD H3B H3B H3B AH3* . H . . N 0 . . . 1 no no . . . . 20.935 . 54.127 . -21.169 . -5.033 -2.773 -1.963 49 . 30820 NAD HO3A HO3A HO3A AHO3 . H . . N 0 . . . 0 no no . . . . 22.364 . 55.839 . -20.953 . -6.415 -4.423 -1.117 50 . 30820 NAD H2B H2B H2B AH2* . H . . N 0 . . . 1 no no . . . . 21.676 . 53.232 . -23.452 . -6.711 -1.142 -1.710 51 . 30820 NAD HO2A HO2A HO2A AHO2 . H . . N 0 . . . 0 no no . . . . 22.732 . 55.033 . -24.309 . -7.951 -3.066 -1.726 52 . 30820 NAD H1B H1B H1B AH1* . H . . N 0 . . . 1 no no . . . . 24.553 . 53.917 . -22.287 . -6.815 -1.745 1.299 53 . 30820 NAD H8A H8A H8A AH8 . H . . N 0 . . . 1 no no . . . . 22.355 . 52.004 . -24.792 . -5.724 1.540 -0.282 54 . 30820 NAD H61A H61A H61A AH61 . H . . N 0 . . . 0 no no . . . . 27.699 . 50.846 . -27.822 . -9.686 4.168 0.576 55 . 30820 NAD H62A H62A H62A AH62 . H . . N 0 . . . 0 no no . . . . 26.223 . 51.530 . -28.011 . -11.235 3.872 1.157 56 . 30820 NAD H2A H2A H2A AH2 . H . . N 0 . . . 1 no no . . . . 28.607 . 53.029 . -23.846 . -11.416 -0.598 2.045 57 . 30820 NAD H51N H51N H51N NH51 . H . . N 0 . . . 0 no no . . . . 21.668 . 48.573 . -19.267 . 3.031 2.533 -1.206 58 . 30820 NAD H52N H52N H52N NH52 . H . . N 0 . . . 0 no no . . . . 22.248 . 48.313 . -17.718 . 3.643 0.924 -1.656 59 . 30820 NAD H4D H4D H4D NH4* . H . . N 0 . . . 1 no no . . . . 22.665 . 46.381 . -19.202 . 4.629 2.547 0.742 60 . 30820 NAD H3D H3D H3D NH3* . H . . N 0 . . . 1 no no . . . . 20.301 . 46.546 . -20.477 . 5.511 2.371 -2.145 61 . 30820 NAD HO3N HO3N HO3N NHO3 . H . . N 0 . . . 0 no no . . . . 20.641 . 44.312 . -20.970 . 6.367 4.412 -1.557 62 . 30820 NAD H2D H2D H2D NH2* . H . . N 0 . . . 1 no no . . . . 18.882 . 45.980 . -18.374 . 7.583 1.507 -1.594 63 . 30820 NAD HO2N HO2N HO2N NHO2 . H . . N 0 . . . 0 no no . . . . 18.244 . 43.835 . -18.759 . 8.130 3.691 -1.060 64 . 30820 NAD H1D H1D H1D NH1* . H . . N 0 . . . 1 no no . . . . 20.992 . 43.714 . -18.006 . 7.003 1.554 1.373 65 . 30820 NAD H2N H2N H2N NH2 . H . . N 0 . . . 1 no no . . . . 18.913 . 46.272 . -16.357 . 8.986 0.570 1.791 66 . 30820 NAD H71N H71N H71N NH71 . H . . N 0 . . . 0 no no . . . . 18.064 . 47.710 . -15.342 . 12.367 -2.594 2.386 67 . 30820 NAD H72N H72N H72N NH72 . H . . N 0 . . . 0 no no . . . . 17.190 . 48.262 . -13.995 . 11.382 -3.235 1.186 68 . 30820 NAD H4N H4N H4N NH4 . H . . N 0 . . . 1 no no . . . . 18.044 . 43.507 . -12.971 . 9.920 -3.229 0.023 69 . 30820 NAD H5N H5N H5N NH5 . H . . N 0 . . . 1 no no . . . . 19.738 . 41.780 . -14.302 . 7.906 -2.967 -1.406 70 . 30820 NAD H6N H6N H6N NH6 . H . . N 0 . . . 1 no no . . . . 20.665 . 42.331 . -16.219 . 6.518 -0.948 -1.178 71 . 30820 NAD 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 PA O1A no N 1 . 30820 NAD 2 . SING PA O2A no N 2 . 30820 NAD 3 . SING PA O5B no N 3 . 30820 NAD 4 . SING PA O3 no N 4 . 30820 NAD 5 . SING O2A HOA2 no N 5 . 30820 NAD 6 . SING O5B C5B no N 6 . 30820 NAD 7 . SING C5B C4B no N 7 . 30820 NAD 8 . SING C5B H51A no N 8 . 30820 NAD 9 . SING C5B H52A no N 9 . 30820 NAD 10 . SING C4B O4B no N 10 . 30820 NAD 11 . SING C4B C3B no N 11 . 30820 NAD 12 . SING C4B H4B no N 12 . 30820 NAD 13 . SING O4B C1B no N 13 . 30820 NAD 14 . SING C3B O3B no N 14 . 30820 NAD 15 . SING C3B C2B no N 15 . 30820 NAD 16 . SING C3B H3B no N 16 . 30820 NAD 17 . SING O3B HO3A no N 17 . 30820 NAD 18 . SING C2B O2B no N 18 . 30820 NAD 19 . SING C2B C1B no N 19 . 30820 NAD 20 . SING C2B H2B no N 20 . 30820 NAD 21 . SING O2B HO2A no N 21 . 30820 NAD 22 . SING C1B N9A no N 22 . 30820 NAD 23 . SING C1B H1B no N 23 . 30820 NAD 24 . SING N9A C8A yes N 24 . 30820 NAD 25 . SING N9A C4A yes N 25 . 30820 NAD 26 . DOUB C8A N7A yes N 26 . 30820 NAD 27 . SING C8A H8A no N 27 . 30820 NAD 28 . SING N7A C5A yes N 28 . 30820 NAD 29 . SING C5A C6A yes N 29 . 30820 NAD 30 . DOUB C5A C4A yes N 30 . 30820 NAD 31 . SING C6A N6A no N 31 . 30820 NAD 32 . DOUB C6A N1A yes N 32 . 30820 NAD 33 . SING N6A H61A no N 33 . 30820 NAD 34 . SING N6A H62A no N 34 . 30820 NAD 35 . SING N1A C2A yes N 35 . 30820 NAD 36 . DOUB C2A N3A yes N 36 . 30820 NAD 37 . SING C2A H2A no N 37 . 30820 NAD 38 . SING N3A C4A yes N 38 . 30820 NAD 39 . SING O3 PN no N 39 . 30820 NAD 40 . DOUB PN O1N no N 40 . 30820 NAD 41 . SING PN O2N no N 41 . 30820 NAD 42 . SING PN O5D no N 42 . 30820 NAD 43 . SING O5D C5D no N 43 . 30820 NAD 44 . SING C5D C4D no N 44 . 30820 NAD 45 . SING C5D H51N no N 45 . 30820 NAD 46 . SING C5D H52N no N 46 . 30820 NAD 47 . SING C4D O4D no N 47 . 30820 NAD 48 . SING C4D C3D no N 48 . 30820 NAD 49 . SING C4D H4D no N 49 . 30820 NAD 50 . SING O4D C1D no N 50 . 30820 NAD 51 . SING C3D O3D no N 51 . 30820 NAD 52 . SING C3D C2D no N 52 . 30820 NAD 53 . SING C3D H3D no N 53 . 30820 NAD 54 . SING O3D HO3N no N 54 . 30820 NAD 55 . SING C2D O2D no N 55 . 30820 NAD 56 . SING C2D C1D no N 56 . 30820 NAD 57 . SING C2D H2D no N 57 . 30820 NAD 58 . SING O2D HO2N no N 58 . 30820 NAD 59 . SING C1D N1N no N 59 . 30820 NAD 60 . SING C1D H1D no N 60 . 30820 NAD 61 . SING N1N C2N yes N 61 . 30820 NAD 62 . DOUB N1N C6N yes N 62 . 30820 NAD 63 . DOUB C2N C3N yes N 63 . 30820 NAD 64 . SING C2N H2N no N 64 . 30820 NAD 65 . SING C3N C7N no N 65 . 30820 NAD 66 . SING C3N C4N yes N 66 . 30820 NAD 67 . DOUB C7N O7N no N 67 . 30820 NAD 68 . SING C7N N7N no N 68 . 30820 NAD 69 . SING N7N H71N no N 69 . 30820 NAD 70 . SING N7N H72N no N 70 . 30820 NAD 71 . DOUB C4N C5N yes N 71 . 30820 NAD 72 . SING C4N H4N no N 72 . 30820 NAD 73 . SING C5N C6N yes N 73 . 30820 NAD 74 . SING C5N H5N no N 74 . 30820 NAD 75 . SING C6N H6N no N 75 . 30820 NAD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30820 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 600 uM [U-13C; U-15N] Tpt1, 2.4 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM . . . . 30820 1 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 2.4 . . mM . . . . 30820 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 1 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 1 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 1 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 1 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 1 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30820 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 280 uM [U-13C; U-15N] Tpt1, 1.12 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N]' . . 1 $entity_1 . . 280 . . uM . . . . 30820 2 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 1.12 . . mM . . . . 30820 2 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 2 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 2 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 2 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 2 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 2 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30820 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 325 uM [U-13C; U-15N] Tpt1, 1.3 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N]' . . 1 $entity_1 . . 325 . . uM . . . . 30820 3 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 1.3 . . mM . . . . 30820 3 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 3 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 3 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 3 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 3 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 3 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 3 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30820 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-13C; U-15N] Tpt1, 1.2 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30820 4 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 1.2 . . mM . . . . 30820 4 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 4 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 4 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 4 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 4 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 4 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 4 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 4 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30820 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N; U-2H] Tpt1, 2 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM . . . . 30820 5 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 2 . . mM . . . . 30820 5 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 5 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 5 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 5 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 5 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 5 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 5 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 5 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30820 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 400 uM [U-13C; U-15N] Tpt1, 1.6 mM NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 20 mM HEPES, 200 mM sodium chloride, 2 mM DTT, 2 mM [U-2H] EDTA, 5 % v/v [U-2H] glycerol, 1 mM AEBSF protease inhibitor, 0.04 % w/v sodium azide, 50 uM DSS, 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 Tpt1 '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 30820 6 2 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 'natural abundance' . . 2 $entity_NAD . . 1.6 . . mM . . . . 30820 6 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30820 6 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 30820 6 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 30820 6 6 EDTA [U-2H] . . . . . . 2 . . mM . . . . 30820 6 7 glycerol [U-2H] . . . . . . 5 . . '% v/v' . . . . 30820 6 8 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 30820 6 9 'sodium azide' 'natural abundance' . . . . . . 0.04 . . '% w/v' . . . . 30820 6 10 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 30820 6 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 30820 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 30820 1 pressure 1 . atm 30820 1 temperature 290.15 . K 30820 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30820 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH* 30820 2 pressure 1 . atm 30820 2 temperature 290.15 . K 30820 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30820 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version '10.3 Revision 2019.220.13.40' _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' . . 30820 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30820 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30820 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3.5p15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30820 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30820 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30820 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30820 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30820 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30820 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30820 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30820 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30820 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.52 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30820 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30820 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 30820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30820 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30820 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 30820 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_6 _NMR_spectrometer.Entry_ID 30820 _NMR_spectrometer.ID 6 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenically-cooled probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30820 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 600 . . . 30820 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 700 . . . 30820 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 800 . . . 30820 1 4 NMR_spectrometer_4 Bruker 'AVANCE III HD' . 800 . . . 30820 1 5 NMR_spectrometer_5 Bruker 'AVANCE III' . 700 . . . 30820 1 6 NMR_spectrometer_6 Bruker 'AVANCE II' . 900 . . . 30820 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 30820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30820 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30820 1 3 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30820 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30820 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 30820 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30820 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30820 1 10 '3D CCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30820 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 6 $NMR_spectrometer_6 . . . . . . . . . . . . . . . . . 30820 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 15 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30820 1 18 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 1 19 '3D 1H-13C NOESY methyl' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30820 1 20 '4D 1H-13C-13C-1H NOESY methyl' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 30820 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 30820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30820 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30820 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30820 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 30820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.45 _Assigned_chem_shift_list.Chem_shift_15N_err 0.45 _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 '3D HNCO' . . . 30820 1 2 '3D HN(CA)CO' . . . 30820 1 3 '3D HNCA' . . . 30820 1 4 '3D HN(CO)CA' . . . 30820 1 5 '3D HNCACB' . . . 30820 1 6 '3D CBCA(CO)NH' . . . 30820 1 7 '3D HBHA(CO)NH' . . . 30820 1 8 '3D C(CO)NH' . . . 30820 1 9 '3D H(CCO)NH' . . . 30820 1 10 '3D CCH-TOCSY' . . . 30820 1 11 '3D HCCH-TOCSY' . . . 30820 1 12 '2D 1H-1H NOESY' . . . 30820 1 13 '3D 1H-15N NOESY' . . . 30820 1 14 '3D 1H-15N NOESY' . . . 30820 1 15 '3D 1H-13C NOESY aromatic' . . . 30820 1 16 '3D 1H-13C NOESY aromatic' . . . 30820 1 17 '3D 1H-13C NOESY aliphatic' . . . 30820 1 18 '3D 1H-13C NOESY aliphatic' . . . 30820 1 19 '3D 1H-13C NOESY methyl' . . . 30820 1 20 '4D 1H-13C-13C-1H NOESY methyl' . . . 30820 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '13C isotope effect' 'all 13C' 13 . . 30820 1 '15N isotope effect' 'amide nitrogens' 15 . . 30820 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS HA H 1 4.5690 0.0000 . 1 . . . . A 3 HIS HA . 30820 1 2 . 1 . 1 3 3 HIS HB2 H 1 3.2490 0.0000 . 2 . . . . A 3 HIS HB2 . 30820 1 3 . 1 . 1 3 3 HIS HB3 H 1 3.2060 0.0000 . 2 . . . . A 3 HIS HB3 . 30820 1 4 . 1 . 1 3 3 HIS HD2 H 1 7.0460 0.0000 . 1 . . . . A 3 HIS HD2 . 30820 1 5 . 1 . 1 3 3 HIS HE1 H 1 7.9950 0.0000 . 1 . . . . A 3 HIS HE1 . 30820 1 6 . 1 . 1 3 3 HIS C C 13 176.3850 0.0000 . 1 . . . . A 3 HIS C . 30820 1 7 . 1 . 1 3 3 HIS CA C 13 58.5460 0.0000 . 1 . . . . A 3 HIS CA . 30820 1 8 . 1 . 1 3 3 HIS CB C 13 30.2700 0.0000 . 1 . . . . A 3 HIS CB . 30820 1 9 . 1 . 1 3 3 HIS CD2 C 13 119.1100 0.0000 . 1 . . . . A 3 HIS CD2 . 30820 1 10 . 1 . 1 3 3 HIS CE1 C 13 138.5370 0.0000 . 1 . . . . A 3 HIS CE1 . 30820 1 11 . 1 . 1 4 4 MET H H 1 8.3490 0.0000 . 1 . . . . A 4 MET H . 30820 1 12 . 1 . 1 4 4 MET HA H 1 4.1740 0.0000 . 1 . . . . A 4 MET HA . 30820 1 13 . 1 . 1 4 4 MET HB2 H 1 2.0950 0.0000 . 2 . . . . A 4 MET HB2 . 30820 1 14 . 1 . 1 4 4 MET HB3 H 1 2.1700 0.0000 . 2 . . . . A 4 MET HB3 . 30820 1 15 . 1 . 1 4 4 MET HG2 H 1 2.5240 0.0000 . 2 . . . . A 4 MET HG2 . 30820 1 16 . 1 . 1 4 4 MET HG3 H 1 2.6670 0.0000 . 2 . . . . A 4 MET HG3 . 30820 1 17 . 1 . 1 4 4 MET HE1 H 1 2.0520 0.0000 . 1 . . . . A 4 MET HE1 . 30820 1 18 . 1 . 1 4 4 MET HE2 H 1 2.0520 0.0000 . 1 . . . . A 4 MET HE2 . 30820 1 19 . 1 . 1 4 4 MET HE3 H 1 2.0520 0.0000 . 1 . . . . A 4 MET HE3 . 30820 1 20 . 1 . 1 4 4 MET C C 13 178.5890 0.0000 . 1 . . . . A 4 MET C . 30820 1 21 . 1 . 1 4 4 MET CA C 13 57.6980 0.0000 . 1 . . . . A 4 MET CA . 30820 1 22 . 1 . 1 4 4 MET CB C 13 31.9000 0.0000 . 1 . . . . A 4 MET CB . 30820 1 23 . 1 . 1 4 4 MET CG C 13 32.5170 0.0000 . 1 . . . . A 4 MET CG . 30820 1 24 . 1 . 1 4 4 MET CE C 13 17.5170 0.0000 . 1 . . . . A 4 MET CE . 30820 1 25 . 1 . 1 4 4 MET N N 15 118.7040 0.0000 . 1 . . . . A 4 MET N . 30820 1 26 . 1 . 1 5 5 VAL H H 1 7.9310 0.0000 . 1 . . . . A 5 VAL H . 30820 1 27 . 1 . 1 5 5 VAL HA H 1 3.8050 0.0000 . 1 . . . . A 5 VAL HA . 30820 1 28 . 1 . 1 5 5 VAL HB H 1 2.1790 0.0000 . 1 . . . . A 5 VAL HB . 30820 1 29 . 1 . 1 5 5 VAL HG11 H 1 1.0730 0.0000 . 2 . . . . A 5 VAL HG11 . 30820 1 30 . 1 . 1 5 5 VAL HG12 H 1 1.0730 0.0000 . 2 . . . . A 5 VAL HG12 . 30820 1 31 . 1 . 1 5 5 VAL HG13 H 1 1.0730 0.0000 . 2 . . . . A 5 VAL HG13 . 30820 1 32 . 1 . 1 5 5 VAL HG21 H 1 1.0850 0.0000 . 2 . . . . A 5 VAL HG21 . 30820 1 33 . 1 . 1 5 5 VAL HG22 H 1 1.0850 0.0000 . 2 . . . . A 5 VAL HG22 . 30820 1 34 . 1 . 1 5 5 VAL HG23 H 1 1.0850 0.0000 . 2 . . . . A 5 VAL HG23 . 30820 1 35 . 1 . 1 5 5 VAL C C 13 178.0010 0.0000 . 1 . . . . A 5 VAL C . 30820 1 36 . 1 . 1 5 5 VAL CA C 13 66.1100 0.0000 . 1 . . . . A 5 VAL CA . 30820 1 37 . 1 . 1 5 5 VAL CB C 13 31.3520 0.0000 . 1 . . . . A 5 VAL CB . 30820 1 38 . 1 . 1 5 5 VAL CG1 C 13 21.0850 0.0000 . 2 . . . . A 5 VAL CG1 . 30820 1 39 . 1 . 1 5 5 VAL CG2 C 13 22.3920 0.0000 . 2 . . . . A 5 VAL CG2 . 30820 1 40 . 1 . 1 5 5 VAL N N 15 121.4990 0.0000 . 1 . . . . A 5 VAL N . 30820 1 41 . 1 . 1 6 6 LYS H H 1 8.0170 0.0000 . 1 . . . . A 6 LYS H . 30820 1 42 . 1 . 1 6 6 LYS HA H 1 4.0840 0.0000 . 1 . . . . A 6 LYS HA . 30820 1 43 . 1 . 1 6 6 LYS HB2 H 1 1.9950 0.0000 . 2 . . . . A 6 LYS HB2 . 30820 1 44 . 1 . 1 6 6 LYS HB3 H 1 1.9950 0.0000 . 2 . . . . A 6 LYS HB3 . 30820 1 45 . 1 . 1 6 6 LYS HG2 H 1 1.4400 0.0000 . 2 . . . . A 6 LYS HG2 . 30820 1 46 . 1 . 1 6 6 LYS HG3 H 1 1.4400 0.0000 . 2 . . . . A 6 LYS HG3 . 30820 1 47 . 1 . 1 6 6 LYS HD2 H 1 1.6420 0.0000 . 2 . . . . A 6 LYS HD2 . 30820 1 48 . 1 . 1 6 6 LYS HD3 H 1 1.6420 0.0000 . 2 . . . . A 6 LYS HD3 . 30820 1 49 . 1 . 1 6 6 LYS HE2 H 1 2.9930 0.0000 . 2 . . . . A 6 LYS HE2 . 30820 1 50 . 1 . 1 6 6 LYS HE3 H 1 2.8860 0.0000 . 2 . . . . A 6 LYS HE3 . 30820 1 51 . 1 . 1 6 6 LYS C C 13 180.1060 0.0000 . 1 . . . . A 6 LYS C . 30820 1 52 . 1 . 1 6 6 LYS CA C 13 59.6980 0.0000 . 1 . . . . A 6 LYS CA . 30820 1 53 . 1 . 1 6 6 LYS CB C 13 32.1530 0.0000 . 1 . . . . A 6 LYS CB . 30820 1 54 . 1 . 1 6 6 LYS CG C 13 25.5880 0.0000 . 1 . . . . A 6 LYS CG . 30820 1 55 . 1 . 1 6 6 LYS CD C 13 29.3390 0.0000 . 1 . . . . A 6 LYS CD . 30820 1 56 . 1 . 1 6 6 LYS CE C 13 41.7890 0.0000 . 1 . . . . A 6 LYS CE . 30820 1 57 . 1 . 1 6 6 LYS N N 15 120.7990 0.0000 . 1 . . . . A 6 LYS N . 30820 1 58 . 1 . 1 7 7 VAL H H 1 8.4300 0.0000 . 1 . . . . A 7 VAL H . 30820 1 59 . 1 . 1 7 7 VAL HA H 1 3.7370 0.0000 . 1 . . . . A 7 VAL HA . 30820 1 60 . 1 . 1 7 7 VAL HB H 1 2.0100 0.0000 . 1 . . . . A 7 VAL HB . 30820 1 61 . 1 . 1 7 7 VAL HG11 H 1 0.8640 0.0000 . 2 . . . . A 7 VAL HG11 . 30820 1 62 . 1 . 1 7 7 VAL HG12 H 1 0.8640 0.0000 . 2 . . . . A 7 VAL HG12 . 30820 1 63 . 1 . 1 7 7 VAL HG13 H 1 0.8640 0.0000 . 2 . . . . A 7 VAL HG13 . 30820 1 64 . 1 . 1 7 7 VAL HG21 H 1 0.9520 0.0000 . 2 . . . . A 7 VAL HG21 . 30820 1 65 . 1 . 1 7 7 VAL HG22 H 1 0.9520 0.0000 . 2 . . . . A 7 VAL HG22 . 30820 1 66 . 1 . 1 7 7 VAL HG23 H 1 0.9520 0.0000 . 2 . . . . A 7 VAL HG23 . 30820 1 67 . 1 . 1 7 7 VAL C C 13 177.4490 0.0000 . 1 . . . . A 7 VAL C . 30820 1 68 . 1 . 1 7 7 VAL CA C 13 66.2840 0.0000 . 1 . . . . A 7 VAL CA . 30820 1 69 . 1 . 1 7 7 VAL CB C 13 31.1010 0.0000 . 1 . . . . A 7 VAL CB . 30820 1 70 . 1 . 1 7 7 VAL CG1 C 13 22.0110 0.0000 . 2 . . . . A 7 VAL CG1 . 30820 1 71 . 1 . 1 7 7 VAL CG2 C 13 23.0640 0.0000 . 2 . . . . A 7 VAL CG2 . 30820 1 72 . 1 . 1 7 7 VAL N N 15 119.9420 0.0000 . 1 . . . . A 7 VAL N . 30820 1 73 . 1 . 1 8 8 SER H H 1 8.3160 0.0000 . 1 . . . . A 8 SER H . 30820 1 74 . 1 . 1 8 8 SER HA H 1 4.2510 0.0000 . 1 . . . . A 8 SER HA . 30820 1 75 . 1 . 1 8 8 SER HB2 H 1 3.8790 0.0000 . 2 . . . . A 8 SER HB2 . 30820 1 76 . 1 . 1 8 8 SER HB3 H 1 3.9960 0.0000 . 2 . . . . A 8 SER HB3 . 30820 1 77 . 1 . 1 8 8 SER C C 13 176.7660 0.0000 . 1 . . . . A 8 SER C . 30820 1 78 . 1 . 1 8 8 SER CA C 13 62.3800 0.0000 . 1 . . . . A 8 SER CA . 30820 1 79 . 1 . 1 8 8 SER CB C 13 60.3360 0.0000 . 1 . . . . A 8 SER CB . 30820 1 80 . 1 . 1 8 8 SER N N 15 116.1700 0.0000 . 1 . . . . A 8 SER N . 30820 1 81 . 1 . 1 9 9 LYS H H 1 8.0050 0.0000 . 1 . . . . A 9 LYS H . 30820 1 82 . 1 . 1 9 9 LYS HA H 1 4.1470 0.0000 . 1 . . . . A 9 LYS HA . 30820 1 83 . 1 . 1 9 9 LYS HB2 H 1 1.9570 0.0000 . 2 . . . . A 9 LYS HB2 . 30820 1 84 . 1 . 1 9 9 LYS HB3 H 1 1.9570 0.0000 . 2 . . . . A 9 LYS HB3 . 30820 1 85 . 1 . 1 9 9 LYS HG2 H 1 1.4510 0.0000 . 2 . . . . A 9 LYS HG2 . 30820 1 86 . 1 . 1 9 9 LYS HG3 H 1 1.5940 0.0000 . 2 . . . . A 9 LYS HG3 . 30820 1 87 . 1 . 1 9 9 LYS HD2 H 1 1.6960 0.0000 . 2 . . . . A 9 LYS HD2 . 30820 1 88 . 1 . 1 9 9 LYS HD3 H 1 1.6960 0.0000 . 2 . . . . A 9 LYS HD3 . 30820 1 89 . 1 . 1 9 9 LYS HE2 H 1 2.8840 0.0000 . 2 . . . . A 9 LYS HE2 . 30820 1 90 . 1 . 1 9 9 LYS HE3 H 1 2.9540 0.0000 . 2 . . . . A 9 LYS HE3 . 30820 1 91 . 1 . 1 9 9 LYS C C 13 179.0450 0.0000 . 1 . . . . A 9 LYS C . 30820 1 92 . 1 . 1 9 9 LYS CA C 13 59.5550 0.0000 . 1 . . . . A 9 LYS CA . 30820 1 93 . 1 . 1 9 9 LYS CB C 13 32.0330 0.0000 . 1 . . . . A 9 LYS CB . 30820 1 94 . 1 . 1 9 9 LYS CG C 13 25.8620 0.0000 . 1 . . . . A 9 LYS CG . 30820 1 95 . 1 . 1 9 9 LYS CD C 13 29.0090 0.0000 . 1 . . . . A 9 LYS CD . 30820 1 96 . 1 . 1 9 9 LYS CE C 13 41.7190 0.0000 . 1 . . . . A 9 LYS CE . 30820 1 97 . 1 . 1 9 9 LYS N N 15 121.2130 0.0000 . 1 . . . . A 9 LYS N . 30820 1 98 . 1 . 1 10 10 PHE H H 1 7.9160 0.0000 . 1 . . . . A 10 PHE H . 30820 1 99 . 1 . 1 10 10 PHE HA H 1 4.2230 0.0000 . 1 . . . . A 10 PHE HA . 30820 1 100 . 1 . 1 10 10 PHE HB2 H 1 3.0450 0.0000 . 2 . . . . A 10 PHE HB2 . 30820 1 101 . 1 . 1 10 10 PHE HB3 H 1 2.9400 0.0000 . 2 . . . . A 10 PHE HB3 . 30820 1 102 . 1 . 1 10 10 PHE HD1 H 1 6.9510 0.0000 . 3 . . . . A 10 PHE HD1 . 30820 1 103 . 1 . 1 10 10 PHE HE1 H 1 7.0420 0.0000 . 3 . . . . A 10 PHE HE1 . 30820 1 104 . 1 . 1 10 10 PHE HZ H 1 6.8220 0.0000 . 1 . . . . A 10 PHE HZ . 30820 1 105 . 1 . 1 10 10 PHE C C 13 176.6980 0.0000 . 1 . . . . A 10 PHE C . 30820 1 106 . 1 . 1 10 10 PHE CA C 13 61.6340 0.0000 . 1 . . . . A 10 PHE CA . 30820 1 107 . 1 . 1 10 10 PHE CB C 13 39.2160 0.0000 . 1 . . . . A 10 PHE CB . 30820 1 108 . 1 . 1 10 10 PHE CD1 C 13 131.0810 0.0000 . 3 . . . . A 10 PHE CD1 . 30820 1 109 . 1 . 1 10 10 PHE CE1 C 13 130.6360 0.0000 . 3 . . . . A 10 PHE CE1 . 30820 1 110 . 1 . 1 10 10 PHE CZ C 13 128.5800 0.0000 . 1 . . . . A 10 PHE CZ . 30820 1 111 . 1 . 1 10 10 PHE N N 15 123.0770 0.0000 . 1 . . . . A 10 PHE N . 30820 1 112 . 1 . 1 11 11 LEU H H 1 8.8210 0.0000 . 1 . . . . A 11 LEU H . 30820 1 113 . 1 . 1 11 11 LEU HA H 1 3.8120 0.0000 . 1 . . . . A 11 LEU HA . 30820 1 114 . 1 . 1 11 11 LEU HB2 H 1 1.6020 0.0000 . 2 . . . . A 11 LEU HB2 . 30820 1 115 . 1 . 1 11 11 LEU HB3 H 1 1.2900 0.0000 . 2 . . . . A 11 LEU HB3 . 30820 1 116 . 1 . 1 11 11 LEU HG H 1 1.4290 0.0000 . 1 . . . . A 11 LEU HG . 30820 1 117 . 1 . 1 11 11 LEU HD11 H 1 0.2870 0.0000 . 2 . . . . A 11 LEU HD11 . 30820 1 118 . 1 . 1 11 11 LEU HD12 H 1 0.2870 0.0000 . 2 . . . . A 11 LEU HD12 . 30820 1 119 . 1 . 1 11 11 LEU HD13 H 1 0.2870 0.0000 . 2 . . . . A 11 LEU HD13 . 30820 1 120 . 1 . 1 11 11 LEU HD21 H 1 0.4830 0.0000 . 2 . . . . A 11 LEU HD21 . 30820 1 121 . 1 . 1 11 11 LEU HD22 H 1 0.4830 0.0000 . 2 . . . . A 11 LEU HD22 . 30820 1 122 . 1 . 1 11 11 LEU HD23 H 1 0.4830 0.0000 . 2 . . . . A 11 LEU HD23 . 30820 1 123 . 1 . 1 11 11 LEU C C 13 178.4750 0.0000 . 1 . . . . A 11 LEU C . 30820 1 124 . 1 . 1 11 11 LEU CA C 13 57.6020 0.0000 . 1 . . . . A 11 LEU CA . 30820 1 125 . 1 . 1 11 11 LEU CB C 13 42.3070 0.0000 . 1 . . . . A 11 LEU CB . 30820 1 126 . 1 . 1 11 11 LEU CG C 13 26.8190 0.0000 . 1 . . . . A 11 LEU CG . 30820 1 127 . 1 . 1 11 11 LEU CD1 C 13 24.6360 0.0000 . 2 . . . . A 11 LEU CD1 . 30820 1 128 . 1 . 1 11 11 LEU CD2 C 13 25.4380 0.0000 . 2 . . . . A 11 LEU CD2 . 30820 1 129 . 1 . 1 11 11 LEU N N 15 118.7310 0.0000 . 1 . . . . A 11 LEU N . 30820 1 130 . 1 . 1 12 12 SER H H 1 8.0080 0.0000 . 1 . . . . A 12 SER H . 30820 1 131 . 1 . 1 12 12 SER HA H 1 4.0220 0.0000 . 1 . . . . A 12 SER HA . 30820 1 132 . 1 . 1 12 12 SER HB2 H 1 4.0400 0.0000 . 2 . . . . A 12 SER HB2 . 30820 1 133 . 1 . 1 12 12 SER C C 13 175.4180 0.0000 . 1 . . . . A 12 SER C . 30820 1 134 . 1 . 1 12 12 SER CA C 13 63.0090 0.0000 . 1 . . . . A 12 SER CA . 30820 1 135 . 1 . 1 12 12 SER N N 15 112.8540 0.0000 . 1 . . . . A 12 SER N . 30820 1 136 . 1 . 1 13 13 LEU H H 1 7.6790 0.0000 . 1 . . . . A 13 LEU H . 30820 1 137 . 1 . 1 13 13 LEU HA H 1 4.1090 0.0000 . 1 . . . . A 13 LEU HA . 30820 1 138 . 1 . 1 13 13 LEU HB2 H 1 1.6640 0.0000 . 2 . . . . A 13 LEU HB2 . 30820 1 139 . 1 . 1 13 13 LEU HB3 H 1 1.8360 0.0000 . 2 . . . . A 13 LEU HB3 . 30820 1 140 . 1 . 1 13 13 LEU HG H 1 1.4650 0.0000 . 1 . . . . A 13 LEU HG . 30820 1 141 . 1 . 1 13 13 LEU HD11 H 1 0.8370 0.0000 . 2 . . . . A 13 LEU HD11 . 30820 1 142 . 1 . 1 13 13 LEU HD12 H 1 0.8370 0.0000 . 2 . . . . A 13 LEU HD12 . 30820 1 143 . 1 . 1 13 13 LEU HD13 H 1 0.8370 0.0000 . 2 . . . . A 13 LEU HD13 . 30820 1 144 . 1 . 1 13 13 LEU HD21 H 1 0.9400 0.0000 . 2 . . . . A 13 LEU HD21 . 30820 1 145 . 1 . 1 13 13 LEU HD22 H 1 0.9400 0.0000 . 2 . . . . A 13 LEU HD22 . 30820 1 146 . 1 . 1 13 13 LEU HD23 H 1 0.9400 0.0000 . 2 . . . . A 13 LEU HD23 . 30820 1 147 . 1 . 1 13 13 LEU C C 13 179.1970 0.0000 . 1 . . . . A 13 LEU C . 30820 1 148 . 1 . 1 13 13 LEU CA C 13 58.8070 0.0000 . 1 . . . . A 13 LEU CA . 30820 1 149 . 1 . 1 13 13 LEU CB C 13 41.6790 0.0000 . 1 . . . . A 13 LEU CB . 30820 1 150 . 1 . 1 13 13 LEU CG C 13 26.9390 0.0000 . 1 . . . . A 13 LEU CG . 30820 1 151 . 1 . 1 13 13 LEU CD1 C 13 25.4190 0.0000 . 2 . . . . A 13 LEU CD1 . 30820 1 152 . 1 . 1 13 13 LEU CD2 C 13 24.0390 0.0000 . 2 . . . . A 13 LEU CD2 . 30820 1 153 . 1 . 1 13 13 LEU N N 15 122.0580 0.0000 . 1 . . . . A 13 LEU N . 30820 1 154 . 1 . 1 14 14 VAL H H 1 8.0560 0.0000 . 1 . . . . A 14 VAL H . 30820 1 155 . 1 . 1 14 14 VAL HA H 1 3.5790 0.0000 . 1 . . . . A 14 VAL HA . 30820 1 156 . 1 . 1 14 14 VAL HB H 1 1.8930 0.0000 . 1 . . . . A 14 VAL HB . 30820 1 157 . 1 . 1 14 14 VAL HG11 H 1 0.6000 0.0000 . 2 . . . . A 14 VAL HG11 . 30820 1 158 . 1 . 1 14 14 VAL HG12 H 1 0.6000 0.0000 . 2 . . . . A 14 VAL HG12 . 30820 1 159 . 1 . 1 14 14 VAL HG13 H 1 0.6000 0.0000 . 2 . . . . A 14 VAL HG13 . 30820 1 160 . 1 . 1 14 14 VAL HG21 H 1 0.5360 0.0000 . 2 . . . . A 14 VAL HG21 . 30820 1 161 . 1 . 1 14 14 VAL HG22 H 1 0.5360 0.0000 . 2 . . . . A 14 VAL HG22 . 30820 1 162 . 1 . 1 14 14 VAL HG23 H 1 0.5360 0.0000 . 2 . . . . A 14 VAL HG23 . 30820 1 163 . 1 . 1 14 14 VAL C C 13 174.6580 0.0000 . 1 . . . . A 14 VAL C . 30820 1 164 . 1 . 1 14 14 VAL CA C 13 64.2590 0.0000 . 1 . . . . A 14 VAL CA . 30820 1 165 . 1 . 1 14 14 VAL CB C 13 31.5730 0.0000 . 1 . . . . A 14 VAL CB . 30820 1 166 . 1 . 1 14 14 VAL CG1 C 13 20.7840 0.0000 . 2 . . . . A 14 VAL CG1 . 30820 1 167 . 1 . 1 14 14 VAL CG2 C 13 21.7650 0.0000 . 2 . . . . A 14 VAL CG2 . 30820 1 168 . 1 . 1 14 14 VAL N N 15 115.0480 0.0000 . 1 . . . . A 14 VAL N . 30820 1 169 . 1 . 1 15 15 LEU H H 1 7.8360 0.0000 . 1 . . . . A 15 LEU H . 30820 1 170 . 1 . 1 15 15 LEU HA H 1 4.3420 0.0000 . 1 . . . . A 15 LEU HA . 30820 1 171 . 1 . 1 15 15 LEU HB2 H 1 1.7730 0.0000 . 2 . . . . A 15 LEU HB2 . 30820 1 172 . 1 . 1 15 15 LEU HB3 H 1 1.5170 0.0000 . 2 . . . . A 15 LEU HB3 . 30820 1 173 . 1 . 1 15 15 LEU HG H 1 1.5980 0.0000 . 1 . . . . A 15 LEU HG . 30820 1 174 . 1 . 1 15 15 LEU HD11 H 1 0.6190 0.0000 . 2 . . . . A 15 LEU HD11 . 30820 1 175 . 1 . 1 15 15 LEU HD12 H 1 0.6190 0.0000 . 2 . . . . A 15 LEU HD12 . 30820 1 176 . 1 . 1 15 15 LEU HD13 H 1 0.6190 0.0000 . 2 . . . . A 15 LEU HD13 . 30820 1 177 . 1 . 1 15 15 LEU HD21 H 1 0.7730 0.0000 . 2 . . . . A 15 LEU HD21 . 30820 1 178 . 1 . 1 15 15 LEU HD22 H 1 0.7730 0.0000 . 2 . . . . A 15 LEU HD22 . 30820 1 179 . 1 . 1 15 15 LEU HD23 H 1 0.7730 0.0000 . 2 . . . . A 15 LEU HD23 . 30820 1 180 . 1 . 1 15 15 LEU C C 13 178.2170 0.0000 . 1 . . . . A 15 LEU C . 30820 1 181 . 1 . 1 15 15 LEU CA C 13 55.3670 0.0000 . 1 . . . . A 15 LEU CA . 30820 1 182 . 1 . 1 15 15 LEU CB C 13 42.4440 0.0000 . 1 . . . . A 15 LEU CB . 30820 1 183 . 1 . 1 15 15 LEU CG C 13 26.9890 0.0000 . 1 . . . . A 15 LEU CG . 30820 1 184 . 1 . 1 15 15 LEU CD1 C 13 26.2250 0.0000 . 2 . . . . A 15 LEU CD1 . 30820 1 185 . 1 . 1 15 15 LEU CD2 C 13 22.9870 0.0000 . 2 . . . . A 15 LEU CD2 . 30820 1 186 . 1 . 1 15 15 LEU N N 15 111.6680 0.0000 . 1 . . . . A 15 LEU N . 30820 1 187 . 1 . 1 16 16 ARG H H 1 8.0470 0.0000 . 1 . . . . A 16 ARG H . 30820 1 188 . 1 . 1 16 16 ARG HA H 1 4.3240 0.0000 . 1 . . . . A 16 ARG HA . 30820 1 189 . 1 . 1 16 16 ARG HB2 H 1 1.4040 0.0000 . 2 . . . . A 16 ARG HB2 . 30820 1 190 . 1 . 1 16 16 ARG HB3 H 1 1.5370 0.0000 . 2 . . . . A 16 ARG HB3 . 30820 1 191 . 1 . 1 16 16 ARG HG2 H 1 1.0540 0.0000 . 2 . . . . A 16 ARG HG2 . 30820 1 192 . 1 . 1 16 16 ARG HG3 H 1 1.1790 0.0000 . 2 . . . . A 16 ARG HG3 . 30820 1 193 . 1 . 1 16 16 ARG HD2 H 1 2.9670 0.0000 . 2 . . . . A 16 ARG HD2 . 30820 1 194 . 1 . 1 16 16 ARG HD3 H 1 2.8820 0.0000 . 2 . . . . A 16 ARG HD3 . 30820 1 195 . 1 . 1 16 16 ARG C C 13 176.0840 0.0000 . 1 . . . . A 16 ARG C . 30820 1 196 . 1 . 1 16 16 ARG CA C 13 56.4750 0.0000 . 1 . . . . A 16 ARG CA . 30820 1 197 . 1 . 1 16 16 ARG CB C 13 31.5680 0.0000 . 1 . . . . A 16 ARG CB . 30820 1 198 . 1 . 1 16 16 ARG CG C 13 27.3980 0.0000 . 1 . . . . A 16 ARG CG . 30820 1 199 . 1 . 1 16 16 ARG CD C 13 42.8670 0.0000 . 1 . . . . A 16 ARG CD . 30820 1 200 . 1 . 1 16 16 ARG N N 15 115.9370 0.0000 . 1 . . . . A 16 ARG N . 30820 1 201 . 1 . 1 17 17 HIS H H 1 7.3380 0.0000 . 1 . . . . A 17 HIS H . 30820 1 202 . 1 . 1 17 17 HIS HA H 1 4.8760 0.0000 . 1 . . . . A 17 HIS HA . 30820 1 203 . 1 . 1 17 17 HIS HB2 H 1 3.1460 0.0000 . 2 . . . . A 17 HIS HB2 . 30820 1 204 . 1 . 1 17 17 HIS HB3 H 1 3.1570 0.0000 . 2 . . . . A 17 HIS HB3 . 30820 1 205 . 1 . 1 17 17 HIS HD2 H 1 6.9270 0.0000 . 1 . . . . A 17 HIS HD2 . 30820 1 206 . 1 . 1 17 17 HIS C C 13 175.8220 0.0000 . 1 . . . . A 17 HIS C . 30820 1 207 . 1 . 1 17 17 HIS CA C 13 57.7470 0.0000 . 1 . . . . A 17 HIS CA . 30820 1 208 . 1 . 1 17 17 HIS CB C 13 32.8580 0.0000 . 1 . . . . A 17 HIS CB . 30820 1 209 . 1 . 1 17 17 HIS CD2 C 13 120.9720 0.0000 . 1 . . . . A 17 HIS CD2 . 30820 1 210 . 1 . 1 17 17 HIS N N 15 115.4130 0.0000 . 1 . . . . A 17 HIS N . 30820 1 211 . 1 . 1 18 18 ASN H H 1 8.8950 0.0000 . 1 . . . . A 18 ASN H . 30820 1 212 . 1 . 1 18 18 ASN HA H 1 5.2230 0.0000 . 1 . . . . A 18 ASN HA . 30820 1 213 . 1 . 1 18 18 ASN HB2 H 1 2.4920 0.0000 . 2 . . . . A 18 ASN HB2 . 30820 1 214 . 1 . 1 18 18 ASN HB3 H 1 2.8560 0.0000 . 2 . . . . A 18 ASN HB3 . 30820 1 215 . 1 . 1 18 18 ASN HD21 H 1 7.5330 0.0000 . 2 . . . . A 18 ASN HD21 . 30820 1 216 . 1 . 1 18 18 ASN HD22 H 1 6.8980 0.0000 . 2 . . . . A 18 ASN HD22 . 30820 1 217 . 1 . 1 18 18 ASN CA C 13 50.9390 0.0000 . 1 . . . . A 18 ASN CA . 30820 1 218 . 1 . 1 18 18 ASN CB C 13 38.0780 0.0000 . 1 . . . . A 18 ASN CB . 30820 1 219 . 1 . 1 18 18 ASN N N 15 114.8480 0.0000 . 1 . . . . A 18 ASN N . 30820 1 220 . 1 . 1 18 18 ASN ND2 N 15 109.7510 0.0000 . 1 . . . . A 18 ASN ND2 . 30820 1 221 . 1 . 1 19 19 PRO HA H 1 4.5820 0.0000 . 1 . . . . A 19 PRO HA . 30820 1 222 . 1 . 1 19 19 PRO HB2 H 1 2.3020 0.0000 . 2 . . . . A 19 PRO HB2 . 30820 1 223 . 1 . 1 19 19 PRO HB3 H 1 2.3020 0.0000 . 2 . . . . A 19 PRO HB3 . 30820 1 224 . 1 . 1 19 19 PRO HG2 H 1 2.0280 0.0000 . 2 . . . . A 19 PRO HG2 . 30820 1 225 . 1 . 1 19 19 PRO HG3 H 1 2.0270 0.0000 . 2 . . . . A 19 PRO HG3 . 30820 1 226 . 1 . 1 19 19 PRO HD2 H 1 3.8410 0.0000 . 2 . . . . A 19 PRO HD2 . 30820 1 227 . 1 . 1 19 19 PRO HD3 H 1 3.3220 0.0000 . 2 . . . . A 19 PRO HD3 . 30820 1 228 . 1 . 1 19 19 PRO C C 13 178.5870 0.0000 . 1 . . . . A 19 PRO C . 30820 1 229 . 1 . 1 19 19 PRO CA C 13 65.4840 0.0000 . 1 . . . . A 19 PRO CA . 30820 1 230 . 1 . 1 19 19 PRO CB C 13 30.1640 0.0000 . 1 . . . . A 19 PRO CB . 30820 1 231 . 1 . 1 19 19 PRO CG C 13 27.3250 0.0000 . 1 . . . . A 19 PRO CG . 30820 1 232 . 1 . 1 19 19 PRO CD C 13 49.9730 0.0000 . 1 . . . . A 19 PRO CD . 30820 1 233 . 1 . 1 20 20 ALA H H 1 7.7750 0.0000 . 1 . . . . A 20 ALA H . 30820 1 234 . 1 . 1 20 20 ALA HA H 1 4.1700 0.0000 . 1 . . . . A 20 ALA HA . 30820 1 235 . 1 . 1 20 20 ALA HB1 H 1 1.5090 0.0000 . 1 . . . . A 20 ALA HB1 . 30820 1 236 . 1 . 1 20 20 ALA HB2 H 1 1.5090 0.0000 . 1 . . . . A 20 ALA HB2 . 30820 1 237 . 1 . 1 20 20 ALA HB3 H 1 1.5090 0.0000 . 1 . . . . A 20 ALA HB3 . 30820 1 238 . 1 . 1 20 20 ALA C C 13 179.8440 0.0000 . 1 . . . . A 20 ALA C . 30820 1 239 . 1 . 1 20 20 ALA CA C 13 54.2070 0.0000 . 1 . . . . A 20 ALA CA . 30820 1 240 . 1 . 1 20 20 ALA CB C 13 18.0020 0.0000 . 1 . . . . A 20 ALA CB . 30820 1 241 . 1 . 1 20 20 ALA N N 15 119.5920 0.0000 . 1 . . . . A 20 ALA N . 30820 1 242 . 1 . 1 21 21 LEU H H 1 7.7820 0.0000 . 1 . . . . A 21 LEU H . 30820 1 243 . 1 . 1 21 21 LEU HA H 1 4.1040 0.0000 . 1 . . . . A 21 LEU HA . 30820 1 244 . 1 . 1 21 21 LEU HB2 H 1 1.7890 0.0000 . 2 . . . . A 21 LEU HB2 . 30820 1 245 . 1 . 1 21 21 LEU HB3 H 1 1.5970 0.0000 . 2 . . . . A 21 LEU HB3 . 30820 1 246 . 1 . 1 21 21 LEU HG H 1 1.7380 0.0000 . 1 . . . . A 21 LEU HG . 30820 1 247 . 1 . 1 21 21 LEU HD11 H 1 0.9630 0.0000 . 2 . . . . A 21 LEU HD11 . 30820 1 248 . 1 . 1 21 21 LEU HD12 H 1 0.9630 0.0000 . 2 . . . . A 21 LEU HD12 . 30820 1 249 . 1 . 1 21 21 LEU HD13 H 1 0.9630 0.0000 . 2 . . . . A 21 LEU HD13 . 30820 1 250 . 1 . 1 21 21 LEU HD21 H 1 0.9060 0.0000 . 2 . . . . A 21 LEU HD21 . 30820 1 251 . 1 . 1 21 21 LEU HD22 H 1 0.9060 0.0000 . 2 . . . . A 21 LEU HD22 . 30820 1 252 . 1 . 1 21 21 LEU HD23 H 1 0.9060 0.0000 . 2 . . . . A 21 LEU HD23 . 30820 1 253 . 1 . 1 21 21 LEU C C 13 178.4410 0.0000 . 1 . . . . A 21 LEU C . 30820 1 254 . 1 . 1 21 21 LEU CA C 13 57.7090 0.0000 . 1 . . . . A 21 LEU CA . 30820 1 255 . 1 . 1 21 21 LEU CB C 13 43.2280 0.0000 . 1 . . . . A 21 LEU CB . 30820 1 256 . 1 . 1 21 21 LEU CG C 13 26.9260 0.0000 . 1 . . . . A 21 LEU CG . 30820 1 257 . 1 . 1 21 21 LEU CD1 C 13 24.3670 0.0000 . 2 . . . . A 21 LEU CD1 . 30820 1 258 . 1 . 1 21 21 LEU CD2 C 13 24.7150 0.0000 . 2 . . . . A 21 LEU CD2 . 30820 1 259 . 1 . 1 21 21 LEU N N 15 121.4450 0.0000 . 1 . . . . A 21 LEU N . 30820 1 260 . 1 . 1 22 22 ILE H H 1 6.9390 0.0000 . 1 . . . . A 22 ILE H . 30820 1 261 . 1 . 1 22 22 ILE HA H 1 4.8040 0.0000 . 1 . . . . A 22 ILE HA . 30820 1 262 . 1 . 1 22 22 ILE HB H 1 2.2440 0.0000 . 1 . . . . A 22 ILE HB . 30820 1 263 . 1 . 1 22 22 ILE HG12 H 1 1.3840 0.0000 . 2 . . . . A 22 ILE HG12 . 30820 1 264 . 1 . 1 22 22 ILE HG21 H 1 0.9790 0.0000 . 1 . . . . A 22 ILE HG21 . 30820 1 265 . 1 . 1 22 22 ILE HG22 H 1 0.9790 0.0000 . 1 . . . . A 22 ILE HG22 . 30820 1 266 . 1 . 1 22 22 ILE HG23 H 1 0.9790 0.0000 . 1 . . . . A 22 ILE HG23 . 30820 1 267 . 1 . 1 22 22 ILE HD11 H 1 0.8670 0.0000 . 1 . . . . A 22 ILE HD11 . 30820 1 268 . 1 . 1 22 22 ILE HD12 H 1 0.8670 0.0000 . 1 . . . . A 22 ILE HD12 . 30820 1 269 . 1 . 1 22 22 ILE HD13 H 1 0.8670 0.0000 . 1 . . . . A 22 ILE HD13 . 30820 1 270 . 1 . 1 22 22 ILE C C 13 175.7080 0.0000 . 1 . . . . A 22 ILE C . 30820 1 271 . 1 . 1 22 22 ILE CA C 13 58.9990 0.0000 . 1 . . . . A 22 ILE CA . 30820 1 272 . 1 . 1 22 22 ILE CB C 13 38.4370 0.0000 . 1 . . . . A 22 ILE CB . 30820 1 273 . 1 . 1 22 22 ILE CG1 C 13 25.4890 0.0000 . 1 . . . . A 22 ILE CG1 . 30820 1 274 . 1 . 1 22 22 ILE CG2 C 13 17.8460 0.0000 . 1 . . . . A 22 ILE CG2 . 30820 1 275 . 1 . 1 22 22 ILE CD1 C 13 14.8990 0.0000 . 1 . . . . A 22 ILE CD1 . 30820 1 276 . 1 . 1 22 22 ILE N N 15 103.6930 0.0000 . 1 . . . . A 22 ILE N . 30820 1 277 . 1 . 1 23 23 GLY H H 1 7.7540 0.0000 . 1 . . . . A 23 GLY H . 30820 1 278 . 1 . 1 23 23 GLY HA2 H 1 3.9820 0.0000 . 2 . . . . A 23 GLY HA2 . 30820 1 279 . 1 . 1 23 23 GLY HA3 H 1 3.8620 0.0000 . 2 . . . . A 23 GLY HA3 . 30820 1 280 . 1 . 1 23 23 GLY C C 13 174.0550 0.0000 . 1 . . . . A 23 GLY C . 30820 1 281 . 1 . 1 23 23 GLY CA C 13 46.6630 0.0000 . 1 . . . . A 23 GLY CA . 30820 1 282 . 1 . 1 23 23 GLY N N 15 110.8330 0.0000 . 1 . . . . A 23 GLY N . 30820 1 283 . 1 . 1 24 24 LEU H H 1 7.5200 0.0000 . 1 . . . . A 24 LEU H . 30820 1 284 . 1 . 1 24 24 LEU HA H 1 4.2710 0.0000 . 1 . . . . A 24 LEU HA . 30820 1 285 . 1 . 1 24 24 LEU HB2 H 1 1.7930 0.0000 . 2 . . . . A 24 LEU HB2 . 30820 1 286 . 1 . 1 24 24 LEU HB3 H 1 1.0920 0.0000 . 2 . . . . A 24 LEU HB3 . 30820 1 287 . 1 . 1 24 24 LEU HG H 1 1.4580 0.0000 . 1 . . . . A 24 LEU HG . 30820 1 288 . 1 . 1 24 24 LEU HD11 H 1 0.8800 0.0000 . 2 . . . . A 24 LEU HD11 . 30820 1 289 . 1 . 1 24 24 LEU HD12 H 1 0.8800 0.0000 . 2 . . . . A 24 LEU HD12 . 30820 1 290 . 1 . 1 24 24 LEU HD13 H 1 0.8800 0.0000 . 2 . . . . A 24 LEU HD13 . 30820 1 291 . 1 . 1 24 24 LEU HD21 H 1 0.7360 0.0000 . 2 . . . . A 24 LEU HD21 . 30820 1 292 . 1 . 1 24 24 LEU HD22 H 1 0.7360 0.0000 . 2 . . . . A 24 LEU HD22 . 30820 1 293 . 1 . 1 24 24 LEU HD23 H 1 0.7360 0.0000 . 2 . . . . A 24 LEU HD23 . 30820 1 294 . 1 . 1 24 24 LEU C C 13 174.1940 0.0000 . 1 . . . . A 24 LEU C . 30820 1 295 . 1 . 1 24 24 LEU CA C 13 53.8010 0.0000 . 1 . . . . A 24 LEU CA . 30820 1 296 . 1 . 1 24 24 LEU CB C 13 45.1220 0.0000 . 1 . . . . A 24 LEU CB . 30820 1 297 . 1 . 1 24 24 LEU CG C 13 26.7530 0.0000 . 1 . . . . A 24 LEU CG . 30820 1 298 . 1 . 1 24 24 LEU CD1 C 13 23.7990 0.0000 . 2 . . . . A 24 LEU CD1 . 30820 1 299 . 1 . 1 24 24 LEU CD2 C 13 27.1230 0.0000 . 2 . . . . A 24 LEU CD2 . 30820 1 300 . 1 . 1 24 24 LEU N N 15 122.0480 0.0000 . 1 . . . . A 24 LEU N . 30820 1 301 . 1 . 1 25 25 ASP H H 1 8.5910 0.0000 . 1 . . . . A 25 ASP H . 30820 1 302 . 1 . 1 25 25 ASP HA H 1 4.8810 0.0000 . 1 . . . . A 25 ASP HA . 30820 1 303 . 1 . 1 25 25 ASP HB2 H 1 2.6090 0.0000 . 2 . . . . A 25 ASP HB2 . 30820 1 304 . 1 . 1 25 25 ASP HB3 H 1 2.6090 0.0000 . 2 . . . . A 25 ASP HB3 . 30820 1 305 . 1 . 1 25 25 ASP C C 13 174.9470 0.0000 . 1 . . . . A 25 ASP C . 30820 1 306 . 1 . 1 25 25 ASP CA C 13 53.3500 0.0000 . 1 . . . . A 25 ASP CA . 30820 1 307 . 1 . 1 25 25 ASP CB C 13 42.0900 0.0000 . 1 . . . . A 25 ASP CB . 30820 1 308 . 1 . 1 25 25 ASP N N 15 125.9400 0.0000 . 1 . . . . A 25 ASP N . 30820 1 309 . 1 . 1 26 26 LEU H H 1 8.3800 0.0000 . 1 . . . . A 26 LEU H . 30820 1 310 . 1 . 1 26 26 LEU HA H 1 4.8220 0.0000 . 1 . . . . A 26 LEU HA . 30820 1 311 . 1 . 1 26 26 LEU HB2 H 1 1.7870 0.0000 . 2 . . . . A 26 LEU HB2 . 30820 1 312 . 1 . 1 26 26 LEU HB3 H 1 1.2480 0.0000 . 2 . . . . A 26 LEU HB3 . 30820 1 313 . 1 . 1 26 26 LEU HG H 1 1.5730 0.0000 . 1 . . . . A 26 LEU HG . 30820 1 314 . 1 . 1 26 26 LEU HD11 H 1 0.8320 0.0000 . 2 . . . . A 26 LEU HD11 . 30820 1 315 . 1 . 1 26 26 LEU HD12 H 1 0.8320 0.0000 . 2 . . . . A 26 LEU HD12 . 30820 1 316 . 1 . 1 26 26 LEU HD13 H 1 0.8320 0.0000 . 2 . . . . A 26 LEU HD13 . 30820 1 317 . 1 . 1 26 26 LEU HD21 H 1 0.9340 0.0000 . 2 . . . . A 26 LEU HD21 . 30820 1 318 . 1 . 1 26 26 LEU HD22 H 1 0.9340 0.0000 . 2 . . . . A 26 LEU HD22 . 30820 1 319 . 1 . 1 26 26 LEU HD23 H 1 0.9340 0.0000 . 2 . . . . A 26 LEU HD23 . 30820 1 320 . 1 . 1 26 26 LEU C C 13 177.9240 0.0000 . 1 . . . . A 26 LEU C . 30820 1 321 . 1 . 1 26 26 LEU CA C 13 52.8880 0.0000 . 1 . . . . A 26 LEU CA . 30820 1 322 . 1 . 1 26 26 LEU CB C 13 43.1240 0.0000 . 1 . . . . A 26 LEU CB . 30820 1 323 . 1 . 1 26 26 LEU CG C 13 26.9790 0.0000 . 1 . . . . A 26 LEU CG . 30820 1 324 . 1 . 1 26 26 LEU CD1 C 13 23.2890 0.0000 . 2 . . . . A 26 LEU CD1 . 30820 1 325 . 1 . 1 26 26 LEU CD2 C 13 25.4320 0.0000 . 2 . . . . A 26 LEU CD2 . 30820 1 326 . 1 . 1 26 26 LEU N N 15 122.2170 0.0000 . 1 . . . . A 26 LEU N . 30820 1 327 . 1 . 1 27 27 ASP H H 1 8.5320 0.0000 . 1 . . . . A 27 ASP H . 30820 1 328 . 1 . 1 27 27 ASP HA H 1 4.7310 0.0000 . 1 . . . . A 27 ASP HA . 30820 1 329 . 1 . 1 27 27 ASP HB2 H 1 3.4940 0.0000 . 2 . . . . A 27 ASP HB2 . 30820 1 330 . 1 . 1 27 27 ASP HB3 H 1 2.9290 0.0000 . 2 . . . . A 27 ASP HB3 . 30820 1 331 . 1 . 1 27 27 ASP C C 13 178.1080 0.0000 . 1 . . . . A 27 ASP C . 30820 1 332 . 1 . 1 27 27 ASP CA C 13 52.3930 0.0000 . 1 . . . . A 27 ASP CA . 30820 1 333 . 1 . 1 27 27 ASP CB C 13 41.0010 0.0000 . 1 . . . . A 27 ASP CB . 30820 1 334 . 1 . 1 27 27 ASP N N 15 121.0820 0.0000 . 1 . . . . A 27 ASP N . 30820 1 335 . 1 . 1 28 28 ALA H H 1 8.4630 0.0000 . 1 . . . . A 28 ALA H . 30820 1 336 . 1 . 1 28 28 ALA HA H 1 4.1260 0.0000 . 1 . . . . A 28 ALA HA . 30820 1 337 . 1 . 1 28 28 ALA HB1 H 1 1.4530 0.0000 . 1 . . . . A 28 ALA HB1 . 30820 1 338 . 1 . 1 28 28 ALA HB2 H 1 1.4530 0.0000 . 1 . . . . A 28 ALA HB2 . 30820 1 339 . 1 . 1 28 28 ALA HB3 H 1 1.4530 0.0000 . 1 . . . . A 28 ALA HB3 . 30820 1 340 . 1 . 1 28 28 ALA C C 13 178.5440 0.0000 . 1 . . . . A 28 ALA C . 30820 1 341 . 1 . 1 28 28 ALA CA C 13 54.6360 0.0000 . 1 . . . . A 28 ALA CA . 30820 1 342 . 1 . 1 28 28 ALA CB C 13 18.7790 0.0000 . 1 . . . . A 28 ALA CB . 30820 1 343 . 1 . 1 28 28 ALA N N 15 119.2460 0.0000 . 1 . . . . A 28 ALA N . 30820 1 344 . 1 . 1 29 29 ASN H H 1 8.4540 0.0000 . 1 . . . . A 29 ASN H . 30820 1 345 . 1 . 1 29 29 ASN HA H 1 4.9270 0.0000 . 1 . . . . A 29 ASN HA . 30820 1 346 . 1 . 1 29 29 ASN HB2 H 1 2.8550 0.0000 . 2 . . . . A 29 ASN HB2 . 30820 1 347 . 1 . 1 29 29 ASN HB3 H 1 2.9920 0.0000 . 2 . . . . A 29 ASN HB3 . 30820 1 348 . 1 . 1 29 29 ASN HD21 H 1 7.1530 0.0000 . 2 . . . . A 29 ASN HD21 . 30820 1 349 . 1 . 1 29 29 ASN HD22 H 1 8.0790 0.0000 . 2 . . . . A 29 ASN HD22 . 30820 1 350 . 1 . 1 29 29 ASN C C 13 174.0930 0.0000 . 1 . . . . A 29 ASN C . 30820 1 351 . 1 . 1 29 29 ASN CA C 13 52.5440 0.0000 . 1 . . . . A 29 ASN CA . 30820 1 352 . 1 . 1 29 29 ASN CB C 13 40.4060 0.0000 . 1 . . . . A 29 ASN CB . 30820 1 353 . 1 . 1 29 29 ASN N N 15 114.1930 0.0000 . 1 . . . . A 29 ASN N . 30820 1 354 . 1 . 1 29 29 ASN ND2 N 15 115.3590 0.0000 . 1 . . . . A 29 ASN ND2 . 30820 1 355 . 1 . 1 30 30 GLY H H 1 8.1950 0.0000 . 1 . . . . A 30 GLY H . 30820 1 356 . 1 . 1 30 30 GLY HA2 H 1 4.1650 0.0000 . 2 . . . . A 30 GLY HA2 . 30820 1 357 . 1 . 1 30 30 GLY HA3 H 1 3.5660 0.0000 . 2 . . . . A 30 GLY HA3 . 30820 1 358 . 1 . 1 30 30 GLY C C 13 173.1740 0.0000 . 1 . . . . A 30 GLY C . 30820 1 359 . 1 . 1 30 30 GLY CA C 13 45.3310 0.0000 . 1 . . . . A 30 GLY CA . 30820 1 360 . 1 . 1 30 30 GLY N N 15 107.8220 0.0000 . 1 . . . . A 30 GLY N . 30820 1 361 . 1 . 1 31 31 TRP H H 1 8.3220 0.0000 . 1 . . . . A 31 TRP H . 30820 1 362 . 1 . 1 31 31 TRP HA H 1 4.7130 0.0000 . 1 . . . . A 31 TRP HA . 30820 1 363 . 1 . 1 31 31 TRP HB2 H 1 2.9150 0.0000 . 2 . . . . A 31 TRP HB2 . 30820 1 364 . 1 . 1 31 31 TRP HB3 H 1 3.4350 0.0000 . 2 . . . . A 31 TRP HB3 . 30820 1 365 . 1 . 1 31 31 TRP HD1 H 1 7.8560 0.0000 . 1 . . . . A 31 TRP HD1 . 30820 1 366 . 1 . 1 31 31 TRP HE1 H 1 10.4240 0.0000 . 1 . . . . A 31 TRP HE1 . 30820 1 367 . 1 . 1 31 31 TRP HE3 H 1 7.2080 0.0000 . 1 . . . . A 31 TRP HE3 . 30820 1 368 . 1 . 1 31 31 TRP HZ2 H 1 7.3830 0.0000 . 1 . . . . A 31 TRP HZ2 . 30820 1 369 . 1 . 1 31 31 TRP HZ3 H 1 7.0190 0.0000 . 1 . . . . A 31 TRP HZ3 . 30820 1 370 . 1 . 1 31 31 TRP HH2 H 1 6.8270 0.0000 . 1 . . . . A 31 TRP HH2 . 30820 1 371 . 1 . 1 31 31 TRP C C 13 177.1760 0.0000 . 1 . . . . A 31 TRP C . 30820 1 372 . 1 . 1 31 31 TRP CA C 13 57.2350 0.0000 . 1 . . . . A 31 TRP CA . 30820 1 373 . 1 . 1 31 31 TRP CB C 13 30.5780 0.0000 . 1 . . . . A 31 TRP CB . 30820 1 374 . 1 . 1 31 31 TRP CD1 C 13 129.8360 0.0000 . 1 . . . . A 31 TRP CD1 . 30820 1 375 . 1 . 1 31 31 TRP CE3 C 13 119.9690 0.0000 . 1 . . . . A 31 TRP CE3 . 30820 1 376 . 1 . 1 31 31 TRP CZ2 C 13 114.8630 0.0000 . 1 . . . . A 31 TRP CZ2 . 30820 1 377 . 1 . 1 31 31 TRP CZ3 C 13 122.8760 0.0000 . 1 . . . . A 31 TRP CZ3 . 30820 1 378 . 1 . 1 31 31 TRP CH2 C 13 123.5520 0.0000 . 1 . . . . A 31 TRP CH2 . 30820 1 379 . 1 . 1 31 31 TRP N N 15 119.6770 0.0000 . 1 . . . . A 31 TRP N . 30820 1 380 . 1 . 1 31 31 TRP NE1 N 15 129.6530 0.0000 . 1 . . . . A 31 TRP NE1 . 30820 1 381 . 1 . 1 32 32 ALA H H 1 9.8130 0.0000 . 1 . . . . A 32 ALA H . 30820 1 382 . 1 . 1 32 32 ALA HA H 1 5.2800 0.0000 . 1 . . . . A 32 ALA HA . 30820 1 383 . 1 . 1 32 32 ALA HB1 H 1 1.3330 0.0000 . 1 . . . . A 32 ALA HB1 . 30820 1 384 . 1 . 1 32 32 ALA HB2 H 1 1.3330 0.0000 . 1 . . . . A 32 ALA HB2 . 30820 1 385 . 1 . 1 32 32 ALA HB3 H 1 1.3330 0.0000 . 1 . . . . A 32 ALA HB3 . 30820 1 386 . 1 . 1 32 32 ALA C C 13 174.9610 0.0000 . 1 . . . . A 32 ALA C . 30820 1 387 . 1 . 1 32 32 ALA CA C 13 48.2050 0.0000 . 1 . . . . A 32 ALA CA . 30820 1 388 . 1 . 1 32 32 ALA CB C 13 21.5020 0.0000 . 1 . . . . A 32 ALA CB . 30820 1 389 . 1 . 1 32 32 ALA N N 15 124.1480 0.0000 . 1 . . . . A 32 ALA N . 30820 1 390 . 1 . 1 33 33 PRO HA H 1 4.9890 0.0000 . 1 . . . . A 33 PRO HA . 30820 1 391 . 1 . 1 33 33 PRO HB2 H 1 2.6410 0.0000 . 2 . . . . A 33 PRO HB2 . 30820 1 392 . 1 . 1 33 33 PRO HB3 H 1 2.1490 0.0000 . 2 . . . . A 33 PRO HB3 . 30820 1 393 . 1 . 1 33 33 PRO HG2 H 1 2.4230 0.0000 . 2 . . . . A 33 PRO HG2 . 30820 1 394 . 1 . 1 33 33 PRO HG3 H 1 2.1030 0.0000 . 2 . . . . A 33 PRO HG3 . 30820 1 395 . 1 . 1 33 33 PRO HD2 H 1 4.2510 0.0000 . 2 . . . . A 33 PRO HD2 . 30820 1 396 . 1 . 1 33 33 PRO HD3 H 1 3.6230 0.0000 . 2 . . . . A 33 PRO HD3 . 30820 1 397 . 1 . 1 33 33 PRO C C 13 178.3180 0.0000 . 1 . . . . A 33 PRO C . 30820 1 398 . 1 . 1 33 33 PRO CA C 13 61.8810 0.0000 . 1 . . . . A 33 PRO CA . 30820 1 399 . 1 . 1 33 33 PRO CB C 13 31.5400 0.0000 . 1 . . . . A 33 PRO CB . 30820 1 400 . 1 . 1 33 33 PRO CG C 13 28.3190 0.0000 . 1 . . . . A 33 PRO CG . 30820 1 401 . 1 . 1 33 33 PRO CD C 13 51.2030 0.0000 . 1 . . . . A 33 PRO CD . 30820 1 402 . 1 . 1 34 34 VAL H H 1 9.0610 0.0000 . 1 . . . . A 34 VAL H . 30820 1 403 . 1 . 1 34 34 VAL HA H 1 3.5180 0.0000 . 1 . . . . A 34 VAL HA . 30820 1 404 . 1 . 1 34 34 VAL HB H 1 2.0940 0.0000 . 1 . . . . A 34 VAL HB . 30820 1 405 . 1 . 1 34 34 VAL HG11 H 1 1.0160 0.0000 . 2 . . . . A 34 VAL HG11 . 30820 1 406 . 1 . 1 34 34 VAL HG12 H 1 1.0160 0.0000 . 2 . . . . A 34 VAL HG12 . 30820 1 407 . 1 . 1 34 34 VAL HG13 H 1 1.0160 0.0000 . 2 . . . . A 34 VAL HG13 . 30820 1 408 . 1 . 1 34 34 VAL HG21 H 1 1.0940 0.0000 . 2 . . . . A 34 VAL HG21 . 30820 1 409 . 1 . 1 34 34 VAL HG22 H 1 1.0940 0.0000 . 2 . . . . A 34 VAL HG22 . 30820 1 410 . 1 . 1 34 34 VAL HG23 H 1 1.0940 0.0000 . 2 . . . . A 34 VAL HG23 . 30820 1 411 . 1 . 1 34 34 VAL CA C 13 67.1640 0.0000 . 1 . . . . A 34 VAL CA . 30820 1 412 . 1 . 1 34 34 VAL CB C 13 31.7760 0.0000 . 1 . . . . A 34 VAL CB . 30820 1 413 . 1 . 1 34 34 VAL CG1 C 13 22.6430 0.0000 . 2 . . . . A 34 VAL CG1 . 30820 1 414 . 1 . 1 34 34 VAL CG2 C 13 24.8040 0.0000 . 2 . . . . A 34 VAL CG2 . 30820 1 415 . 1 . 1 34 34 VAL N N 15 129.1470 0.0000 . 1 . . . . A 34 VAL N . 30820 1 416 . 1 . 1 35 35 LYS H H 1 9.0520 0.0000 . 1 . . . . A 35 LYS H . 30820 1 417 . 1 . 1 35 35 LYS HA H 1 4.0070 0.0000 . 1 . . . . A 35 LYS HA . 30820 1 418 . 1 . 1 35 35 LYS HB2 H 1 1.9390 0.0000 . 2 . . . . A 35 LYS HB2 . 30820 1 419 . 1 . 1 35 35 LYS HB3 H 1 1.8780 0.0000 . 2 . . . . A 35 LYS HB3 . 30820 1 420 . 1 . 1 35 35 LYS HG2 H 1 1.6290 0.0000 . 2 . . . . A 35 LYS HG2 . 30820 1 421 . 1 . 1 35 35 LYS HG3 H 1 1.4710 0.0000 . 2 . . . . A 35 LYS HG3 . 30820 1 422 . 1 . 1 35 35 LYS HD2 H 1 1.7670 0.0000 . 2 . . . . A 35 LYS HD2 . 30820 1 423 . 1 . 1 35 35 LYS HD3 H 1 1.7670 0.0000 . 2 . . . . A 35 LYS HD3 . 30820 1 424 . 1 . 1 35 35 LYS HE2 H 1 3.0680 0.0000 . 2 . . . . A 35 LYS HE2 . 30820 1 425 . 1 . 1 35 35 LYS HE3 H 1 3.0680 0.0000 . 2 . . . . A 35 LYS HE3 . 30820 1 426 . 1 . 1 35 35 LYS C C 13 179.5880 0.0000 . 1 . . . . A 35 LYS C . 30820 1 427 . 1 . 1 35 35 LYS CA C 13 60.4540 0.0000 . 1 . . . . A 35 LYS CA . 30820 1 428 . 1 . 1 35 35 LYS CB C 13 32.0180 0.0000 . 1 . . . . A 35 LYS CB . 30820 1 429 . 1 . 1 35 35 LYS CG C 13 25.3400 0.0000 . 1 . . . . A 35 LYS CG . 30820 1 430 . 1 . 1 35 35 LYS CD C 13 29.2410 0.0000 . 1 . . . . A 35 LYS CD . 30820 1 431 . 1 . 1 35 35 LYS CE C 13 41.7970 0.0000 . 1 . . . . A 35 LYS CE . 30820 1 432 . 1 . 1 35 35 LYS N N 15 118.0800 0.0000 . 1 . . . . A 35 LYS N . 30820 1 433 . 1 . 1 36 36 GLU H H 1 7.0240 0.0000 . 1 . . . . A 36 GLU H . 30820 1 434 . 1 . 1 36 36 GLU HA H 1 4.2700 0.0000 . 1 . . . . A 36 GLU HA . 30820 1 435 . 1 . 1 36 36 GLU HB2 H 1 2.1450 0.0000 . 2 . . . . A 36 GLU HB2 . 30820 1 436 . 1 . 1 36 36 GLU HB3 H 1 2.0020 0.0000 . 2 . . . . A 36 GLU HB3 . 30820 1 437 . 1 . 1 36 36 GLU HG2 H 1 2.4360 0.0000 . 2 . . . . A 36 GLU HG2 . 30820 1 438 . 1 . 1 36 36 GLU HG3 H 1 2.2900 0.0000 . 2 . . . . A 36 GLU HG3 . 30820 1 439 . 1 . 1 36 36 GLU C C 13 177.7220 0.0000 . 1 . . . . A 36 GLU C . 30820 1 440 . 1 . 1 36 36 GLU CA C 13 58.8540 0.0000 . 1 . . . . A 36 GLU CA . 30820 1 441 . 1 . 1 36 36 GLU CB C 13 30.2870 0.0000 . 1 . . . . A 36 GLU CB . 30820 1 442 . 1 . 1 36 36 GLU CG C 13 36.2570 0.0000 . 1 . . . . A 36 GLU CG . 30820 1 443 . 1 . 1 36 36 GLU N N 15 118.6980 0.0000 . 1 . . . . A 36 GLU N . 30820 1 444 . 1 . 1 37 37 LEU H H 1 8.2000 0.0000 . 1 . . . . A 37 LEU H . 30820 1 445 . 1 . 1 37 37 LEU HA H 1 3.9360 0.0000 . 1 . . . . A 37 LEU HA . 30820 1 446 . 1 . 1 37 37 LEU HB2 H 1 2.1870 0.0000 . 2 . . . . A 37 LEU HB2 . 30820 1 447 . 1 . 1 37 37 LEU HB3 H 1 1.3430 0.0000 . 2 . . . . A 37 LEU HB3 . 30820 1 448 . 1 . 1 37 37 LEU HG H 1 1.4770 0.0000 . 1 . . . . A 37 LEU HG . 30820 1 449 . 1 . 1 37 37 LEU HD11 H 1 0.7940 0.0000 . 2 . . . . A 37 LEU HD11 . 30820 1 450 . 1 . 1 37 37 LEU HD12 H 1 0.7940 0.0000 . 2 . . . . A 37 LEU HD12 . 30820 1 451 . 1 . 1 37 37 LEU HD13 H 1 0.7940 0.0000 . 2 . . . . A 37 LEU HD13 . 30820 1 452 . 1 . 1 37 37 LEU HD21 H 1 0.8350 0.0000 . 2 . . . . A 37 LEU HD21 . 30820 1 453 . 1 . 1 37 37 LEU HD22 H 1 0.8350 0.0000 . 2 . . . . A 37 LEU HD22 . 30820 1 454 . 1 . 1 37 37 LEU HD23 H 1 0.8350 0.0000 . 2 . . . . A 37 LEU HD23 . 30820 1 455 . 1 . 1 37 37 LEU C C 13 178.2790 0.0000 . 1 . . . . A 37 LEU C . 30820 1 456 . 1 . 1 37 37 LEU CA C 13 59.0570 0.0000 . 1 . . . . A 37 LEU CA . 30820 1 457 . 1 . 1 37 37 LEU CB C 13 41.8600 0.0000 . 1 . . . . A 37 LEU CB . 30820 1 458 . 1 . 1 37 37 LEU CG C 13 27.1580 0.0000 . 1 . . . . A 37 LEU CG . 30820 1 459 . 1 . 1 37 37 LEU CD1 C 13 23.9970 0.0000 . 2 . . . . A 37 LEU CD1 . 30820 1 460 . 1 . 1 37 37 LEU CD2 C 13 27.1280 0.0000 . 2 . . . . A 37 LEU CD2 . 30820 1 461 . 1 . 1 37 37 LEU N N 15 120.1470 0.0000 . 1 . . . . A 37 LEU N . 30820 1 462 . 1 . 1 38 38 LEU H H 1 8.7540 0.0000 . 1 . . . . A 38 LEU H . 30820 1 463 . 1 . 1 38 38 LEU HA H 1 4.0550 0.0000 . 1 . . . . A 38 LEU HA . 30820 1 464 . 1 . 1 38 38 LEU HB2 H 1 1.9880 0.0000 . 2 . . . . A 38 LEU HB2 . 30820 1 465 . 1 . 1 38 38 LEU HB3 H 1 1.5360 0.0000 . 2 . . . . A 38 LEU HB3 . 30820 1 466 . 1 . 1 38 38 LEU HG H 1 1.9530 0.0000 . 1 . . . . A 38 LEU HG . 30820 1 467 . 1 . 1 38 38 LEU HD11 H 1 0.9310 0.0000 . 2 . . . . A 38 LEU HD11 . 30820 1 468 . 1 . 1 38 38 LEU HD12 H 1 0.9310 0.0000 . 2 . . . . A 38 LEU HD12 . 30820 1 469 . 1 . 1 38 38 LEU HD13 H 1 0.9310 0.0000 . 2 . . . . A 38 LEU HD13 . 30820 1 470 . 1 . 1 38 38 LEU HD21 H 1 0.8780 0.0000 . 2 . . . . A 38 LEU HD21 . 30820 1 471 . 1 . 1 38 38 LEU HD22 H 1 0.8780 0.0000 . 2 . . . . A 38 LEU HD22 . 30820 1 472 . 1 . 1 38 38 LEU HD23 H 1 0.8780 0.0000 . 2 . . . . A 38 LEU HD23 . 30820 1 473 . 1 . 1 38 38 LEU C C 13 180.4400 0.0000 . 1 . . . . A 38 LEU C . 30820 1 474 . 1 . 1 38 38 LEU CA C 13 58.3580 0.0000 . 1 . . . . A 38 LEU CA . 30820 1 475 . 1 . 1 38 38 LEU CB C 13 41.2400 0.0000 . 1 . . . . A 38 LEU CB . 30820 1 476 . 1 . 1 38 38 LEU CG C 13 26.7400 0.0000 . 1 . . . . A 38 LEU CG . 30820 1 477 . 1 . 1 38 38 LEU CD1 C 13 25.9290 0.0000 . 2 . . . . A 38 LEU CD1 . 30820 1 478 . 1 . 1 38 38 LEU CD2 C 13 22.7720 0.0000 . 2 . . . . A 38 LEU CD2 . 30820 1 479 . 1 . 1 38 38 LEU N N 15 116.3530 0.0000 . 1 . . . . A 38 LEU N . 30820 1 480 . 1 . 1 39 39 ALA H H 1 7.7760 0.0000 . 1 . . . . A 39 ALA H . 30820 1 481 . 1 . 1 39 39 ALA HA H 1 4.2510 0.0000 . 1 . . . . A 39 ALA HA . 30820 1 482 . 1 . 1 39 39 ALA HB1 H 1 1.6020 0.0000 . 1 . . . . A 39 ALA HB1 . 30820 1 483 . 1 . 1 39 39 ALA HB2 H 1 1.6020 0.0000 . 1 . . . . A 39 ALA HB2 . 30820 1 484 . 1 . 1 39 39 ALA HB3 H 1 1.6020 0.0000 . 1 . . . . A 39 ALA HB3 . 30820 1 485 . 1 . 1 39 39 ALA C C 13 181.2580 0.0000 . 1 . . . . A 39 ALA C . 30820 1 486 . 1 . 1 39 39 ALA CA C 13 55.4570 0.0000 . 1 . . . . A 39 ALA CA . 30820 1 487 . 1 . 1 39 39 ALA CB C 13 18.1970 0.0000 . 1 . . . . A 39 ALA CB . 30820 1 488 . 1 . 1 39 39 ALA N N 15 122.6360 0.0000 . 1 . . . . A 39 ALA N . 30820 1 489 . 1 . 1 40 40 LYS H H 1 8.7340 0.0000 . 1 . . . . A 40 LYS H . 30820 1 490 . 1 . 1 40 40 LYS HA H 1 4.1980 0.0000 . 1 . . . . A 40 LYS HA . 30820 1 491 . 1 . 1 40 40 LYS HB2 H 1 2.1030 0.0000 . 2 . . . . A 40 LYS HB2 . 30820 1 492 . 1 . 1 40 40 LYS HB3 H 1 1.8750 0.0000 . 2 . . . . A 40 LYS HB3 . 30820 1 493 . 1 . 1 40 40 LYS HG2 H 1 1.4600 0.0000 . 2 . . . . A 40 LYS HG2 . 30820 1 494 . 1 . 1 40 40 LYS HG3 H 1 1.6220 0.0000 . 2 . . . . A 40 LYS HG3 . 30820 1 495 . 1 . 1 40 40 LYS HD2 H 1 1.6890 0.0000 . 2 . . . . A 40 LYS HD2 . 30820 1 496 . 1 . 1 40 40 LYS HD3 H 1 1.6890 0.0000 . 2 . . . . A 40 LYS HD3 . 30820 1 497 . 1 . 1 40 40 LYS HE2 H 1 2.8140 0.0000 . 2 . . . . A 40 LYS HE2 . 30820 1 498 . 1 . 1 40 40 LYS HE3 H 1 2.8140 0.0000 . 2 . . . . A 40 LYS HE3 . 30820 1 499 . 1 . 1 40 40 LYS C C 13 179.8060 0.0000 . 1 . . . . A 40 LYS C . 30820 1 500 . 1 . 1 40 40 LYS CA C 13 59.6240 0.0000 . 1 . . . . A 40 LYS CA . 30820 1 501 . 1 . 1 40 40 LYS CB C 13 32.5500 0.0000 . 1 . . . . A 40 LYS CB . 30820 1 502 . 1 . 1 40 40 LYS CG C 13 25.9290 0.0000 . 1 . . . . A 40 LYS CG . 30820 1 503 . 1 . 1 40 40 LYS CD C 13 29.0790 0.0000 . 1 . . . . A 40 LYS CD . 30820 1 504 . 1 . 1 40 40 LYS CE C 13 41.7590 0.0000 . 1 . . . . A 40 LYS CE . 30820 1 505 . 1 . 1 40 40 LYS N N 15 120.4980 0.0000 . 1 . . . . A 40 LYS N . 30820 1 506 . 1 . 1 41 41 MET H H 1 8.8810 0.0000 . 1 . . . . A 41 MET H . 30820 1 507 . 1 . 1 41 41 MET HA H 1 3.9920 0.0000 . 1 . . . . A 41 MET HA . 30820 1 508 . 1 . 1 41 41 MET HB2 H 1 2.4380 0.0000 . 2 . . . . A 41 MET HB2 . 30820 1 509 . 1 . 1 41 41 MET HB3 H 1 2.2270 0.0000 . 2 . . . . A 41 MET HB3 . 30820 1 510 . 1 . 1 41 41 MET HG2 H 1 2.6920 0.0000 . 2 . . . . A 41 MET HG2 . 30820 1 511 . 1 . 1 41 41 MET HG3 H 1 2.4870 0.0000 . 2 . . . . A 41 MET HG3 . 30820 1 512 . 1 . 1 41 41 MET HE1 H 1 2.1470 0.0000 . 1 . . . . A 41 MET HE1 . 30820 1 513 . 1 . 1 41 41 MET HE2 H 1 2.1470 0.0000 . 1 . . . . A 41 MET HE2 . 30820 1 514 . 1 . 1 41 41 MET HE3 H 1 2.1470 0.0000 . 1 . . . . A 41 MET HE3 . 30820 1 515 . 1 . 1 41 41 MET C C 13 178.7990 0.0000 . 1 . . . . A 41 MET C . 30820 1 516 . 1 . 1 41 41 MET CA C 13 59.8220 0.0000 . 1 . . . . A 41 MET CA . 30820 1 517 . 1 . 1 41 41 MET CB C 13 32.9570 0.0000 . 1 . . . . A 41 MET CB . 30820 1 518 . 1 . 1 41 41 MET CG C 13 34.0680 0.0000 . 1 . . . . A 41 MET CG . 30820 1 519 . 1 . 1 41 41 MET CE C 13 17.1600 0.0000 . 1 . . . . A 41 MET CE . 30820 1 520 . 1 . 1 41 41 MET N N 15 119.4980 0.0000 . 1 . . . . A 41 MET N . 30820 1 521 . 1 . 1 42 42 LYS H H 1 7.8130 0.0000 . 1 . . . . A 42 LYS H . 30820 1 522 . 1 . 1 42 42 LYS HA H 1 3.7850 0.0000 . 1 . . . . A 42 LYS HA . 30820 1 523 . 1 . 1 42 42 LYS HB2 H 1 2.1430 0.0000 . 2 . . . . A 42 LYS HB2 . 30820 1 524 . 1 . 1 42 42 LYS HB3 H 1 2.0560 0.0000 . 2 . . . . A 42 LYS HB3 . 30820 1 525 . 1 . 1 42 42 LYS HG2 H 1 1.5440 0.0000 . 2 . . . . A 42 LYS HG2 . 30820 1 526 . 1 . 1 42 42 LYS HG3 H 1 1.4650 0.0000 . 2 . . . . A 42 LYS HG3 . 30820 1 527 . 1 . 1 42 42 LYS HD2 H 1 1.7510 0.0000 . 2 . . . . A 42 LYS HD2 . 30820 1 528 . 1 . 1 42 42 LYS HE2 H 1 3.0060 0.0000 . 2 . . . . A 42 LYS HE2 . 30820 1 529 . 1 . 1 42 42 LYS HE3 H 1 3.0060 0.0000 . 2 . . . . A 42 LYS HE3 . 30820 1 530 . 1 . 1 42 42 LYS C C 13 179.9010 0.0000 . 1 . . . . A 42 LYS C . 30820 1 531 . 1 . 1 42 42 LYS CA C 13 59.5750 0.0000 . 1 . . . . A 42 LYS CA . 30820 1 532 . 1 . 1 42 42 LYS CB C 13 31.9650 0.0000 . 1 . . . . A 42 LYS CB . 30820 1 533 . 1 . 1 42 42 LYS CG C 13 25.0460 0.0000 . 1 . . . . A 42 LYS CG . 30820 1 534 . 1 . 1 42 42 LYS CD C 13 29.3390 0.0000 . 1 . . . . A 42 LYS CD . 30820 1 535 . 1 . 1 42 42 LYS CE C 13 41.7990 0.0000 . 1 . . . . A 42 LYS CE . 30820 1 536 . 1 . 1 42 42 LYS N N 15 120.2730 0.0000 . 1 . . . . A 42 LYS N . 30820 1 537 . 1 . 1 43 43 ALA H H 1 7.8890 0.0000 . 1 . . . . A 43 ALA H . 30820 1 538 . 1 . 1 43 43 ALA HA H 1 4.2310 0.0000 . 1 . . . . A 43 ALA HA . 30820 1 539 . 1 . 1 43 43 ALA HB1 H 1 1.5970 0.0000 . 1 . . . . A 43 ALA HB1 . 30820 1 540 . 1 . 1 43 43 ALA HB2 H 1 1.5970 0.0000 . 1 . . . . A 43 ALA HB2 . 30820 1 541 . 1 . 1 43 43 ALA HB3 H 1 1.5970 0.0000 . 1 . . . . A 43 ALA HB3 . 30820 1 542 . 1 . 1 43 43 ALA C C 13 178.5500 0.0000 . 1 . . . . A 43 ALA C . 30820 1 543 . 1 . 1 43 43 ALA CA C 13 54.4020 0.0000 . 1 . . . . A 43 ALA CA . 30820 1 544 . 1 . 1 43 43 ALA CB C 13 18.3790 0.0000 . 1 . . . . A 43 ALA CB . 30820 1 545 . 1 . 1 43 43 ALA N N 15 121.5140 0.0000 . 1 . . . . A 43 ALA N . 30820 1 546 . 1 . 1 44 44 LYS H H 1 7.2400 0.0000 . 1 . . . . A 44 LYS H . 30820 1 547 . 1 . 1 44 44 LYS HA H 1 4.5770 0.0000 . 1 . . . . A 44 LYS HA . 30820 1 548 . 1 . 1 44 44 LYS HB2 H 1 2.2960 0.0000 . 2 . . . . A 44 LYS HB2 . 30820 1 549 . 1 . 1 44 44 LYS HB3 H 1 1.8660 0.0000 . 2 . . . . A 44 LYS HB3 . 30820 1 550 . 1 . 1 44 44 LYS HG2 H 1 1.7060 0.0000 . 2 . . . . A 44 LYS HG2 . 30820 1 551 . 1 . 1 44 44 LYS HG3 H 1 1.7060 0.0000 . 2 . . . . A 44 LYS HG3 . 30820 1 552 . 1 . 1 44 44 LYS HD2 H 1 1.8110 0.0000 . 2 . . . . A 44 LYS HD2 . 30820 1 553 . 1 . 1 44 44 LYS HD3 H 1 1.8100 0.0000 . 2 . . . . A 44 LYS HD3 . 30820 1 554 . 1 . 1 44 44 LYS HE2 H 1 3.0340 0.0000 . 2 . . . . A 44 LYS HE2 . 30820 1 555 . 1 . 1 44 44 LYS HE3 H 1 3.1050 0.0000 . 2 . . . . A 44 LYS HE3 . 30820 1 556 . 1 . 1 44 44 LYS C C 13 176.4110 0.0000 . 1 . . . . A 44 LYS C . 30820 1 557 . 1 . 1 44 44 LYS CA C 13 53.6500 0.0000 . 1 . . . . A 44 LYS CA . 30820 1 558 . 1 . 1 44 44 LYS CB C 13 32.1560 0.0000 . 1 . . . . A 44 LYS CB . 30820 1 559 . 1 . 1 44 44 LYS CG C 13 24.9710 0.0000 . 1 . . . . A 44 LYS CG . 30820 1 560 . 1 . 1 44 44 LYS CD C 13 27.9140 0.0000 . 1 . . . . A 44 LYS CD . 30820 1 561 . 1 . 1 44 44 LYS CE C 13 42.0790 0.0000 . 1 . . . . A 44 LYS CE . 30820 1 562 . 1 . 1 44 44 LYS N N 15 115.2060 0.0000 . 1 . . . . A 44 LYS N . 30820 1 563 . 1 . 1 45 45 GLY H H 1 7.7220 0.0000 . 1 . . . . A 45 GLY H . 30820 1 564 . 1 . 1 45 45 GLY HA2 H 1 3.7860 0.0000 . 2 . . . . A 45 GLY HA2 . 30820 1 565 . 1 . 1 45 45 GLY HA3 H 1 4.0110 0.0000 . 2 . . . . A 45 GLY HA3 . 30820 1 566 . 1 . 1 45 45 GLY C C 13 176.4530 0.0000 . 1 . . . . A 45 GLY C . 30820 1 567 . 1 . 1 45 45 GLY CA C 13 45.7850 0.0000 . 1 . . . . A 45 GLY CA . 30820 1 568 . 1 . 1 45 45 GLY N N 15 106.6180 0.0000 . 1 . . . . A 45 GLY N . 30820 1 569 . 1 . 1 46 46 HIS H H 1 8.0630 0.0000 . 1 . . . . A 46 HIS H . 30820 1 570 . 1 . 1 46 46 HIS HA H 1 4.6910 0.0000 . 1 . . . . A 46 HIS HA . 30820 1 571 . 1 . 1 46 46 HIS HB2 H 1 2.9400 0.0000 . 2 . . . . A 46 HIS HB2 . 30820 1 572 . 1 . 1 46 46 HIS HB3 H 1 2.3670 0.0000 . 2 . . . . A 46 HIS HB3 . 30820 1 573 . 1 . 1 46 46 HIS HD2 H 1 6.0820 0.0000 . 1 . . . . A 46 HIS HD2 . 30820 1 574 . 1 . 1 46 46 HIS C C 13 173.9240 0.0000 . 1 . . . . A 46 HIS C . 30820 1 575 . 1 . 1 46 46 HIS CA C 13 53.6740 0.0000 . 1 . . . . A 46 HIS CA . 30820 1 576 . 1 . 1 46 46 HIS CB C 13 29.8870 0.0000 . 1 . . . . A 46 HIS CB . 30820 1 577 . 1 . 1 46 46 HIS CD2 C 13 120.7600 0.0000 . 1 . . . . A 46 HIS CD2 . 30820 1 578 . 1 . 1 46 46 HIS N N 15 120.9010 0.0000 . 1 . . . . A 46 HIS N . 30820 1 579 . 1 . 1 47 47 GLY H H 1 8.3480 0.0000 . 1 . . . . A 47 GLY H . 30820 1 580 . 1 . 1 47 47 GLY HA2 H 1 3.8630 0.0000 . 2 . . . . A 47 GLY HA2 . 30820 1 581 . 1 . 1 47 47 GLY HA3 H 1 3.5800 0.0000 . 2 . . . . A 47 GLY HA3 . 30820 1 582 . 1 . 1 47 47 GLY C C 13 173.6770 0.0000 . 1 . . . . A 47 GLY C . 30820 1 583 . 1 . 1 47 47 GLY CA C 13 46.6310 0.0000 . 1 . . . . A 47 GLY CA . 30820 1 584 . 1 . 1 47 47 GLY N N 15 106.6110 0.0000 . 1 . . . . A 47 GLY N . 30820 1 585 . 1 . 1 48 48 ILE H H 1 8.1500 0.0000 . 1 . . . . A 48 ILE H . 30820 1 586 . 1 . 1 48 48 ILE HA H 1 4.7520 0.0000 . 1 . . . . A 48 ILE HA . 30820 1 587 . 1 . 1 48 48 ILE HB H 1 2.0350 0.0000 . 1 . . . . A 48 ILE HB . 30820 1 588 . 1 . 1 48 48 ILE HG12 H 1 1.5050 0.0000 . 2 . . . . A 48 ILE HG12 . 30820 1 589 . 1 . 1 48 48 ILE HG13 H 1 1.1390 0.0000 . 2 . . . . A 48 ILE HG13 . 30820 1 590 . 1 . 1 48 48 ILE HG21 H 1 0.9450 0.0000 . 1 . . . . A 48 ILE HG21 . 30820 1 591 . 1 . 1 48 48 ILE HG22 H 1 0.9450 0.0000 . 1 . . . . A 48 ILE HG22 . 30820 1 592 . 1 . 1 48 48 ILE HG23 H 1 0.9450 0.0000 . 1 . . . . A 48 ILE HG23 . 30820 1 593 . 1 . 1 48 48 ILE HD11 H 1 0.7070 0.0000 . 1 . . . . A 48 ILE HD11 . 30820 1 594 . 1 . 1 48 48 ILE HD12 H 1 0.7070 0.0000 . 1 . . . . A 48 ILE HD12 . 30820 1 595 . 1 . 1 48 48 ILE HD13 H 1 0.7070 0.0000 . 1 . . . . A 48 ILE HD13 . 30820 1 596 . 1 . 1 48 48 ILE CA C 13 59.5570 0.0000 . 1 . . . . A 48 ILE CA . 30820 1 597 . 1 . 1 48 48 ILE CB C 13 42.5550 0.0000 . 1 . . . . A 48 ILE CB . 30820 1 598 . 1 . 1 48 48 ILE CG1 C 13 25.2290 0.0000 . 1 . . . . A 48 ILE CG1 . 30820 1 599 . 1 . 1 48 48 ILE CG2 C 13 18.4910 0.0000 . 1 . . . . A 48 ILE CG2 . 30820 1 600 . 1 . 1 48 48 ILE CD1 C 13 14.8790 0.0000 . 1 . . . . A 48 ILE CD1 . 30820 1 601 . 1 . 1 48 48 ILE N N 15 119.7290 0.0000 . 1 . . . . A 48 ILE N . 30820 1 602 . 1 . 1 49 49 SER H H 1 9.0620 0.0000 . 1 . . . . A 49 SER H . 30820 1 603 . 1 . 1 49 49 SER HA H 1 4.7190 0.0000 . 1 . . . . A 49 SER HA . 30820 1 604 . 1 . 1 49 49 SER HB2 H 1 4.4450 0.0000 . 2 . . . . A 49 SER HB2 . 30820 1 605 . 1 . 1 49 49 SER HB3 H 1 4.0100 0.0000 . 2 . . . . A 49 SER HB3 . 30820 1 606 . 1 . 1 49 49 SER C C 13 175.2540 0.0000 . 1 . . . . A 49 SER C . 30820 1 607 . 1 . 1 49 49 SER CA C 13 56.1380 0.0000 . 1 . . . . A 49 SER CA . 30820 1 608 . 1 . 1 49 49 SER CB C 13 66.2170 0.0000 . 1 . . . . A 49 SER CB . 30820 1 609 . 1 . 1 49 49 SER N N 15 118.1980 0.0000 . 1 . . . . A 49 SER N . 30820 1 610 . 1 . 1 50 50 MET H H 1 9.1090 0.0000 . 1 . . . . A 50 MET H . 30820 1 611 . 1 . 1 50 50 MET HA H 1 4.2960 0.0000 . 1 . . . . A 50 MET HA . 30820 1 612 . 1 . 1 50 50 MET HB2 H 1 2.1500 0.0000 . 2 . . . . A 50 MET HB2 . 30820 1 613 . 1 . 1 50 50 MET HB3 H 1 1.9910 0.0000 . 2 . . . . A 50 MET HB3 . 30820 1 614 . 1 . 1 50 50 MET HG2 H 1 2.7560 0.0000 . 2 . . . . A 50 MET HG2 . 30820 1 615 . 1 . 1 50 50 MET HG3 H 1 2.3480 0.0000 . 2 . . . . A 50 MET HG3 . 30820 1 616 . 1 . 1 50 50 MET HE1 H 1 2.0200 0.0000 . 1 . . . . A 50 MET HE1 . 30820 1 617 . 1 . 1 50 50 MET HE2 H 1 2.0200 0.0000 . 1 . . . . A 50 MET HE2 . 30820 1 618 . 1 . 1 50 50 MET HE3 H 1 2.0200 0.0000 . 1 . . . . A 50 MET HE3 . 30820 1 619 . 1 . 1 50 50 MET C C 13 177.6180 0.0000 . 1 . . . . A 50 MET C . 30820 1 620 . 1 . 1 50 50 MET CA C 13 57.6760 0.0000 . 1 . . . . A 50 MET CA . 30820 1 621 . 1 . 1 50 50 MET CB C 13 31.5350 0.0000 . 1 . . . . A 50 MET CB . 30820 1 622 . 1 . 1 50 50 MET CG C 13 32.7310 0.0000 . 1 . . . . A 50 MET CG . 30820 1 623 . 1 . 1 50 50 MET CE C 13 18.3360 0.0000 . 1 . . . . A 50 MET CE . 30820 1 624 . 1 . 1 50 50 MET N N 15 120.7130 0.0000 . 1 . . . . A 50 MET N . 30820 1 625 . 1 . 1 51 51 GLU H H 1 8.5870 0.0000 . 1 . . . . A 51 GLU H . 30820 1 626 . 1 . 1 51 51 GLU HA H 1 4.2610 0.0000 . 1 . . . . A 51 GLU HA . 30820 1 627 . 1 . 1 51 51 GLU HB2 H 1 2.0290 0.0000 . 2 . . . . A 51 GLU HB2 . 30820 1 628 . 1 . 1 51 51 GLU HB3 H 1 1.9470 0.0000 . 2 . . . . A 51 GLU HB3 . 30820 1 629 . 1 . 1 51 51 GLU HG2 H 1 2.2440 0.0000 . 2 . . . . A 51 GLU HG2 . 30820 1 630 . 1 . 1 51 51 GLU HG3 H 1 2.3570 0.0000 . 2 . . . . A 51 GLU HG3 . 30820 1 631 . 1 . 1 51 51 GLU C C 13 179.8510 0.0000 . 1 . . . . A 51 GLU C . 30820 1 632 . 1 . 1 51 51 GLU CA C 13 60.3970 0.0000 . 1 . . . . A 51 GLU CA . 30820 1 633 . 1 . 1 51 51 GLU CB C 13 28.8140 0.0000 . 1 . . . . A 51 GLU CB . 30820 1 634 . 1 . 1 51 51 GLU CG C 13 36.8980 0.0000 . 1 . . . . A 51 GLU CG . 30820 1 635 . 1 . 1 51 51 GLU N N 15 118.1150 0.0000 . 1 . . . . A 51 GLU N . 30820 1 636 . 1 . 1 52 52 GLU H H 1 8.0030 0.0000 . 1 . . . . A 52 GLU H . 30820 1 637 . 1 . 1 52 52 GLU HA H 1 4.0700 0.0000 . 1 . . . . A 52 GLU HA . 30820 1 638 . 1 . 1 52 52 GLU HB2 H 1 1.9120 0.0000 . 2 . . . . A 52 GLU HB2 . 30820 1 639 . 1 . 1 52 52 GLU HG2 H 1 2.3750 0.0000 . 2 . . . . A 52 GLU HG2 . 30820 1 640 . 1 . 1 52 52 GLU HG3 H 1 2.2930 0.0000 . 2 . . . . A 52 GLU HG3 . 30820 1 641 . 1 . 1 52 52 GLU C C 13 178.6160 0.0000 . 1 . . . . A 52 GLU C . 30820 1 642 . 1 . 1 52 52 GLU CA C 13 59.3060 0.0000 . 1 . . . . A 52 GLU CA . 30820 1 643 . 1 . 1 52 52 GLU CB C 13 29.8880 0.0000 . 1 . . . . A 52 GLU CB . 30820 1 644 . 1 . 1 52 52 GLU CG C 13 37.6010 0.0000 . 1 . . . . A 52 GLU CG . 30820 1 645 . 1 . 1 52 52 GLU N N 15 121.2310 0.0000 . 1 . . . . A 52 GLU N . 30820 1 646 . 1 . 1 53 53 LEU H H 1 8.5730 0.0000 . 1 . . . . A 53 LEU H . 30820 1 647 . 1 . 1 53 53 LEU HA H 1 3.9630 0.0000 . 1 . . . . A 53 LEU HA . 30820 1 648 . 1 . 1 53 53 LEU HB2 H 1 2.4410 0.0000 . 2 . . . . A 53 LEU HB2 . 30820 1 649 . 1 . 1 53 53 LEU HG H 1 1.6620 0.0000 . 1 . . . . A 53 LEU HG . 30820 1 650 . 1 . 1 53 53 LEU HD11 H 1 1.1040 0.0000 . 2 . . . . A 53 LEU HD11 . 30820 1 651 . 1 . 1 53 53 LEU HD12 H 1 1.1040 0.0000 . 2 . . . . A 53 LEU HD12 . 30820 1 652 . 1 . 1 53 53 LEU HD13 H 1 1.1040 0.0000 . 2 . . . . A 53 LEU HD13 . 30820 1 653 . 1 . 1 53 53 LEU HD21 H 1 0.6330 0.0000 . 2 . . . . A 53 LEU HD21 . 30820 1 654 . 1 . 1 53 53 LEU HD22 H 1 0.6330 0.0000 . 2 . . . . A 53 LEU HD22 . 30820 1 655 . 1 . 1 53 53 LEU HD23 H 1 0.6330 0.0000 . 2 . . . . A 53 LEU HD23 . 30820 1 656 . 1 . 1 53 53 LEU C C 13 178.3920 0.0000 . 1 . . . . A 53 LEU C . 30820 1 657 . 1 . 1 53 53 LEU CA C 13 58.2010 0.0000 . 1 . . . . A 53 LEU CA . 30820 1 658 . 1 . 1 53 53 LEU CB C 13 40.9790 0.0000 . 1 . . . . A 53 LEU CB . 30820 1 659 . 1 . 1 53 53 LEU CG C 13 27.1490 0.0000 . 1 . . . . A 53 LEU CG . 30820 1 660 . 1 . 1 53 53 LEU CD1 C 13 27.2440 0.0000 . 2 . . . . A 53 LEU CD1 . 30820 1 661 . 1 . 1 53 53 LEU CD2 C 13 23.0940 0.0000 . 2 . . . . A 53 LEU CD2 . 30820 1 662 . 1 . 1 53 53 LEU N N 15 121.2680 0.0000 . 1 . . . . A 53 LEU N . 30820 1 663 . 1 . 1 54 54 LYS H H 1 8.8430 0.0000 . 1 . . . . A 54 LYS H . 30820 1 664 . 1 . 1 54 54 LYS HA H 1 4.1610 0.0000 . 1 . . . . A 54 LYS HA . 30820 1 665 . 1 . 1 54 54 LYS HB2 H 1 1.9900 0.0000 . 2 . . . . A 54 LYS HB2 . 30820 1 666 . 1 . 1 54 54 LYS HG2 H 1 1.6200 0.0000 . 2 . . . . A 54 LYS HG2 . 30820 1 667 . 1 . 1 54 54 LYS HD2 H 1 1.3230 0.0000 . 2 . . . . A 54 LYS HD2 . 30820 1 668 . 1 . 1 54 54 LYS HD3 H 1 1.3240 0.0000 . 2 . . . . A 54 LYS HD3 . 30820 1 669 . 1 . 1 54 54 LYS HE2 H 1 2.3550 0.0000 . 2 . . . . A 54 LYS HE2 . 30820 1 670 . 1 . 1 54 54 LYS C C 13 178.3870 0.0000 . 1 . . . . A 54 LYS C . 30820 1 671 . 1 . 1 54 54 LYS CA C 13 60.8220 0.0000 . 1 . . . . A 54 LYS CA . 30820 1 672 . 1 . 1 54 54 LYS CB C 13 32.3280 0.0000 . 1 . . . . A 54 LYS CB . 30820 1 673 . 1 . 1 54 54 LYS CG C 13 25.9090 0.0000 . 1 . . . . A 54 LYS CG . 30820 1 674 . 1 . 1 54 54 LYS CD C 13 29.6290 0.0000 . 1 . . . . A 54 LYS CD . 30820 1 675 . 1 . 1 54 54 LYS CE C 13 41.0190 0.0000 . 1 . . . . A 54 LYS CE . 30820 1 676 . 1 . 1 54 54 LYS N N 15 117.4560 0.0000 . 1 . . . . A 54 LYS N . 30820 1 677 . 1 . 1 55 55 HIS H H 1 7.9680 0.0000 . 1 . . . . A 55 HIS H . 30820 1 678 . 1 . 1 55 55 HIS HA H 1 4.4780 0.0000 . 1 . . . . A 55 HIS HA . 30820 1 679 . 1 . 1 55 55 HIS HB2 H 1 3.4360 0.0000 . 2 . . . . A 55 HIS HB2 . 30820 1 680 . 1 . 1 55 55 HIS HB3 H 1 3.2380 0.0000 . 2 . . . . A 55 HIS HB3 . 30820 1 681 . 1 . 1 55 55 HIS HD2 H 1 6.9980 0.0000 . 1 . . . . A 55 HIS HD2 . 30820 1 682 . 1 . 1 55 55 HIS C C 13 178.6580 0.0000 . 1 . . . . A 55 HIS C . 30820 1 683 . 1 . 1 55 55 HIS CA C 13 59.9120 0.0000 . 1 . . . . A 55 HIS CA . 30820 1 684 . 1 . 1 55 55 HIS CB C 13 29.4440 0.0000 . 1 . . . . A 55 HIS CB . 30820 1 685 . 1 . 1 55 55 HIS CD2 C 13 120.5370 0.0000 . 1 . . . . A 55 HIS CD2 . 30820 1 686 . 1 . 1 55 55 HIS N N 15 118.5590 0.0000 . 1 . . . . A 55 HIS N . 30820 1 687 . 1 . 1 56 56 ILE H H 1 8.5510 0.0000 . 1 . . . . A 56 ILE H . 30820 1 688 . 1 . 1 56 56 ILE HA H 1 3.5120 0.0000 . 1 . . . . A 56 ILE HA . 30820 1 689 . 1 . 1 56 56 ILE HB H 1 2.0150 0.0000 . 1 . . . . A 56 ILE HB . 30820 1 690 . 1 . 1 56 56 ILE HG12 H 1 1.1070 0.0000 . 2 . . . . A 56 ILE HG12 . 30820 1 691 . 1 . 1 56 56 ILE HG21 H 1 0.7490 0.0000 . 1 . . . . A 56 ILE HG21 . 30820 1 692 . 1 . 1 56 56 ILE HG22 H 1 0.7490 0.0000 . 1 . . . . A 56 ILE HG22 . 30820 1 693 . 1 . 1 56 56 ILE HG23 H 1 0.7490 0.0000 . 1 . . . . A 56 ILE HG23 . 30820 1 694 . 1 . 1 56 56 ILE HD11 H 1 0.7820 0.0000 . 1 . . . . A 56 ILE HD11 . 30820 1 695 . 1 . 1 56 56 ILE HD12 H 1 0.7820 0.0000 . 1 . . . . A 56 ILE HD12 . 30820 1 696 . 1 . 1 56 56 ILE HD13 H 1 0.7820 0.0000 . 1 . . . . A 56 ILE HD13 . 30820 1 697 . 1 . 1 56 56 ILE C C 13 178.1420 0.0000 . 1 . . . . A 56 ILE C . 30820 1 698 . 1 . 1 56 56 ILE CA C 13 65.4120 0.0000 . 1 . . . . A 56 ILE CA . 30820 1 699 . 1 . 1 56 56 ILE CB C 13 38.1000 0.0000 . 1 . . . . A 56 ILE CB . 30820 1 700 . 1 . 1 56 56 ILE CG1 C 13 29.7500 0.0000 . 1 . . . . A 56 ILE CG1 . 30820 1 701 . 1 . 1 56 56 ILE CG2 C 13 16.7050 0.0000 . 1 . . . . A 56 ILE CG2 . 30820 1 702 . 1 . 1 56 56 ILE CD1 C 13 14.3150 0.0000 . 1 . . . . A 56 ILE CD1 . 30820 1 703 . 1 . 1 56 56 ILE N N 15 122.6330 0.0000 . 1 . . . . A 56 ILE N . 30820 1 704 . 1 . 1 57 57 VAL H H 1 8.2300 0.0000 . 1 . . . . A 57 VAL H . 30820 1 705 . 1 . 1 57 57 VAL HA H 1 3.6230 0.0000 . 1 . . . . A 57 VAL HA . 30820 1 706 . 1 . 1 57 57 VAL HB H 1 2.2170 0.0000 . 1 . . . . A 57 VAL HB . 30820 1 707 . 1 . 1 57 57 VAL HG11 H 1 0.8280 0.0000 . 2 . . . . A 57 VAL HG11 . 30820 1 708 . 1 . 1 57 57 VAL HG12 H 1 0.8280 0.0000 . 2 . . . . A 57 VAL HG12 . 30820 1 709 . 1 . 1 57 57 VAL HG13 H 1 0.8280 0.0000 . 2 . . . . A 57 VAL HG13 . 30820 1 710 . 1 . 1 57 57 VAL HG21 H 1 0.5160 0.0000 . 2 . . . . A 57 VAL HG21 . 30820 1 711 . 1 . 1 57 57 VAL HG22 H 1 0.5160 0.0000 . 2 . . . . A 57 VAL HG22 . 30820 1 712 . 1 . 1 57 57 VAL HG23 H 1 0.5160 0.0000 . 2 . . . . A 57 VAL HG23 . 30820 1 713 . 1 . 1 57 57 VAL CA C 13 66.7500 0.0000 . 1 . . . . A 57 VAL CA . 30820 1 714 . 1 . 1 57 57 VAL CB C 13 32.0060 0.0000 . 1 . . . . A 57 VAL CB . 30820 1 715 . 1 . 1 57 57 VAL CG1 C 13 20.8210 0.0000 . 2 . . . . A 57 VAL CG1 . 30820 1 716 . 1 . 1 57 57 VAL CG2 C 13 22.5220 0.0000 . 2 . . . . A 57 VAL CG2 . 30820 1 717 . 1 . 1 57 57 VAL N N 15 119.4440 0.0000 . 1 . . . . A 57 VAL N . 30820 1 718 . 1 . 1 58 58 GLU H H 1 8.7560 0.0000 . 1 . . . . A 58 GLU H . 30820 1 719 . 1 . 1 58 58 GLU HA H 1 4.2600 0.0000 . 1 . . . . A 58 GLU HA . 30820 1 720 . 1 . 1 58 58 GLU HB2 H 1 2.2280 0.0000 . 2 . . . . A 58 GLU HB2 . 30820 1 721 . 1 . 1 58 58 GLU HB3 H 1 2.2280 0.0000 . 2 . . . . A 58 GLU HB3 . 30820 1 722 . 1 . 1 58 58 GLU HG2 H 1 2.5450 0.0000 . 2 . . . . A 58 GLU HG2 . 30820 1 723 . 1 . 1 58 58 GLU HG3 H 1 2.4520 0.0000 . 2 . . . . A 58 GLU HG3 . 30820 1 724 . 1 . 1 58 58 GLU C C 13 178.3400 0.0000 . 1 . . . . A 58 GLU C . 30820 1 725 . 1 . 1 58 58 GLU CA C 13 58.9860 0.0000 . 1 . . . . A 58 GLU CA . 30820 1 726 . 1 . 1 58 58 GLU CB C 13 30.1350 0.0000 . 1 . . . . A 58 GLU CB . 30820 1 727 . 1 . 1 58 58 GLU CG C 13 36.5630 0.0000 . 1 . . . . A 58 GLU CG . 30820 1 728 . 1 . 1 58 58 GLU N N 15 117.8000 0.0000 . 1 . . . . A 58 GLU N . 30820 1 729 . 1 . 1 59 59 THR H H 1 7.7320 0.0000 . 1 . . . . A 59 THR H . 30820 1 730 . 1 . 1 59 59 THR HA H 1 4.3900 0.0000 . 1 . . . . A 59 THR HA . 30820 1 731 . 1 . 1 59 59 THR HB H 1 4.2300 0.0000 . 1 . . . . A 59 THR HB . 30820 1 732 . 1 . 1 59 59 THR HG21 H 1 1.0620 0.0000 . 1 . . . . A 59 THR HG21 . 30820 1 733 . 1 . 1 59 59 THR HG22 H 1 1.0620 0.0000 . 1 . . . . A 59 THR HG22 . 30820 1 734 . 1 . 1 59 59 THR HG23 H 1 1.0620 0.0000 . 1 . . . . A 59 THR HG23 . 30820 1 735 . 1 . 1 59 59 THR C C 13 175.0600 0.0000 . 1 . . . . A 59 THR C . 30820 1 736 . 1 . 1 59 59 THR CA C 13 62.3010 0.0000 . 1 . . . . A 59 THR CA . 30820 1 737 . 1 . 1 59 59 THR CB C 13 70.0510 0.0000 . 1 . . . . A 59 THR CB . 30820 1 738 . 1 . 1 59 59 THR CG2 C 13 21.2710 0.0000 . 1 . . . . A 59 THR CG2 . 30820 1 739 . 1 . 1 59 59 THR N N 15 107.0270 0.0000 . 1 . . . . A 59 THR N . 30820 1 740 . 1 . 1 60 60 ASN H H 1 7.4880 0.0000 . 1 . . . . A 60 ASN H . 30820 1 741 . 1 . 1 60 60 ASN HA H 1 4.7230 0.0000 . 1 . . . . A 60 ASN HA . 30820 1 742 . 1 . 1 60 60 ASN HB2 H 1 2.9490 0.0000 . 2 . . . . A 60 ASN HB2 . 30820 1 743 . 1 . 1 60 60 ASN HB3 H 1 3.1320 0.0000 . 2 . . . . A 60 ASN HB3 . 30820 1 744 . 1 . 1 60 60 ASN C C 13 177.2540 0.0000 . 1 . . . . A 60 ASN C . 30820 1 745 . 1 . 1 60 60 ASN CA C 13 55.4110 0.0000 . 1 . . . . A 60 ASN CA . 30820 1 746 . 1 . 1 60 60 ASN CB C 13 40.1780 0.0000 . 1 . . . . A 60 ASN CB . 30820 1 747 . 1 . 1 60 60 ASN N N 15 121.6320 0.0000 . 1 . . . . A 60 ASN N . 30820 1 748 . 1 . 1 61 61 SER HA H 1 4.2850 0.0000 . 1 . . . . A 61 SER HA . 30820 1 749 . 1 . 1 61 61 SER HB2 H 1 4.0040 0.0000 . 2 . . . . A 61 SER HB2 . 30820 1 750 . 1 . 1 61 61 SER C C 13 175.1350 0.0000 . 1 . . . . A 61 SER C . 30820 1 751 . 1 . 1 61 61 SER CA C 13 60.6360 0.0000 . 1 . . . . A 61 SER CA . 30820 1 752 . 1 . 1 61 61 SER CB C 13 63.1990 0.0000 . 1 . . . . A 61 SER CB . 30820 1 753 . 1 . 1 62 62 LYS H H 1 7.7730 0.0000 . 1 . . . . A 62 LYS H . 30820 1 754 . 1 . 1 62 62 LYS HA H 1 4.3770 0.0000 . 1 . . . . A 62 LYS HA . 30820 1 755 . 1 . 1 62 62 LYS HB2 H 1 1.8830 0.0000 . 2 . . . . A 62 LYS HB2 . 30820 1 756 . 1 . 1 62 62 LYS HB3 H 1 1.8830 0.0000 . 2 . . . . A 62 LYS HB3 . 30820 1 757 . 1 . 1 62 62 LYS HG2 H 1 1.3480 0.0000 . 2 . . . . A 62 LYS HG2 . 30820 1 758 . 1 . 1 62 62 LYS HG3 H 1 1.3480 0.0000 . 2 . . . . A 62 LYS HG3 . 30820 1 759 . 1 . 1 62 62 LYS HD2 H 1 1.6060 0.0000 . 2 . . . . A 62 LYS HD2 . 30820 1 760 . 1 . 1 62 62 LYS C C 13 175.4970 0.0000 . 1 . . . . A 62 LYS C . 30820 1 761 . 1 . 1 62 62 LYS CA C 13 55.6640 0.0000 . 1 . . . . A 62 LYS CA . 30820 1 762 . 1 . 1 62 62 LYS N N 15 119.6190 0.0000 . 1 . . . . A 62 LYS N . 30820 1 763 . 1 . 1 63 63 LYS H H 1 8.1360 0.0000 . 1 . . . . A 63 LYS H . 30820 1 764 . 1 . 1 63 63 LYS HA H 1 4.2640 0.0000 . 1 . . . . A 63 LYS HA . 30820 1 765 . 1 . 1 63 63 LYS HB2 H 1 1.8140 0.0000 . 2 . . . . A 63 LYS HB2 . 30820 1 766 . 1 . 1 63 63 LYS HB3 H 1 1.8140 0.0000 . 2 . . . . A 63 LYS HB3 . 30820 1 767 . 1 . 1 63 63 LYS HG2 H 1 1.4300 0.0000 . 2 . . . . A 63 LYS HG2 . 30820 1 768 . 1 . 1 63 63 LYS HG3 H 1 1.4300 0.0000 . 2 . . . . A 63 LYS HG3 . 30820 1 769 . 1 . 1 63 63 LYS HD2 H 1 1.6800 0.0000 . 2 . . . . A 63 LYS HD2 . 30820 1 770 . 1 . 1 63 63 LYS HE2 H 1 3.0350 0.0000 . 2 . . . . A 63 LYS HE2 . 30820 1 771 . 1 . 1 63 63 LYS C C 13 176.9670 0.0000 . 1 . . . . A 63 LYS C . 30820 1 772 . 1 . 1 63 63 LYS CA C 13 56.4030 0.0000 . 1 . . . . A 63 LYS CA . 30820 1 773 . 1 . 1 63 63 LYS CB C 13 29.7820 0.0000 . 1 . . . . A 63 LYS CB . 30820 1 774 . 1 . 1 63 63 LYS CG C 13 24.7840 0.0000 . 1 . . . . A 63 LYS CG . 30820 1 775 . 1 . 1 63 63 LYS CD C 13 29.1980 0.0000 . 1 . . . . A 63 LYS CD . 30820 1 776 . 1 . 1 63 63 LYS CE C 13 42.0290 0.0000 . 1 . . . . A 63 LYS CE . 30820 1 777 . 1 . 1 63 63 LYS N N 15 118.1610 0.0000 . 1 . . . . A 63 LYS N . 30820 1 778 . 1 . 1 64 64 ARG H H 1 7.7590 0.0000 . 1 . . . . A 64 ARG H . 30820 1 779 . 1 . 1 64 64 ARG HA H 1 3.7360 0.0000 . 1 . . . . A 64 ARG HA . 30820 1 780 . 1 . 1 64 64 ARG HD2 H 1 2.8540 0.0000 . 2 . . . . A 64 ARG HD2 . 30820 1 781 . 1 . 1 64 64 ARG C C 13 176.0490 0.0000 . 1 . . . . A 64 ARG C . 30820 1 782 . 1 . 1 64 64 ARG CA C 13 57.4340 0.0000 . 1 . . . . A 64 ARG CA . 30820 1 783 . 1 . 1 64 64 ARG CB C 13 30.6750 0.0000 . 1 . . . . A 64 ARG CB . 30820 1 784 . 1 . 1 64 64 ARG CG C 13 27.3700 0.0000 . 1 . . . . A 64 ARG CG . 30820 1 785 . 1 . 1 64 64 ARG CD C 13 42.7190 0.0000 . 1 . . . . A 64 ARG CD . 30820 1 786 . 1 . 1 64 64 ARG N N 15 116.8240 0.0000 . 1 . . . . A 64 ARG N . 30820 1 787 . 1 . 1 65 65 PHE H H 1 7.8470 0.0000 . 1 . . . . A 65 PHE H . 30820 1 788 . 1 . 1 65 65 PHE HA H 1 5.3790 0.0000 . 1 . . . . A 65 PHE HA . 30820 1 789 . 1 . 1 65 65 PHE HB2 H 1 2.7730 0.0000 . 2 . . . . A 65 PHE HB2 . 30820 1 790 . 1 . 1 65 65 PHE HB3 H 1 2.6110 0.0000 . 2 . . . . A 65 PHE HB3 . 30820 1 791 . 1 . 1 65 65 PHE HD1 H 1 6.8680 0.0000 . 3 . . . . A 65 PHE HD1 . 30820 1 792 . 1 . 1 65 65 PHE HE1 H 1 6.9620 0.0000 . 3 . . . . A 65 PHE HE1 . 30820 1 793 . 1 . 1 65 65 PHE HZ H 1 7.0430 0.0000 . 1 . . . . A 65 PHE HZ . 30820 1 794 . 1 . 1 65 65 PHE C C 13 173.9970 0.0000 . 1 . . . . A 65 PHE C . 30820 1 795 . 1 . 1 65 65 PHE CA C 13 54.6920 0.0000 . 1 . . . . A 65 PHE CA . 30820 1 796 . 1 . 1 65 65 PHE CB C 13 43.8720 0.0000 . 1 . . . . A 65 PHE CB . 30820 1 797 . 1 . 1 65 65 PHE CD1 C 13 131.8400 0.0000 . 3 . . . . A 65 PHE CD1 . 30820 1 798 . 1 . 1 65 65 PHE CE1 C 13 131.3810 0.0000 . 3 . . . . A 65 PHE CE1 . 30820 1 799 . 1 . 1 65 65 PHE CZ C 13 131.0810 0.0000 . 1 . . . . A 65 PHE CZ . 30820 1 800 . 1 . 1 65 65 PHE N N 15 115.1240 0.0000 . 1 . . . . A 65 PHE N . 30820 1 801 . 1 . 1 66 66 ALA H H 1 8.7330 0.0000 . 1 . . . . A 66 ALA H . 30820 1 802 . 1 . 1 66 66 ALA HA H 1 4.6330 0.0000 . 1 . . . . A 66 ALA HA . 30820 1 803 . 1 . 1 66 66 ALA HB1 H 1 1.3440 0.0000 . 1 . . . . A 66 ALA HB1 . 30820 1 804 . 1 . 1 66 66 ALA HB2 H 1 1.3440 0.0000 . 1 . . . . A 66 ALA HB2 . 30820 1 805 . 1 . 1 66 66 ALA HB3 H 1 1.3440 0.0000 . 1 . . . . A 66 ALA HB3 . 30820 1 806 . 1 . 1 66 66 ALA C C 13 175.6210 0.0000 . 1 . . . . A 66 ALA C . 30820 1 807 . 1 . 1 66 66 ALA CA C 13 51.6180 0.0000 . 1 . . . . A 66 ALA CA . 30820 1 808 . 1 . 1 66 66 ALA CB C 13 23.0300 0.0000 . 1 . . . . A 66 ALA CB . 30820 1 809 . 1 . 1 66 66 ALA N N 15 122.0310 0.0000 . 1 . . . . A 66 ALA N . 30820 1 810 . 1 . 1 67 67 PHE H H 1 8.8280 0.0000 . 1 . . . . A 67 PHE H . 30820 1 811 . 1 . 1 67 67 PHE HA H 1 5.9450 0.0000 . 1 . . . . A 67 PHE HA . 30820 1 812 . 1 . 1 67 67 PHE HB2 H 1 3.3500 0.0000 . 2 . . . . A 67 PHE HB2 . 30820 1 813 . 1 . 1 67 67 PHE HB3 H 1 2.7620 0.0000 . 2 . . . . A 67 PHE HB3 . 30820 1 814 . 1 . 1 67 67 PHE HD1 H 1 7.5980 0.0000 . 3 . . . . A 67 PHE HD1 . 30820 1 815 . 1 . 1 67 67 PHE HE1 H 1 7.4170 0.0000 . 3 . . . . A 67 PHE HE1 . 30820 1 816 . 1 . 1 67 67 PHE HZ H 1 6.9490 0.0000 . 1 . . . . A 67 PHE HZ . 30820 1 817 . 1 . 1 67 67 PHE C C 13 177.7510 0.0000 . 1 . . . . A 67 PHE C . 30820 1 818 . 1 . 1 67 67 PHE CA C 13 57.0010 0.0000 . 1 . . . . A 67 PHE CA . 30820 1 819 . 1 . 1 67 67 PHE CB C 13 43.2890 0.0000 . 1 . . . . A 67 PHE CB . 30820 1 820 . 1 . 1 67 67 PHE CD1 C 13 132.7170 0.0000 . 3 . . . . A 67 PHE CD1 . 30820 1 821 . 1 . 1 67 67 PHE CE1 C 13 131.1050 0.0000 . 3 . . . . A 67 PHE CE1 . 30820 1 822 . 1 . 1 67 67 PHE CZ C 13 128.6080 0.0000 . 1 . . . . A 67 PHE CZ . 30820 1 823 . 1 . 1 67 67 PHE N N 15 117.6480 0.0000 . 1 . . . . A 67 PHE N . 30820 1 824 . 1 . 1 68 68 SER H H 1 8.6170 0.0000 . 1 . . . . A 68 SER H . 30820 1 825 . 1 . 1 68 68 SER HA H 1 4.2780 0.0000 . 1 . . . . A 68 SER HA . 30820 1 826 . 1 . 1 68 68 SER HB2 H 1 3.7770 0.0000 . 2 . . . . A 68 SER HB2 . 30820 1 827 . 1 . 1 68 68 SER C C 13 175.2580 0.0000 . 1 . . . . A 68 SER C . 30820 1 828 . 1 . 1 68 68 SER CA C 13 57.5630 0.0000 . 1 . . . . A 68 SER CA . 30820 1 829 . 1 . 1 68 68 SER CB C 13 63.6810 0.0000 . 1 . . . . A 68 SER CB . 30820 1 830 . 1 . 1 68 68 SER N N 15 115.0010 0.0000 . 1 . . . . A 68 SER N . 30820 1 831 . 1 . 1 69 69 GLU H H 1 8.7240 0.0000 . 1 . . . . A 69 GLU H . 30820 1 832 . 1 . 1 69 69 GLU HA H 1 3.7930 0.0000 . 1 . . . . A 69 GLU HA . 30820 1 833 . 1 . 1 69 69 GLU HB2 H 1 1.9390 0.0000 . 2 . . . . A 69 GLU HB2 . 30820 1 834 . 1 . 1 69 69 GLU HB3 H 1 1.9390 0.0000 . 2 . . . . A 69 GLU HB3 . 30820 1 835 . 1 . 1 69 69 GLU HG2 H 1 2.2420 0.0000 . 2 . . . . A 69 GLU HG2 . 30820 1 836 . 1 . 1 69 69 GLU HG3 H 1 2.2420 0.0000 . 2 . . . . A 69 GLU HG3 . 30820 1 837 . 1 . 1 69 69 GLU C C 13 176.7410 0.0000 . 1 . . . . A 69 GLU C . 30820 1 838 . 1 . 1 69 69 GLU CA C 13 58.8090 0.0000 . 1 . . . . A 69 GLU CA . 30820 1 839 . 1 . 1 69 69 GLU CB C 13 28.7070 0.0000 . 1 . . . . A 69 GLU CB . 30820 1 840 . 1 . 1 69 69 GLU CG C 13 36.0230 0.0000 . 1 . . . . A 69 GLU CG . 30820 1 841 . 1 . 1 69 69 GLU N N 15 120.2560 0.0000 . 1 . . . . A 69 GLU N . 30820 1 842 . 1 . 1 70 70 ASN H H 1 8.2140 0.0000 . 1 . . . . A 70 ASN H . 30820 1 843 . 1 . 1 70 70 ASN HA H 1 4.4290 0.0000 . 1 . . . . A 70 ASN HA . 30820 1 844 . 1 . 1 70 70 ASN HB2 H 1 3.0730 0.0000 . 2 . . . . A 70 ASN HB2 . 30820 1 845 . 1 . 1 70 70 ASN HB3 H 1 2.8980 0.0000 . 2 . . . . A 70 ASN HB3 . 30820 1 846 . 1 . 1 70 70 ASN HD21 H 1 7.7280 0.0000 . 2 . . . . A 70 ASN HD21 . 30820 1 847 . 1 . 1 70 70 ASN HD22 H 1 6.9420 0.0000 . 2 . . . . A 70 ASN HD22 . 30820 1 848 . 1 . 1 70 70 ASN C C 13 175.1430 0.0000 . 1 . . . . A 70 ASN C . 30820 1 849 . 1 . 1 70 70 ASN CA C 13 52.7120 0.0000 . 1 . . . . A 70 ASN CA . 30820 1 850 . 1 . 1 70 70 ASN CB C 13 37.4810 0.0000 . 1 . . . . A 70 ASN CB . 30820 1 851 . 1 . 1 70 70 ASN N N 15 114.9830 0.0000 . 1 . . . . A 70 ASN N . 30820 1 852 . 1 . 1 70 70 ASN ND2 N 15 113.2930 0.0000 . 1 . . . . A 70 ASN ND2 . 30820 1 853 . 1 . 1 71 71 PHE H H 1 7.8660 0.0000 . 1 . . . . A 71 PHE H . 30820 1 854 . 1 . 1 71 71 PHE HA H 1 3.5240 0.0000 . 1 . . . . A 71 PHE HA . 30820 1 855 . 1 . 1 71 71 PHE HB2 H 1 3.1310 0.0000 . 2 . . . . A 71 PHE HB2 . 30820 1 856 . 1 . 1 71 71 PHE HB3 H 1 2.7940 0.0000 . 2 . . . . A 71 PHE HB3 . 30820 1 857 . 1 . 1 71 71 PHE HD1 H 1 6.1730 0.0000 . 3 . . . . A 71 PHE HD1 . 30820 1 858 . 1 . 1 71 71 PHE HE1 H 1 7.1970 0.0000 . 3 . . . . A 71 PHE HE1 . 30820 1 859 . 1 . 1 71 71 PHE HZ H 1 7.2750 0.0000 . 1 . . . . A 71 PHE HZ . 30820 1 860 . 1 . 1 71 71 PHE C C 13 174.2130 0.0000 . 1 . . . . A 71 PHE C . 30820 1 861 . 1 . 1 71 71 PHE CA C 13 60.9420 0.0000 . 1 . . . . A 71 PHE CA . 30820 1 862 . 1 . 1 71 71 PHE CB C 13 35.5930 0.0000 . 1 . . . . A 71 PHE CB . 30820 1 863 . 1 . 1 71 71 PHE CD1 C 13 131.3760 0.0000 . 3 . . . . A 71 PHE CD1 . 30820 1 864 . 1 . 1 71 71 PHE CE1 C 13 131.3810 0.0000 . 3 . . . . A 71 PHE CE1 . 30820 1 865 . 1 . 1 71 71 PHE CZ C 13 129.6150 0.0000 . 1 . . . . A 71 PHE CZ . 30820 1 866 . 1 . 1 71 71 PHE N N 15 110.6290 0.0000 . 1 . . . . A 71 PHE N . 30820 1 867 . 1 . 1 72 72 GLU H H 1 7.5710 0.0000 . 1 . . . . A 72 GLU H . 30820 1 868 . 1 . 1 72 72 GLU HA H 1 4.2790 0.0000 . 1 . . . . A 72 GLU HA . 30820 1 869 . 1 . 1 72 72 GLU HB2 H 1 2.0820 0.0000 . 2 . . . . A 72 GLU HB2 . 30820 1 870 . 1 . 1 72 72 GLU HB3 H 1 1.9860 0.0000 . 2 . . . . A 72 GLU HB3 . 30820 1 871 . 1 . 1 72 72 GLU HG2 H 1 2.3730 0.0000 . 2 . . . . A 72 GLU HG2 . 30820 1 872 . 1 . 1 72 72 GLU HG3 H 1 2.2990 0.0000 . 2 . . . . A 72 GLU HG3 . 30820 1 873 . 1 . 1 72 72 GLU C C 13 177.8880 0.0000 . 1 . . . . A 72 GLU C . 30820 1 874 . 1 . 1 72 72 GLU CA C 13 58.1720 0.0000 . 1 . . . . A 72 GLU CA . 30820 1 875 . 1 . 1 72 72 GLU CB C 13 30.5830 0.0000 . 1 . . . . A 72 GLU CB . 30820 1 876 . 1 . 1 72 72 GLU CG C 13 36.4570 0.0000 . 1 . . . . A 72 GLU CG . 30820 1 877 . 1 . 1 72 72 GLU N N 15 115.6670 0.0000 . 1 . . . . A 72 GLU N . 30820 1 878 . 1 . 1 73 73 LYS H H 1 8.2060 0.0000 . 1 . . . . A 73 LYS H . 30820 1 879 . 1 . 1 73 73 LYS HA H 1 5.6550 0.0000 . 1 . . . . A 73 LYS HA . 30820 1 880 . 1 . 1 73 73 LYS HB2 H 1 2.0060 0.0000 . 2 . . . . A 73 LYS HB2 . 30820 1 881 . 1 . 1 73 73 LYS HB3 H 1 1.3470 0.0000 . 2 . . . . A 73 LYS HB3 . 30820 1 882 . 1 . 1 73 73 LYS HG2 H 1 1.1650 0.0000 . 2 . . . . A 73 LYS HG2 . 30820 1 883 . 1 . 1 73 73 LYS HD2 H 1 1.3860 0.0000 . 2 . . . . A 73 LYS HD2 . 30820 1 884 . 1 . 1 73 73 LYS HD3 H 1 1.1970 0.0000 . 2 . . . . A 73 LYS HD3 . 30820 1 885 . 1 . 1 73 73 LYS HE2 H 1 2.7420 0.0000 . 2 . . . . A 73 LYS HE2 . 30820 1 886 . 1 . 1 73 73 LYS HE3 H 1 2.5030 0.0000 . 2 . . . . A 73 LYS HE3 . 30820 1 887 . 1 . 1 73 73 LYS C C 13 173.6990 0.0000 . 1 . . . . A 73 LYS C . 30820 1 888 . 1 . 1 73 73 LYS CA C 13 54.4840 0.0000 . 1 . . . . A 73 LYS CA . 30820 1 889 . 1 . 1 73 73 LYS CB C 13 37.5660 0.0000 . 1 . . . . A 73 LYS CB . 30820 1 890 . 1 . 1 73 73 LYS CG C 13 25.3110 0.0000 . 1 . . . . A 73 LYS CG . 30820 1 891 . 1 . 1 73 73 LYS CD C 13 29.2420 0.0000 . 1 . . . . A 73 LYS CD . 30820 1 892 . 1 . 1 73 73 LYS CE C 13 41.7180 0.0000 . 1 . . . . A 73 LYS CE . 30820 1 893 . 1 . 1 73 73 LYS N N 15 118.4510 0.0000 . 1 . . . . A 73 LYS N . 30820 1 894 . 1 . 1 74 74 ILE H H 1 9.5970 0.0000 . 1 . . . . A 74 ILE H . 30820 1 895 . 1 . 1 74 74 ILE HA H 1 5.8680 0.0000 . 1 . . . . A 74 ILE HA . 30820 1 896 . 1 . 1 74 74 ILE HB H 1 1.6840 0.0000 . 1 . . . . A 74 ILE HB . 30820 1 897 . 1 . 1 74 74 ILE HG12 H 1 1.2800 0.0000 . 2 . . . . A 74 ILE HG12 . 30820 1 898 . 1 . 1 74 74 ILE HG21 H 1 0.9030 0.0000 . 1 . . . . A 74 ILE HG21 . 30820 1 899 . 1 . 1 74 74 ILE HG22 H 1 0.9030 0.0000 . 1 . . . . A 74 ILE HG22 . 30820 1 900 . 1 . 1 74 74 ILE HG23 H 1 0.9030 0.0000 . 1 . . . . A 74 ILE HG23 . 30820 1 901 . 1 . 1 74 74 ILE HD11 H 1 0.2350 0.0000 . 1 . . . . A 74 ILE HD11 . 30820 1 902 . 1 . 1 74 74 ILE HD12 H 1 0.2350 0.0000 . 1 . . . . A 74 ILE HD12 . 30820 1 903 . 1 . 1 74 74 ILE HD13 H 1 0.2350 0.0000 . 1 . . . . A 74 ILE HD13 . 30820 1 904 . 1 . 1 74 74 ILE C C 13 171.6570 0.0000 . 1 . . . . A 74 ILE C . 30820 1 905 . 1 . 1 74 74 ILE CA C 13 58.5090 0.0000 . 1 . . . . A 74 ILE CA . 30820 1 906 . 1 . 1 74 74 ILE CB C 13 41.8780 0.0000 . 1 . . . . A 74 ILE CB . 30820 1 907 . 1 . 1 74 74 ILE CG1 C 13 27.8690 0.0000 . 1 . . . . A 74 ILE CG1 . 30820 1 908 . 1 . 1 74 74 ILE CG2 C 13 15.6300 0.0000 . 1 . . . . A 74 ILE CG2 . 30820 1 909 . 1 . 1 74 74 ILE CD1 C 13 14.4450 0.0000 . 1 . . . . A 74 ILE CD1 . 30820 1 910 . 1 . 1 74 74 ILE N N 15 120.3320 0.0000 . 1 . . . . A 74 ILE N . 30820 1 911 . 1 . 1 75 75 ARG H H 1 8.7620 0.0000 . 1 . . . . A 75 ARG H . 30820 1 912 . 1 . 1 75 75 ARG HA H 1 4.9290 0.0000 . 1 . . . . A 75 ARG HA . 30820 1 913 . 1 . 1 75 75 ARG HD2 H 1 2.6100 0.0000 . 2 . . . . A 75 ARG HD2 . 30820 1 914 . 1 . 1 75 75 ARG HE H 1 6.2040 0.0000 . 1 . . . . A 75 ARG HE . 30820 1 915 . 1 . 1 75 75 ARG C C 13 174.3960 0.0000 . 1 . . . . A 75 ARG C . 30820 1 916 . 1 . 1 75 75 ARG CA C 13 53.8250 0.0000 . 1 . . . . A 75 ARG CA . 30820 1 917 . 1 . 1 75 75 ARG CB C 13 34.6950 0.0000 . 1 . . . . A 75 ARG CB . 30820 1 918 . 1 . 1 75 75 ARG CG C 13 23.8450 0.0000 . 1 . . . . A 75 ARG CG . 30820 1 919 . 1 . 1 75 75 ARG CD C 13 43.2800 0.0000 . 1 . . . . A 75 ARG CD . 30820 1 920 . 1 . 1 75 75 ARG CZ C 13 158.8848 0.0000 . 1 . . . . A 75 ARG CZ . 30820 1 921 . 1 . 1 75 75 ARG N N 15 121.6490 0.0000 . 1 . . . . A 75 ARG N . 30820 1 922 . 1 . 1 75 75 ARG NE N 15 84.6130 0.0000 . 1 . . . . A 75 ARG NE . 30820 1 923 . 1 . 1 76 76 ALA H H 1 8.8650 0.0000 . 1 . . . . A 76 ALA H . 30820 1 924 . 1 . 1 76 76 ALA HA H 1 4.8510 0.0000 . 1 . . . . A 76 ALA HA . 30820 1 925 . 1 . 1 76 76 ALA HB1 H 1 1.1320 0.0000 . 1 . . . . A 76 ALA HB1 . 30820 1 926 . 1 . 1 76 76 ALA HB2 H 1 1.1320 0.0000 . 1 . . . . A 76 ALA HB2 . 30820 1 927 . 1 . 1 76 76 ALA HB3 H 1 1.1320 0.0000 . 1 . . . . A 76 ALA HB3 . 30820 1 928 . 1 . 1 76 76 ALA C C 13 176.7350 0.0000 . 1 . . . . A 76 ALA C . 30820 1 929 . 1 . 1 76 76 ALA CA C 13 50.4620 0.0000 . 1 . . . . A 76 ALA CA . 30820 1 930 . 1 . 1 76 76 ALA CB C 13 19.6790 0.0000 . 1 . . . . A 76 ALA CB . 30820 1 931 . 1 . 1 76 76 ALA N N 15 121.7800 0.0000 . 1 . . . . A 76 ALA N . 30820 1 932 . 1 . 1 77 77 ASN H H 1 8.1580 0.0000 . 1 . . . . A 77 ASN H . 30820 1 933 . 1 . 1 77 77 ASN HA H 1 4.4550 0.0000 . 1 . . . . A 77 ASN HA . 30820 1 934 . 1 . 1 77 77 ASN HB2 H 1 2.6700 0.0000 . 2 . . . . A 77 ASN HB2 . 30820 1 935 . 1 . 1 77 77 ASN HB3 H 1 2.2930 0.0000 . 2 . . . . A 77 ASN HB3 . 30820 1 936 . 1 . 1 77 77 ASN HD21 H 1 6.6400 0.0000 . 2 . . . . A 77 ASN HD21 . 30820 1 937 . 1 . 1 77 77 ASN HD22 H 1 7.4230 0.0000 . 2 . . . . A 77 ASN HD22 . 30820 1 938 . 1 . 1 77 77 ASN C C 13 175.2780 0.0000 . 1 . . . . A 77 ASN C . 30820 1 939 . 1 . 1 77 77 ASN CA C 13 52.7950 0.0000 . 1 . . . . A 77 ASN CA . 30820 1 940 . 1 . 1 77 77 ASN CB C 13 39.2950 0.0000 . 1 . . . . A 77 ASN CB . 30820 1 941 . 1 . 1 77 77 ASN N N 15 120.9240 0.0000 . 1 . . . . A 77 ASN N . 30820 1 942 . 1 . 1 77 77 ASN ND2 N 15 112.8350 0.0000 . 1 . . . . A 77 ASN ND2 . 30820 1 943 . 1 . 1 78 78 GLN H H 1 8.4520 0.0000 . 1 . . . . A 78 GLN H . 30820 1 944 . 1 . 1 78 78 GLN HA H 1 4.1840 0.0000 . 1 . . . . A 78 GLN HA . 30820 1 945 . 1 . 1 78 78 GLN HB2 H 1 2.0220 0.0000 . 2 . . . . A 78 GLN HB2 . 30820 1 946 . 1 . 1 78 78 GLN HB3 H 1 1.8280 0.0000 . 2 . . . . A 78 GLN HB3 . 30820 1 947 . 1 . 1 78 78 GLN HG2 H 1 2.2340 0.0000 . 2 . . . . A 78 GLN HG2 . 30820 1 948 . 1 . 1 78 78 GLN HG3 H 1 2.2340 0.0000 . 2 . . . . A 78 GLN HG3 . 30820 1 949 . 1 . 1 78 78 GLN HE21 H 1 7.5590 0.0000 . 2 . . . . A 78 GLN HE21 . 30820 1 950 . 1 . 1 78 78 GLN HE22 H 1 6.8480 0.0000 . 2 . . . . A 78 GLN HE22 . 30820 1 951 . 1 . 1 78 78 GLN C C 13 175.9700 0.0000 . 1 . . . . A 78 GLN C . 30820 1 952 . 1 . 1 78 78 GLN CA C 13 55.8320 0.0000 . 1 . . . . A 78 GLN CA . 30820 1 953 . 1 . 1 78 78 GLN CB C 13 29.3000 0.0000 . 1 . . . . A 78 GLN CB . 30820 1 954 . 1 . 1 78 78 GLN CG C 13 33.3540 0.0000 . 1 . . . . A 78 GLN CG . 30820 1 955 . 1 . 1 78 78 GLN CD C 13 179.9660 0.0000 . 1 . . . . A 78 GLN CD . 30820 1 956 . 1 . 1 78 78 GLN N N 15 121.2340 0.0000 . 1 . . . . A 78 GLN N . 30820 1 957 . 1 . 1 78 78 GLN NE2 N 15 112.9530 0.0000 . 1 . . . . A 78 GLN NE2 . 30820 1 958 . 1 . 1 79 79 GLY H H 1 8.4000 0.0000 . 1 . . . . A 79 GLY H . 30820 1 959 . 1 . 1 79 79 GLY HA2 H 1 3.8560 0.0000 . 2 . . . . A 79 GLY HA2 . 30820 1 960 . 1 . 1 79 79 GLY HA3 H 1 3.8540 0.0000 . 2 . . . . A 79 GLY HA3 . 30820 1 961 . 1 . 1 79 79 GLY C C 13 173.6760 0.0000 . 1 . . . . A 79 GLY C . 30820 1 962 . 1 . 1 79 79 GLY CA C 13 44.9310 0.0000 . 1 . . . . A 79 GLY CA . 30820 1 963 . 1 . 1 79 79 GLY N N 15 109.4030 0.0000 . 1 . . . . A 79 GLY N . 30820 1 964 . 1 . 1 80 80 HIS H H 1 8.2230 0.0000 . 1 . . . . A 80 HIS H . 30820 1 965 . 1 . 1 80 80 HIS HA H 1 4.6230 0.0000 . 1 . . . . A 80 HIS HA . 30820 1 966 . 1 . 1 80 80 HIS HB2 H 1 3.1060 0.0000 . 2 . . . . A 80 HIS HB2 . 30820 1 967 . 1 . 1 80 80 HIS HB3 H 1 3.0080 0.0000 . 2 . . . . A 80 HIS HB3 . 30820 1 968 . 1 . 1 80 80 HIS HD2 H 1 7.0070 0.0000 . 1 . . . . A 80 HIS HD2 . 30820 1 969 . 1 . 1 80 80 HIS C C 13 175.2920 0.0000 . 1 . . . . A 80 HIS C . 30820 1 970 . 1 . 1 80 80 HIS CA C 13 56.1750 0.0000 . 1 . . . . A 80 HIS CA . 30820 1 971 . 1 . 1 80 80 HIS CB C 13 30.5270 0.0000 . 1 . . . . A 80 HIS CB . 30820 1 972 . 1 . 1 80 80 HIS CD2 C 13 120.0060 0.0000 . 1 . . . . A 80 HIS CD2 . 30820 1 973 . 1 . 1 80 80 HIS N N 15 119.3740 0.0000 . 1 . . . . A 80 HIS N . 30820 1 974 . 1 . 1 81 81 SER H H 1 8.3170 0.0000 . 1 . . . . A 81 SER H . 30820 1 975 . 1 . 1 81 81 SER HA H 1 4.4700 0.0000 . 1 . . . . A 81 SER HA . 30820 1 976 . 1 . 1 81 81 SER HB2 H 1 3.8330 0.0000 . 2 . . . . A 81 SER HB2 . 30820 1 977 . 1 . 1 81 81 SER HB3 H 1 3.8280 0.0000 . 2 . . . . A 81 SER HB3 . 30820 1 978 . 1 . 1 81 81 SER C C 13 174.3570 0.0000 . 1 . . . . A 81 SER C . 30820 1 979 . 1 . 1 81 81 SER CA C 13 58.0230 0.0000 . 1 . . . . A 81 SER CA . 30820 1 980 . 1 . 1 81 81 SER CB C 13 63.7050 0.0000 . 1 . . . . A 81 SER CB . 30820 1 981 . 1 . 1 81 81 SER N N 15 116.9830 0.0000 . 1 . . . . A 81 SER N . 30820 1 982 . 1 . 1 82 82 VAL H H 1 8.2530 0.0000 . 1 . . . . A 82 VAL H . 30820 1 983 . 1 . 1 82 82 VAL HA H 1 4.0910 0.0000 . 1 . . . . A 82 VAL HA . 30820 1 984 . 1 . 1 82 82 VAL HB H 1 2.0740 0.0000 . 1 . . . . A 82 VAL HB . 30820 1 985 . 1 . 1 82 82 VAL HG11 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG11 . 30820 1 986 . 1 . 1 82 82 VAL HG12 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG12 . 30820 1 987 . 1 . 1 82 82 VAL HG13 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG13 . 30820 1 988 . 1 . 1 82 82 VAL HG21 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG21 . 30820 1 989 . 1 . 1 82 82 VAL HG22 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG22 . 30820 1 990 . 1 . 1 82 82 VAL HG23 H 1 0.8820 0.0000 . 2 . . . . A 82 VAL HG23 . 30820 1 991 . 1 . 1 82 82 VAL C C 13 176.0360 0.0000 . 1 . . . . A 82 VAL C . 30820 1 992 . 1 . 1 82 82 VAL CA C 13 62.4480 0.0000 . 1 . . . . A 82 VAL CA . 30820 1 993 . 1 . 1 82 82 VAL CB C 13 32.4430 0.0000 . 1 . . . . A 82 VAL CB . 30820 1 994 . 1 . 1 82 82 VAL CG1 C 13 20.8940 0.0000 . 2 . . . . A 82 VAL CG1 . 30820 1 995 . 1 . 1 82 82 VAL CG2 C 13 20.8010 0.0000 . 2 . . . . A 82 VAL CG2 . 30820 1 996 . 1 . 1 82 82 VAL N N 15 121.6470 0.0000 . 1 . . . . A 82 VAL N . 30820 1 997 . 1 . 1 83 83 GLU H H 1 8.4940 0.0000 . 1 . . . . A 83 GLU H . 30820 1 998 . 1 . 1 83 83 GLU HA H 1 4.2220 0.0000 . 1 . . . . A 83 GLU HA . 30820 1 999 . 1 . 1 83 83 GLU HB2 H 1 1.9760 0.0000 . 2 . . . . A 83 GLU HB2 . 30820 1 1000 . 1 . 1 83 83 GLU HB3 H 1 1.9180 0.0000 . 2 . . . . A 83 GLU HB3 . 30820 1 1001 . 1 . 1 83 83 GLU HG2 H 1 2.2290 0.0000 . 2 . . . . A 83 GLU HG2 . 30820 1 1002 . 1 . 1 83 83 GLU HG3 H 1 2.1690 0.0000 . 2 . . . . A 83 GLU HG3 . 30820 1 1003 . 1 . 1 83 83 GLU C C 13 173.9470 0.0000 . 1 . . . . A 83 GLU C . 30820 1 1004 . 1 . 1 83 83 GLU CA C 13 56.7950 0.0000 . 1 . . . . A 83 GLU CA . 30820 1 1005 . 1 . 1 83 83 GLU CB C 13 30.0140 0.0000 . 1 . . . . A 83 GLU CB . 30820 1 1006 . 1 . 1 83 83 GLU CG C 13 36.1040 0.0000 . 1 . . . . A 83 GLU CG . 30820 1 1007 . 1 . 1 83 83 GLU N N 15 124.0530 0.0000 . 1 . . . . A 83 GLU N . 30820 1 1008 . 1 . 1 84 84 VAL H H 1 8.0830 0.0000 . 1 . . . . A 84 VAL H . 30820 1 1009 . 1 . 1 84 84 VAL HA H 1 4.0390 0.0000 . 1 . . . . A 84 VAL HA . 30820 1 1010 . 1 . 1 84 84 VAL HB H 1 2.0000 0.0000 . 1 . . . . A 84 VAL HB . 30820 1 1011 . 1 . 1 84 84 VAL HG11 H 1 0.8510 0.0000 . 2 . . . . A 84 VAL HG11 . 30820 1 1012 . 1 . 1 84 84 VAL HG12 H 1 0.8510 0.0000 . 2 . . . . A 84 VAL HG12 . 30820 1 1013 . 1 . 1 84 84 VAL HG13 H 1 0.8510 0.0000 . 2 . . . . A 84 VAL HG13 . 30820 1 1014 . 1 . 1 84 84 VAL HG21 H 1 0.8790 0.0000 . 2 . . . . A 84 VAL HG21 . 30820 1 1015 . 1 . 1 84 84 VAL HG22 H 1 0.8790 0.0000 . 2 . . . . A 84 VAL HG22 . 30820 1 1016 . 1 . 1 84 84 VAL HG23 H 1 0.8790 0.0000 . 2 . . . . A 84 VAL HG23 . 30820 1 1017 . 1 . 1 84 84 VAL C C 13 175.7030 0.0000 . 1 . . . . A 84 VAL C . 30820 1 1018 . 1 . 1 84 84 VAL CA C 13 62.3600 0.0000 . 1 . . . . A 84 VAL CA . 30820 1 1019 . 1 . 1 84 84 VAL CB C 13 32.7790 0.0000 . 1 . . . . A 84 VAL CB . 30820 1 1020 . 1 . 1 84 84 VAL CG1 C 13 21.0230 0.0000 . 2 . . . . A 84 VAL CG1 . 30820 1 1021 . 1 . 1 84 84 VAL CG2 C 13 20.6580 0.0000 . 2 . . . . A 84 VAL CG2 . 30820 1 1022 . 1 . 1 84 84 VAL N N 15 120.7990 0.0000 . 1 . . . . A 84 VAL N . 30820 1 1023 . 1 . 1 85 85 ASP H H 1 8.3540 0.0000 . 1 . . . . A 85 ASP H . 30820 1 1024 . 1 . 1 85 85 ASP HA H 1 4.5290 0.0000 . 1 . . . . A 85 ASP HA . 30820 1 1025 . 1 . 1 85 85 ASP HB2 H 1 2.6720 0.0000 . 2 . . . . A 85 ASP HB2 . 30820 1 1026 . 1 . 1 85 85 ASP HB3 H 1 2.5630 0.0000 . 2 . . . . A 85 ASP HB3 . 30820 1 1027 . 1 . 1 85 85 ASP C C 13 176.1820 0.0000 . 1 . . . . A 85 ASP C . 30820 1 1028 . 1 . 1 85 85 ASP CA C 13 54.1066 0.0000 . 1 . . . . A 85 ASP CA . 30820 1 1029 . 1 . 1 85 85 ASP CB C 13 41.0240 0.0000 . 1 . . . . A 85 ASP CB . 30820 1 1030 . 1 . 1 85 85 ASP N N 15 123.8860 0.0000 . 1 . . . . A 85 ASP N . 30820 1 1031 . 1 . 1 86 86 LEU H H 1 8.2650 0.0000 . 1 . . . . A 86 LEU H . 30820 1 1032 . 1 . 1 86 86 LEU HA H 1 4.1770 0.0000 . 1 . . . . A 86 LEU HA . 30820 1 1033 . 1 . 1 86 86 LEU HB2 H 1 1.3520 0.0000 . 2 . . . . A 86 LEU HB2 . 30820 1 1034 . 1 . 1 86 86 LEU HB3 H 1 1.2070 0.0000 . 2 . . . . A 86 LEU HB3 . 30820 1 1035 . 1 . 1 86 86 LEU HG H 1 1.4870 0.0000 . 1 . . . . A 86 LEU HG . 30820 1 1036 . 1 . 1 86 86 LEU HD11 H 1 0.7980 0.0000 . 2 . . . . A 86 LEU HD11 . 30820 1 1037 . 1 . 1 86 86 LEU HD12 H 1 0.7980 0.0000 . 2 . . . . A 86 LEU HD12 . 30820 1 1038 . 1 . 1 86 86 LEU HD13 H 1 0.7980 0.0000 . 2 . . . . A 86 LEU HD13 . 30820 1 1039 . 1 . 1 86 86 LEU HD21 H 1 0.7530 0.0000 . 2 . . . . A 86 LEU HD21 . 30820 1 1040 . 1 . 1 86 86 LEU HD22 H 1 0.7530 0.0000 . 2 . . . . A 86 LEU HD22 . 30820 1 1041 . 1 . 1 86 86 LEU HD23 H 1 0.7530 0.0000 . 2 . . . . A 86 LEU HD23 . 30820 1 1042 . 1 . 1 86 86 LEU C C 13 177.7710 0.0000 . 1 . . . . A 86 LEU C . 30820 1 1043 . 1 . 1 86 86 LEU CA C 13 55.1850 0.0000 . 1 . . . . A 86 LEU CA . 30820 1 1044 . 1 . 1 86 86 LEU CB C 13 42.0380 0.0000 . 1 . . . . A 86 LEU CB . 30820 1 1045 . 1 . 1 86 86 LEU CG C 13 26.4200 0.0000 . 1 . . . . A 86 LEU CG . 30820 1 1046 . 1 . 1 86 86 LEU CD1 C 13 25.3200 0.0000 . 2 . . . . A 86 LEU CD1 . 30820 1 1047 . 1 . 1 86 86 LEU CD2 C 13 22.8490 0.0000 . 2 . . . . A 86 LEU CD2 . 30820 1 1048 . 1 . 1 86 86 LEU N N 15 122.9850 0.0000 . 1 . . . . A 86 LEU N . 30820 1 1049 . 1 . 1 87 87 GLY H H 1 8.2830 0.0000 . 1 . . . . A 87 GLY H . 30820 1 1050 . 1 . 1 87 87 GLY HA2 H 1 3.8840 0.0000 . 2 . . . . A 87 GLY HA2 . 30820 1 1051 . 1 . 1 87 87 GLY HA3 H 1 3.7770 0.0000 . 2 . . . . A 87 GLY HA3 . 30820 1 1052 . 1 . 1 87 87 GLY C C 13 172.9990 0.0000 . 1 . . . . A 87 GLY C . 30820 1 1053 . 1 . 1 87 87 GLY CA C 13 45.3430 0.0000 . 1 . . . . A 87 GLY CA . 30820 1 1054 . 1 . 1 87 87 GLY N N 15 107.5860 0.0000 . 1 . . . . A 87 GLY N . 30820 1 1055 . 1 . 1 88 88 TYR H H 1 7.2640 0.0000 . 1 . . . . A 88 TYR H . 30820 1 1056 . 1 . 1 88 88 TYR HA H 1 4.9870 0.0000 . 1 . . . . A 88 TYR HA . 30820 1 1057 . 1 . 1 88 88 TYR HB2 H 1 2.7120 0.0000 . 2 . . . . A 88 TYR HB2 . 30820 1 1058 . 1 . 1 88 88 TYR HB3 H 1 2.3950 0.0000 . 2 . . . . A 88 TYR HB3 . 30820 1 1059 . 1 . 1 88 88 TYR HD1 H 1 6.5490 0.0000 . 3 . . . . A 88 TYR HD1 . 30820 1 1060 . 1 . 1 88 88 TYR HD2 H 1 6.4960 0.0000 . 3 . . . . A 88 TYR HD2 . 30820 1 1061 . 1 . 1 88 88 TYR HE1 H 1 6.3600 0.0000 . 3 . . . . A 88 TYR HE1 . 30820 1 1062 . 1 . 1 88 88 TYR HE2 H 1 6.3090 0.0000 . 3 . . . . A 88 TYR HE2 . 30820 1 1063 . 1 . 1 88 88 TYR C C 13 173.9640 0.0000 . 1 . . . . A 88 TYR C . 30820 1 1064 . 1 . 1 88 88 TYR CA C 13 55.4090 0.0000 . 1 . . . . A 88 TYR CA . 30820 1 1065 . 1 . 1 88 88 TYR CB C 13 39.8730 0.0000 . 1 . . . . A 88 TYR CB . 30820 1 1066 . 1 . 1 88 88 TYR CD1 C 13 133.4600 0.0000 . 3 . . . . A 88 TYR CD1 . 30820 1 1067 . 1 . 1 88 88 TYR CD2 C 13 133.4450 0.0000 . 3 . . . . A 88 TYR CD2 . 30820 1 1068 . 1 . 1 88 88 TYR CE1 C 13 117.5250 0.0000 . 3 . . . . A 88 TYR CE1 . 30820 1 1069 . 1 . 1 88 88 TYR CE2 C 13 117.4760 0.0000 . 3 . . . . A 88 TYR CE2 . 30820 1 1070 . 1 . 1 88 88 TYR N N 15 115.7850 0.0000 . 1 . . . . A 88 TYR N . 30820 1 1071 . 1 . 1 89 89 GLU H H 1 8.0800 0.0000 . 1 . . . . A 89 GLU H . 30820 1 1072 . 1 . 1 89 89 GLU HA H 1 4.8260 0.0000 . 1 . . . . A 89 GLU HA . 30820 1 1073 . 1 . 1 89 89 GLU HB2 H 1 2.0760 0.0000 . 2 . . . . A 89 GLU HB2 . 30820 1 1074 . 1 . 1 89 89 GLU HB3 H 1 1.9710 0.0000 . 2 . . . . A 89 GLU HB3 . 30820 1 1075 . 1 . 1 89 89 GLU HG2 H 1 2.2960 0.0000 . 2 . . . . A 89 GLU HG2 . 30820 1 1076 . 1 . 1 89 89 GLU HG3 H 1 2.3050 0.0000 . 2 . . . . A 89 GLU HG3 . 30820 1 1077 . 1 . 1 89 89 GLU C C 13 175.1080 0.0000 . 1 . . . . A 89 GLU C . 30820 1 1078 . 1 . 1 89 89 GLU CA C 13 54.6050 0.0000 . 1 . . . . A 89 GLU CA . 30820 1 1079 . 1 . 1 89 89 GLU CB C 13 33.4080 0.0000 . 1 . . . . A 89 GLU CB . 30820 1 1080 . 1 . 1 89 89 GLU CG C 13 35.9000 0.0000 . 1 . . . . A 89 GLU CG . 30820 1 1081 . 1 . 1 89 89 GLU N N 15 117.8850 0.0000 . 1 . . . . A 89 GLU N . 30820 1 1082 . 1 . 1 90 90 LYS H H 1 9.1430 0.0000 . 1 . . . . A 90 LYS H . 30820 1 1083 . 1 . 1 90 90 LYS HA H 1 4.5020 0.0000 . 1 . . . . A 90 LYS HA . 30820 1 1084 . 1 . 1 90 90 LYS HB2 H 1 1.7460 0.0000 . 2 . . . . A 90 LYS HB2 . 30820 1 1085 . 1 . 1 90 90 LYS HB3 H 1 1.8280 0.0000 . 2 . . . . A 90 LYS HB3 . 30820 1 1086 . 1 . 1 90 90 LYS HG2 H 1 1.1870 0.0000 . 2 . . . . A 90 LYS HG2 . 30820 1 1087 . 1 . 1 90 90 LYS HG3 H 1 1.3790 0.0000 . 2 . . . . A 90 LYS HG3 . 30820 1 1088 . 1 . 1 90 90 LYS HD2 H 1 1.5850 0.0000 . 2 . . . . A 90 LYS HD2 . 30820 1 1089 . 1 . 1 90 90 LYS HE2 H 1 2.9500 0.0000 . 2 . . . . A 90 LYS HE2 . 30820 1 1090 . 1 . 1 90 90 LYS C C 13 176.5720 0.0000 . 1 . . . . A 90 LYS C . 30820 1 1091 . 1 . 1 90 90 LYS CA C 13 57.6480 0.0000 . 1 . . . . A 90 LYS CA . 30820 1 1092 . 1 . 1 90 90 LYS CB C 13 32.9020 0.0000 . 1 . . . . A 90 LYS CB . 30820 1 1093 . 1 . 1 90 90 LYS CG C 13 25.0790 0.0000 . 1 . . . . A 90 LYS CG . 30820 1 1094 . 1 . 1 90 90 LYS CD C 13 29.2790 0.0000 . 1 . . . . A 90 LYS CD . 30820 1 1095 . 1 . 1 90 90 LYS CE C 13 42.1090 0.0000 . 1 . . . . A 90 LYS CE . 30820 1 1096 . 1 . 1 90 90 LYS N N 15 127.4550 0.0000 . 1 . . . . A 90 LYS N . 30820 1 1097 . 1 . 1 91 91 GLN H H 1 8.4030 0.0000 . 1 . . . . A 91 GLN H . 30820 1 1098 . 1 . 1 91 91 GLN HA H 1 4.7660 0.0000 . 1 . . . . A 91 GLN HA . 30820 1 1099 . 1 . 1 91 91 GLN HB2 H 1 2.3970 0.0000 . 2 . . . . A 91 GLN HB2 . 30820 1 1100 . 1 . 1 91 91 GLN HG2 H 1 2.4690 0.0000 . 2 . . . . A 91 GLN HG2 . 30820 1 1101 . 1 . 1 91 91 GLN HE21 H 1 6.8380 0.0000 . 2 . . . . A 91 GLN HE21 . 30820 1 1102 . 1 . 1 91 91 GLN HE22 H 1 7.4480 0.0000 . 2 . . . . A 91 GLN HE22 . 30820 1 1103 . 1 . 1 91 91 GLN C C 13 174.5560 0.0000 . 1 . . . . A 91 GLN C . 30820 1 1104 . 1 . 1 91 91 GLN CA C 13 54.4280 0.0000 . 1 . . . . A 91 GLN CA . 30820 1 1105 . 1 . 1 91 91 GLN CB C 13 33.7420 0.0000 . 1 . . . . A 91 GLN CB . 30820 1 1106 . 1 . 1 91 91 GLN CG C 13 33.7590 0.0000 . 1 . . . . A 91 GLN CG . 30820 1 1107 . 1 . 1 91 91 GLN N N 15 125.3800 0.0000 . 1 . . . . A 91 GLN N . 30820 1 1108 . 1 . 1 91 91 GLN NE2 N 15 111.8270 0.0000 . 1 . . . . A 91 GLN NE2 . 30820 1 1109 . 1 . 1 92 92 VAL H H 1 8.5930 0.0000 . 1 . . . . A 92 VAL H . 30820 1 1110 . 1 . 1 92 92 VAL HA H 1 4.1950 0.0000 . 1 . . . . A 92 VAL HA . 30820 1 1111 . 1 . 1 92 92 VAL HB H 1 1.9730 0.0000 . 1 . . . . A 92 VAL HB . 30820 1 1112 . 1 . 1 92 92 VAL HG11 H 1 1.0630 0.0000 . 2 . . . . A 92 VAL HG11 . 30820 1 1113 . 1 . 1 92 92 VAL HG12 H 1 1.0630 0.0000 . 2 . . . . A 92 VAL HG12 . 30820 1 1114 . 1 . 1 92 92 VAL HG13 H 1 1.0630 0.0000 . 2 . . . . A 92 VAL HG13 . 30820 1 1115 . 1 . 1 92 92 VAL HG21 H 1 0.9580 0.0000 . 2 . . . . A 92 VAL HG21 . 30820 1 1116 . 1 . 1 92 92 VAL HG22 H 1 0.9580 0.0000 . 2 . . . . A 92 VAL HG22 . 30820 1 1117 . 1 . 1 92 92 VAL HG23 H 1 0.9580 0.0000 . 2 . . . . A 92 VAL HG23 . 30820 1 1118 . 1 . 1 92 92 VAL C C 13 174.0680 0.0000 . 1 . . . . A 92 VAL C . 30820 1 1119 . 1 . 1 92 92 VAL CA C 13 60.3750 0.0000 . 1 . . . . A 92 VAL CA . 30820 1 1120 . 1 . 1 92 92 VAL CB C 13 32.3360 0.0000 . 1 . . . . A 92 VAL CB . 30820 1 1121 . 1 . 1 92 92 VAL CG1 C 13 21.7150 0.0000 . 2 . . . . A 92 VAL CG1 . 30820 1 1122 . 1 . 1 92 92 VAL CG2 C 13 20.5810 0.0000 . 2 . . . . A 92 VAL CG2 . 30820 1 1123 . 1 . 1 92 92 VAL N N 15 124.8030 0.0000 . 1 . . . . A 92 VAL N . 30820 1 1124 . 1 . 1 93 93 PRO HD2 H 1 3.4130 0.0000 . 2 . . . . A 93 PRO HD2 . 30820 1 1125 . 1 . 1 94 94 PRO HA H 1 4.2870 0.0000 . 1 . . . . A 94 PRO HA . 30820 1 1126 . 1 . 1 94 94 PRO HB2 H 1 1.7080 0.0000 . 2 . . . . A 94 PRO HB2 . 30820 1 1127 . 1 . 1 94 94 PRO HB3 H 1 2.2370 0.0000 . 2 . . . . A 94 PRO HB3 . 30820 1 1128 . 1 . 1 94 94 PRO C C 13 173.5570 0.0000 . 1 . . . . A 94 PRO C . 30820 1 1129 . 1 . 1 94 94 PRO CA C 13 61.6540 0.0000 . 1 . . . . A 94 PRO CA . 30820 1 1130 . 1 . 1 94 94 PRO CB C 13 31.3890 0.0000 . 1 . . . . A 94 PRO CB . 30820 1 1131 . 1 . 1 94 94 PRO CG C 13 26.8430 0.0000 . 1 . . . . A 94 PRO CG . 30820 1 1132 . 1 . 1 94 94 PRO CD C 13 49.4660 0.0000 . 1 . . . . A 94 PRO CD . 30820 1 1133 . 1 . 1 95 95 ALA H H 1 7.8510 0.0000 . 1 . . . . A 95 ALA H . 30820 1 1134 . 1 . 1 95 95 ALA HA H 1 3.7940 0.0000 . 1 . . . . A 95 ALA HA . 30820 1 1135 . 1 . 1 95 95 ALA HB1 H 1 1.3760 0.0000 . 1 . . . . A 95 ALA HB1 . 30820 1 1136 . 1 . 1 95 95 ALA HB2 H 1 1.3760 0.0000 . 1 . . . . A 95 ALA HB2 . 30820 1 1137 . 1 . 1 95 95 ALA HB3 H 1 1.3760 0.0000 . 1 . . . . A 95 ALA HB3 . 30820 1 1138 . 1 . 1 95 95 ALA C C 13 178.7750 0.0000 . 1 . . . . A 95 ALA C . 30820 1 1139 . 1 . 1 95 95 ALA CA C 13 54.7810 0.0000 . 1 . . . . A 95 ALA CA . 30820 1 1140 . 1 . 1 95 95 ALA CB C 13 18.5140 0.0000 . 1 . . . . A 95 ALA CB . 30820 1 1141 . 1 . 1 95 95 ALA N N 15 116.1310 0.0000 . 1 . . . . A 95 ALA N . 30820 1 1142 . 1 . 1 96 96 VAL H H 1 7.3980 0.0000 . 1 . . . . A 96 VAL H . 30820 1 1143 . 1 . 1 96 96 VAL HA H 1 4.5800 0.0000 . 1 . . . . A 96 VAL HA . 30820 1 1144 . 1 . 1 96 96 VAL HB H 1 1.6080 0.0000 . 1 . . . . A 96 VAL HB . 30820 1 1145 . 1 . 1 96 96 VAL HG11 H 1 0.7670 0.0000 . 2 . . . . A 96 VAL HG11 . 30820 1 1146 . 1 . 1 96 96 VAL HG12 H 1 0.7670 0.0000 . 2 . . . . A 96 VAL HG12 . 30820 1 1147 . 1 . 1 96 96 VAL HG13 H 1 0.7670 0.0000 . 2 . . . . A 96 VAL HG13 . 30820 1 1148 . 1 . 1 96 96 VAL HG21 H 1 0.4460 0.0000 . 2 . . . . A 96 VAL HG21 . 30820 1 1149 . 1 . 1 96 96 VAL HG22 H 1 0.4460 0.0000 . 2 . . . . A 96 VAL HG22 . 30820 1 1150 . 1 . 1 96 96 VAL HG23 H 1 0.4460 0.0000 . 2 . . . . A 96 VAL HG23 . 30820 1 1151 . 1 . 1 96 96 VAL C C 13 174.1470 0.0000 . 1 . . . . A 96 VAL C . 30820 1 1152 . 1 . 1 96 96 VAL CA C 13 60.0860 0.0000 . 1 . . . . A 96 VAL CA . 30820 1 1153 . 1 . 1 96 96 VAL CB C 13 34.7250 0.0000 . 1 . . . . A 96 VAL CB . 30820 1 1154 . 1 . 1 96 96 VAL CG1 C 13 21.1570 0.0000 . 2 . . . . A 96 VAL CG1 . 30820 1 1155 . 1 . 1 96 96 VAL CG2 C 13 21.6890 0.0000 . 2 . . . . A 96 VAL CG2 . 30820 1 1156 . 1 . 1 96 96 VAL N N 15 115.6170 0.0000 . 1 . . . . A 96 VAL N . 30820 1 1157 . 1 . 1 97 97 LEU H H 1 7.6090 0.0000 . 1 . . . . A 97 LEU H . 30820 1 1158 . 1 . 1 97 97 LEU HA H 1 4.3160 0.0000 . 1 . . . . A 97 LEU HA . 30820 1 1159 . 1 . 1 97 97 LEU HB2 H 1 1.7660 0.0000 . 2 . . . . A 97 LEU HB2 . 30820 1 1160 . 1 . 1 97 97 LEU HD11 H 1 0.0780 0.0000 . 2 . . . . A 97 LEU HD11 . 30820 1 1161 . 1 . 1 97 97 LEU HD12 H 1 0.0780 0.0000 . 2 . . . . A 97 LEU HD12 . 30820 1 1162 . 1 . 1 97 97 LEU HD13 H 1 0.0780 0.0000 . 2 . . . . A 97 LEU HD13 . 30820 1 1163 . 1 . 1 97 97 LEU HD21 H 1 0.1750 0.0000 . 2 . . . . A 97 LEU HD21 . 30820 1 1164 . 1 . 1 97 97 LEU HD22 H 1 0.1750 0.0000 . 2 . . . . A 97 LEU HD22 . 30820 1 1165 . 1 . 1 97 97 LEU HD23 H 1 0.1750 0.0000 . 2 . . . . A 97 LEU HD23 . 30820 1 1166 . 1 . 1 97 97 LEU CA C 13 51.8560 0.0000 . 1 . . . . A 97 LEU CA . 30820 1 1167 . 1 . 1 97 97 LEU CB C 13 43.3500 0.0000 . 1 . . . . A 97 LEU CB . 30820 1 1168 . 1 . 1 97 97 LEU CD1 C 13 26.7900 0.0000 . 2 . . . . A 97 LEU CD1 . 30820 1 1169 . 1 . 1 97 97 LEU CD2 C 13 23.4140 0.0000 . 2 . . . . A 97 LEU CD2 . 30820 1 1170 . 1 . 1 97 97 LEU N N 15 123.2460 0.0000 . 1 . . . . A 97 LEU N . 30820 1 1171 . 1 . 1 98 98 PHE H H 1 8.8890 0.0000 . 1 . . . . A 98 PHE H . 30820 1 1172 . 1 . 1 98 98 PHE C C 13 181.9490 0.0000 . 1 . . . . A 98 PHE C . 30820 1 1173 . 1 . 1 98 98 PHE CA C 13 57.0360 0.0000 . 1 . . . . A 98 PHE CA . 30820 1 1174 . 1 . 1 98 98 PHE N N 15 115.0630 0.0000 . 1 . . . . A 98 PHE N . 30820 1 1175 . 1 . 1 99 99 HIS HE1 H 1 7.7310 0.0000 . 1 . . . . A 99 HIS HE1 . 30820 1 1176 . 1 . 1 99 99 HIS CE1 C 13 138.7970 0.0000 . 1 . . . . A 99 HIS CE1 . 30820 1 1177 . 1 . 1 100 100 GLY H H 1 8.4700 0.0000 . 1 . . . . A 100 GLY H . 30820 1 1178 . 1 . 1 100 100 GLY N N 15 108.7390 0.0000 . 1 . . . . A 100 GLY N . 30820 1 1179 . 1 . 1 101 101 THR H H 1 9.0630 0.0000 . 1 . . . . A 101 THR H . 30820 1 1180 . 1 . 1 101 101 THR HG21 H 1 1.0370 0.0000 . 1 . . . . A 101 THR HG21 . 30820 1 1181 . 1 . 1 101 101 THR HG22 H 1 1.0370 0.0000 . 1 . . . . A 101 THR HG22 . 30820 1 1182 . 1 . 1 101 101 THR HG23 H 1 1.0370 0.0000 . 1 . . . . A 101 THR HG23 . 30820 1 1183 . 1 . 1 101 101 THR C C 13 171.2210 0.0000 . 1 . . . . A 101 THR C . 30820 1 1184 . 1 . 1 101 101 THR CA C 13 60.1880 0.0000 . 1 . . . . A 101 THR CA . 30820 1 1185 . 1 . 1 101 101 THR CG2 C 13 17.5930 0.0000 . 1 . . . . A 101 THR CG2 . 30820 1 1186 . 1 . 1 101 101 THR N N 15 119.6400 0.0000 . 1 . . . . A 101 THR N . 30820 1 1187 . 1 . 1 102 102 ALA H H 1 7.5800 0.0000 . 1 . . . . A 102 ALA H . 30820 1 1188 . 1 . 1 102 102 ALA HA H 1 5.0090 0.0000 . 1 . . . . A 102 ALA HA . 30820 1 1189 . 1 . 1 102 102 ALA HB1 H 1 1.4080 0.0000 . 1 . . . . A 102 ALA HB1 . 30820 1 1190 . 1 . 1 102 102 ALA HB2 H 1 1.4080 0.0000 . 1 . . . . A 102 ALA HB2 . 30820 1 1191 . 1 . 1 102 102 ALA HB3 H 1 1.4080 0.0000 . 1 . . . . A 102 ALA HB3 . 30820 1 1192 . 1 . 1 102 102 ALA C C 13 178.8160 0.0000 . 1 . . . . A 102 ALA C . 30820 1 1193 . 1 . 1 102 102 ALA CA C 13 50.1520 0.0000 . 1 . . . . A 102 ALA CA . 30820 1 1194 . 1 . 1 102 102 ALA CB C 13 21.2030 0.0000 . 1 . . . . A 102 ALA CB . 30820 1 1195 . 1 . 1 102 102 ALA N N 15 122.0460 0.0000 . 1 . . . . A 102 ALA N . 30820 1 1196 . 1 . 1 103 103 GLU H H 1 9.3140 0.0000 . 1 . . . . A 103 GLU H . 30820 1 1197 . 1 . 1 103 103 GLU HA H 1 3.7820 0.0000 . 1 . . . . A 103 GLU HA . 30820 1 1198 . 1 . 1 103 103 GLU HB2 H 1 2.0850 0.0000 . 2 . . . . A 103 GLU HB2 . 30820 1 1199 . 1 . 1 103 103 GLU HB3 H 1 2.0790 0.0000 . 2 . . . . A 103 GLU HB3 . 30820 1 1200 . 1 . 1 103 103 GLU HG2 H 1 2.1770 0.0000 . 2 . . . . A 103 GLU HG2 . 30820 1 1201 . 1 . 1 103 103 GLU HG3 H 1 2.2050 0.0000 . 2 . . . . A 103 GLU HG3 . 30820 1 1202 . 1 . 1 103 103 GLU C C 13 178.7370 0.0000 . 1 . . . . A 103 GLU C . 30820 1 1203 . 1 . 1 103 103 GLU CA C 13 60.1790 0.0000 . 1 . . . . A 103 GLU CA . 30820 1 1204 . 1 . 1 103 103 GLU CB C 13 29.6130 0.0000 . 1 . . . . A 103 GLU CB . 30820 1 1205 . 1 . 1 103 103 GLU CG C 13 36.3050 0.0000 . 1 . . . . A 103 GLU CG . 30820 1 1206 . 1 . 1 103 103 GLU N N 15 124.2810 0.0000 . 1 . . . . A 103 GLU N . 30820 1 1207 . 1 . 1 104 104 LYS H H 1 8.4790 0.0000 . 1 . . . . A 104 LYS H . 30820 1 1208 . 1 . 1 104 104 LYS HA H 1 4.3400 0.0000 . 1 . . . . A 104 LYS HA . 30820 1 1209 . 1 . 1 104 104 LYS HB2 H 1 1.9990 0.0000 . 2 . . . . A 104 LYS HB2 . 30820 1 1210 . 1 . 1 104 104 LYS HB3 H 1 1.9990 0.0000 . 2 . . . . A 104 LYS HB3 . 30820 1 1211 . 1 . 1 104 104 LYS HG2 H 1 1.3180 0.0000 . 2 . . . . A 104 LYS HG2 . 30820 1 1212 . 1 . 1 104 104 LYS HG3 H 1 1.3200 0.0000 . 2 . . . . A 104 LYS HG3 . 30820 1 1213 . 1 . 1 104 104 LYS HD2 H 1 1.8090 0.0000 . 2 . . . . A 104 LYS HD2 . 30820 1 1214 . 1 . 1 104 104 LYS HD3 H 1 1.7550 0.0000 . 2 . . . . A 104 LYS HD3 . 30820 1 1215 . 1 . 1 104 104 LYS HE2 H 1 3.0730 0.0000 . 2 . . . . A 104 LYS HE2 . 30820 1 1216 . 1 . 1 104 104 LYS CA C 13 57.9620 0.0000 . 1 . . . . A 104 LYS CA . 30820 1 1217 . 1 . 1 104 104 LYS CB C 13 30.9910 0.0000 . 1 . . . . A 104 LYS CB . 30820 1 1218 . 1 . 1 104 104 LYS CG C 13 23.6520 0.0000 . 1 . . . . A 104 LYS CG . 30820 1 1219 . 1 . 1 104 104 LYS CD C 13 29.5290 0.0000 . 1 . . . . A 104 LYS CD . 30820 1 1220 . 1 . 1 104 104 LYS CE C 13 41.8890 0.0000 . 1 . . . . A 104 LYS CE . 30820 1 1221 . 1 . 1 104 104 LYS N N 15 116.6080 0.0000 . 1 . . . . A 104 LYS N . 30820 1 1222 . 1 . 1 105 105 ASN H H 1 7.9700 0.0000 . 1 . . . . A 105 ASN H . 30820 1 1223 . 1 . 1 105 105 ASN HA H 1 4.4590 0.0000 . 1 . . . . A 105 ASN HA . 30820 1 1224 . 1 . 1 105 105 ASN HB2 H 1 2.8820 0.0000 . 2 . . . . A 105 ASN HB2 . 30820 1 1225 . 1 . 1 105 105 ASN HB3 H 1 3.1170 0.0000 . 2 . . . . A 105 ASN HB3 . 30820 1 1226 . 1 . 1 105 105 ASN HD21 H 1 8.1810 0.0000 . 2 . . . . A 105 ASN HD21 . 30820 1 1227 . 1 . 1 105 105 ASN HD22 H 1 7.2380 0.0000 . 2 . . . . A 105 ASN HD22 . 30820 1 1228 . 1 . 1 105 105 ASN C C 13 175.4170 0.0000 . 1 . . . . A 105 ASN C . 30820 1 1229 . 1 . 1 105 105 ASN CA C 13 53.1090 0.0000 . 1 . . . . A 105 ASN CA . 30820 1 1230 . 1 . 1 105 105 ASN N N 15 116.5710 0.0000 . 1 . . . . A 105 ASN N . 30820 1 1231 . 1 . 1 105 105 ASN ND2 N 15 114.4350 0.0000 . 1 . . . . A 105 ASN ND2 . 30820 1 1232 . 1 . 1 106 106 PHE H H 1 7.8970 0.0000 . 1 . . . . A 106 PHE H . 30820 1 1233 . 1 . 1 106 106 PHE HA H 1 3.7860 0.0000 . 1 . . . . A 106 PHE HA . 30820 1 1234 . 1 . 1 106 106 PHE HB2 H 1 3.1240 0.0000 . 2 . . . . A 106 PHE HB2 . 30820 1 1235 . 1 . 1 106 106 PHE HB3 H 1 3.2700 0.0000 . 2 . . . . A 106 PHE HB3 . 30820 1 1236 . 1 . 1 106 106 PHE HD1 H 1 7.1610 0.0000 . 3 . . . . A 106 PHE HD1 . 30820 1 1237 . 1 . 1 106 106 PHE HE1 H 1 7.2950 0.0000 . 3 . . . . A 106 PHE HE1 . 30820 1 1238 . 1 . 1 106 106 PHE HZ H 1 7.3040 0.0000 . 1 . . . . A 106 PHE HZ . 30820 1 1239 . 1 . 1 106 106 PHE C C 13 175.0490 0.0000 . 1 . . . . A 106 PHE C . 30820 1 1240 . 1 . 1 106 106 PHE CA C 13 62.7220 0.0000 . 1 . . . . A 106 PHE CA . 30820 1 1241 . 1 . 1 106 106 PHE CB C 13 40.1040 0.0000 . 1 . . . . A 106 PHE CB . 30820 1 1242 . 1 . 1 106 106 PHE CD1 C 13 131.5300 0.0000 . 3 . . . . A 106 PHE CD1 . 30820 1 1243 . 1 . 1 106 106 PHE CE1 C 13 131.5980 0.0000 . 3 . . . . A 106 PHE CE1 . 30820 1 1244 . 1 . 1 106 106 PHE CZ C 13 130.8400 0.0000 . 1 . . . . A 106 PHE CZ . 30820 1 1245 . 1 . 1 106 106 PHE N N 15 121.6100 0.0000 . 1 . . . . A 106 PHE N . 30820 1 1246 . 1 . 1 107 107 ASP H H 1 8.6230 0.0000 . 1 . . . . A 107 ASP H . 30820 1 1247 . 1 . 1 107 107 ASP HA H 1 4.1060 0.0000 . 1 . . . . A 107 ASP HA . 30820 1 1248 . 1 . 1 107 107 ASP HB2 H 1 2.5730 0.0000 . 2 . . . . A 107 ASP HB2 . 30820 1 1249 . 1 . 1 107 107 ASP HB3 H 1 2.5720 0.0000 . 2 . . . . A 107 ASP HB3 . 30820 1 1250 . 1 . 1 107 107 ASP C C 13 178.8660 0.0000 . 1 . . . . A 107 ASP C . 30820 1 1251 . 1 . 1 107 107 ASP CA C 13 57.3430 0.0000 . 1 . . . . A 107 ASP CA . 30820 1 1252 . 1 . 1 107 107 ASP CB C 13 40.1550 0.0000 . 1 . . . . A 107 ASP CB . 30820 1 1253 . 1 . 1 107 107 ASP N N 15 116.3570 0.0000 . 1 . . . . A 107 ASP N . 30820 1 1254 . 1 . 1 108 108 LEU H H 1 7.4810 0.0000 . 1 . . . . A 108 LEU H . 30820 1 1255 . 1 . 1 108 108 LEU HA H 1 4.0730 0.0000 . 1 . . . . A 108 LEU HA . 30820 1 1256 . 1 . 1 108 108 LEU HB2 H 1 1.7550 0.0000 . 2 . . . . A 108 LEU HB2 . 30820 1 1257 . 1 . 1 108 108 LEU HB3 H 1 1.8480 0.0000 . 2 . . . . A 108 LEU HB3 . 30820 1 1258 . 1 . 1 108 108 LEU HG H 1 1.8300 0.0000 . 1 . . . . A 108 LEU HG . 30820 1 1259 . 1 . 1 108 108 LEU HD11 H 1 1.0360 0.0000 . 2 . . . . A 108 LEU HD11 . 30820 1 1260 . 1 . 1 108 108 LEU HD12 H 1 1.0360 0.0000 . 2 . . . . A 108 LEU HD12 . 30820 1 1261 . 1 . 1 108 108 LEU HD13 H 1 1.0360 0.0000 . 2 . . . . A 108 LEU HD13 . 30820 1 1262 . 1 . 1 108 108 LEU HD21 H 1 1.1610 0.0000 . 2 . . . . A 108 LEU HD21 . 30820 1 1263 . 1 . 1 108 108 LEU HD22 H 1 1.1610 0.0000 . 2 . . . . A 108 LEU HD22 . 30820 1 1264 . 1 . 1 108 108 LEU HD23 H 1 1.1610 0.0000 . 2 . . . . A 108 LEU HD23 . 30820 1 1265 . 1 . 1 108 108 LEU C C 13 179.0380 0.0000 . 1 . . . . A 108 LEU C . 30820 1 1266 . 1 . 1 108 108 LEU CA C 13 57.4260 0.0000 . 1 . . . . A 108 LEU CA . 30820 1 1267 . 1 . 1 108 108 LEU CB C 13 42.1370 0.0000 . 1 . . . . A 108 LEU CB . 30820 1 1268 . 1 . 1 108 108 LEU CG C 13 27.2500 0.0000 . 1 . . . . A 108 LEU CG . 30820 1 1269 . 1 . 1 108 108 LEU CD1 C 13 23.8550 0.0000 . 2 . . . . A 108 LEU CD1 . 30820 1 1270 . 1 . 1 108 108 LEU CD2 C 13 25.3510 0.0000 . 2 . . . . A 108 LEU CD2 . 30820 1 1271 . 1 . 1 108 108 LEU N N 15 119.7580 0.0000 . 1 . . . . A 108 LEU N . 30820 1 1272 . 1 . 1 109 109 ILE H H 1 7.7580 0.0000 . 1 . . . . A 109 ILE H . 30820 1 1273 . 1 . 1 109 109 ILE HA H 1 3.6370 0.0000 . 1 . . . . A 109 ILE HA . 30820 1 1274 . 1 . 1 109 109 ILE HB H 1 1.3650 0.0000 . 1 . . . . A 109 ILE HB . 30820 1 1275 . 1 . 1 109 109 ILE HG12 H 1 0.6770 0.0000 . 2 . . . . A 109 ILE HG12 . 30820 1 1276 . 1 . 1 109 109 ILE HG13 H 1 0.8000 0.0000 . 2 . . . . A 109 ILE HG13 . 30820 1 1277 . 1 . 1 109 109 ILE HG21 H 1 0.4290 0.0000 . 1 . . . . A 109 ILE HG21 . 30820 1 1278 . 1 . 1 109 109 ILE HG22 H 1 0.4290 0.0000 . 1 . . . . A 109 ILE HG22 . 30820 1 1279 . 1 . 1 109 109 ILE HG23 H 1 0.4290 0.0000 . 1 . . . . A 109 ILE HG23 . 30820 1 1280 . 1 . 1 109 109 ILE HD11 H 1 0.1540 0.0000 . 1 . . . . A 109 ILE HD11 . 30820 1 1281 . 1 . 1 109 109 ILE HD12 H 1 0.1540 0.0000 . 1 . . . . A 109 ILE HD12 . 30820 1 1282 . 1 . 1 109 109 ILE HD13 H 1 0.1540 0.0000 . 1 . . . . A 109 ILE HD13 . 30820 1 1283 . 1 . 1 109 109 ILE C C 13 177.6810 0.0000 . 1 . . . . A 109 ILE C . 30820 1 1284 . 1 . 1 109 109 ILE CA C 13 63.7280 0.0000 . 1 . . . . A 109 ILE CA . 30820 1 1285 . 1 . 1 109 109 ILE CB C 13 37.7190 0.0000 . 1 . . . . A 109 ILE CB . 30820 1 1286 . 1 . 1 109 109 ILE CG1 C 13 29.3890 0.0000 . 1 . . . . A 109 ILE CG1 . 30820 1 1287 . 1 . 1 109 109 ILE CG2 C 13 18.9030 0.0000 . 1 . . . . A 109 ILE CG2 . 30820 1 1288 . 1 . 1 109 109 ILE CD1 C 13 14.8460 0.0000 . 1 . . . . A 109 ILE CD1 . 30820 1 1289 . 1 . 1 109 109 ILE N N 15 121.3250 0.0000 . 1 . . . . A 109 ILE N . 30820 1 1290 . 1 . 1 110 110 LEU H H 1 7.8280 0.0000 . 1 . . . . A 110 LEU H . 30820 1 1291 . 1 . 1 110 110 LEU HA H 1 3.7870 0.0000 . 1 . . . . A 110 LEU HA . 30820 1 1292 . 1 . 1 110 110 LEU HB2 H 1 1.3240 0.0000 . 2 . . . . A 110 LEU HB2 . 30820 1 1293 . 1 . 1 110 110 LEU HB3 H 1 1.4550 0.0000 . 2 . . . . A 110 LEU HB3 . 30820 1 1294 . 1 . 1 110 110 LEU HG H 1 1.3260 0.0000 . 1 . . . . A 110 LEU HG . 30820 1 1295 . 1 . 1 110 110 LEU HD11 H 1 0.4680 0.0000 . 2 . . . . A 110 LEU HD11 . 30820 1 1296 . 1 . 1 110 110 LEU HD12 H 1 0.4680 0.0000 . 2 . . . . A 110 LEU HD12 . 30820 1 1297 . 1 . 1 110 110 LEU HD13 H 1 0.4680 0.0000 . 2 . . . . A 110 LEU HD13 . 30820 1 1298 . 1 . 1 110 110 LEU HD21 H 1 0.4650 0.0000 . 2 . . . . A 110 LEU HD21 . 30820 1 1299 . 1 . 1 110 110 LEU HD22 H 1 0.4650 0.0000 . 2 . . . . A 110 LEU HD22 . 30820 1 1300 . 1 . 1 110 110 LEU HD23 H 1 0.4650 0.0000 . 2 . . . . A 110 LEU HD23 . 30820 1 1301 . 1 . 1 110 110 LEU CA C 13 56.5340 0.0000 . 1 . . . . A 110 LEU CA . 30820 1 1302 . 1 . 1 110 110 LEU CB C 13 40.1650 0.0000 . 1 . . . . A 110 LEU CB . 30820 1 1303 . 1 . 1 110 110 LEU CG C 13 27.3950 0.0000 . 1 . . . . A 110 LEU CG . 30820 1 1304 . 1 . 1 110 110 LEU CD1 C 13 24.5450 0.0000 . 2 . . . . A 110 LEU CD1 . 30820 1 1305 . 1 . 1 110 110 LEU CD2 C 13 22.6550 0.0000 . 2 . . . . A 110 LEU CD2 . 30820 1 1306 . 1 . 1 110 110 LEU N N 15 118.0990 0.0000 . 1 . . . . A 110 LEU N . 30820 1 1307 . 1 . 1 111 111 LYS H H 1 7.1130 0.0000 . 1 . . . . A 111 LYS H . 30820 1 1308 . 1 . 1 111 111 LYS HA H 1 4.2120 0.0000 . 1 . . . . A 111 LYS HA . 30820 1 1309 . 1 . 1 111 111 LYS HB2 H 1 1.8040 0.0000 . 2 . . . . A 111 LYS HB2 . 30820 1 1310 . 1 . 1 111 111 LYS HB3 H 1 1.8780 0.0000 . 2 . . . . A 111 LYS HB3 . 30820 1 1311 . 1 . 1 111 111 LYS HG2 H 1 1.4900 0.0000 . 2 . . . . A 111 LYS HG2 . 30820 1 1312 . 1 . 1 111 111 LYS HG3 H 1 1.4900 0.0000 . 2 . . . . A 111 LYS HG3 . 30820 1 1313 . 1 . 1 111 111 LYS HD2 H 1 1.7020 0.0000 . 2 . . . . A 111 LYS HD2 . 30820 1 1314 . 1 . 1 111 111 LYS HD3 H 1 1.6610 0.0000 . 2 . . . . A 111 LYS HD3 . 30820 1 1315 . 1 . 1 111 111 LYS HE2 H 1 2.9990 0.0000 . 2 . . . . A 111 LYS HE2 . 30820 1 1316 . 1 . 1 111 111 LYS HE3 H 1 2.9990 0.0000 . 2 . . . . A 111 LYS HE3 . 30820 1 1317 . 1 . 1 111 111 LYS C C 13 177.6300 0.0000 . 1 . . . . A 111 LYS C . 30820 1 1318 . 1 . 1 111 111 LYS CA C 13 58.2810 0.0000 . 1 . . . . A 111 LYS CA . 30820 1 1319 . 1 . 1 111 111 LYS CB C 13 33.3360 0.0000 . 1 . . . . A 111 LYS CB . 30820 1 1320 . 1 . 1 111 111 LYS CG C 13 24.3980 0.0000 . 1 . . . . A 111 LYS CG . 30820 1 1321 . 1 . 1 111 111 LYS CD C 13 29.0590 0.0000 . 1 . . . . A 111 LYS CD . 30820 1 1322 . 1 . 1 111 111 LYS CE C 13 41.5640 0.0000 . 1 . . . . A 111 LYS CE . 30820 1 1323 . 1 . 1 111 111 LYS N N 15 115.2530 0.0000 . 1 . . . . A 111 LYS N . 30820 1 1324 . 1 . 1 112 112 ASP H H 1 8.3050 0.0000 . 1 . . . . A 112 ASP H . 30820 1 1325 . 1 . 1 112 112 ASP HA H 1 4.8840 0.0000 . 1 . . . . A 112 ASP HA . 30820 1 1326 . 1 . 1 112 112 ASP HB2 H 1 2.8230 0.0000 . 2 . . . . A 112 ASP HB2 . 30820 1 1327 . 1 . 1 112 112 ASP HB3 H 1 2.8230 0.0000 . 2 . . . . A 112 ASP HB3 . 30820 1 1328 . 1 . 1 112 112 ASP C C 13 177.3060 0.0000 . 1 . . . . A 112 ASP C . 30820 1 1329 . 1 . 1 112 112 ASP CA C 13 55.5530 0.0000 . 1 . . . . A 112 ASP CA . 30820 1 1330 . 1 . 1 112 112 ASP CB C 13 43.0710 0.0000 . 1 . . . . A 112 ASP CB . 30820 1 1331 . 1 . 1 112 112 ASP N N 15 117.0320 0.0000 . 1 . . . . A 112 ASP N . 30820 1 1332 . 1 . 1 113 113 GLY H H 1 8.8990 0.0000 . 1 . . . . A 113 GLY H . 30820 1 1333 . 1 . 1 113 113 GLY HA2 H 1 3.4240 0.0000 . 2 . . . . A 113 GLY HA2 . 30820 1 1334 . 1 . 1 113 113 GLY CA C 13 44.2080 0.0000 . 1 . . . . A 113 GLY CA . 30820 1 1335 . 1 . 1 113 113 GLY N N 15 111.6890 0.0000 . 1 . . . . A 113 GLY N . 30820 1 1336 . 1 . 1 114 114 ILE H H 1 8.4420 0.0000 . 1 . . . . A 114 ILE H . 30820 1 1337 . 1 . 1 114 114 ILE HA H 1 4.1100 0.0000 . 1 . . . . A 114 ILE HA . 30820 1 1338 . 1 . 1 114 114 ILE HG12 H 1 1.1740 0.0000 . 2 . . . . A 114 ILE HG12 . 30820 1 1339 . 1 . 1 114 114 ILE HG13 H 1 1.4880 0.0000 . 2 . . . . A 114 ILE HG13 . 30820 1 1340 . 1 . 1 114 114 ILE HG21 H 1 0.8860 0.0000 . 1 . . . . A 114 ILE HG21 . 30820 1 1341 . 1 . 1 114 114 ILE HG22 H 1 0.8860 0.0000 . 1 . . . . A 114 ILE HG22 . 30820 1 1342 . 1 . 1 114 114 ILE HG23 H 1 0.8860 0.0000 . 1 . . . . A 114 ILE HG23 . 30820 1 1343 . 1 . 1 114 114 ILE HD11 H 1 0.3390 0.0000 . 1 . . . . A 114 ILE HD11 . 30820 1 1344 . 1 . 1 114 114 ILE HD12 H 1 0.3390 0.0000 . 1 . . . . A 114 ILE HD12 . 30820 1 1345 . 1 . 1 114 114 ILE HD13 H 1 0.3390 0.0000 . 1 . . . . A 114 ILE HD13 . 30820 1 1346 . 1 . 1 114 114 ILE C C 13 176.7190 0.0000 . 1 . . . . A 114 ILE C . 30820 1 1347 . 1 . 1 114 114 ILE CA C 13 61.2490 0.0000 . 1 . . . . A 114 ILE CA . 30820 1 1348 . 1 . 1 114 114 ILE CB C 13 37.3200 0.0000 . 1 . . . . A 114 ILE CB . 30820 1 1349 . 1 . 1 114 114 ILE CG1 C 13 27.5000 0.0000 . 1 . . . . A 114 ILE CG1 . 30820 1 1350 . 1 . 1 114 114 ILE CG2 C 13 17.4590 0.0000 . 1 . . . . A 114 ILE CG2 . 30820 1 1351 . 1 . 1 114 114 ILE CD1 C 13 13.5590 0.0000 . 1 . . . . A 114 ILE CD1 . 30820 1 1352 . 1 . 1 114 114 ILE N N 15 116.6080 0.0000 . 1 . . . . A 114 ILE N . 30820 1 1353 . 1 . 1 115 115 LYS H H 1 7.9650 0.0000 . 1 . . . . A 115 LYS H . 30820 1 1354 . 1 . 1 115 115 LYS N N 15 127.5900 0.0000 . 1 . . . . A 115 LYS N . 30820 1 1355 . 1 . 1 116 116 LYS H H 1 9.1090 0.0000 . 1 . . . . A 116 LYS H . 30820 1 1356 . 1 . 1 116 116 LYS N N 15 119.7730 0.0000 . 1 . . . . A 116 LYS N . 30820 1 1357 . 1 . 1 117 117 MET HA H 1 4.1710 0.0000 . 1 . . . . A 117 MET HA . 30820 1 1358 . 1 . 1 117 117 MET HB2 H 1 2.2940 0.0000 . 2 . . . . A 117 MET HB2 . 30820 1 1359 . 1 . 1 117 117 MET HB3 H 1 2.4150 0.0000 . 2 . . . . A 117 MET HB3 . 30820 1 1360 . 1 . 1 117 117 MET HG2 H 1 1.7760 0.0000 . 2 . . . . A 117 MET HG2 . 30820 1 1361 . 1 . 1 117 117 MET HG3 H 1 1.9120 0.0000 . 2 . . . . A 117 MET HG3 . 30820 1 1362 . 1 . 1 117 117 MET HE1 H 1 1.4330 0.0000 . 1 . . . . A 117 MET HE1 . 30820 1 1363 . 1 . 1 117 117 MET HE2 H 1 1.4330 0.0000 . 1 . . . . A 117 MET HE2 . 30820 1 1364 . 1 . 1 117 117 MET HE3 H 1 1.4330 0.0000 . 1 . . . . A 117 MET HE3 . 30820 1 1365 . 1 . 1 117 117 MET CE C 13 15.4490 0.0000 . 1 . . . . A 117 MET CE . 30820 1 1366 . 1 . 1 118 118 SER H H 1 8.4870 0.0000 . 1 . . . . A 118 SER H . 30820 1 1367 . 1 . 1 118 118 SER N N 15 118.2810 0.0000 . 1 . . . . A 118 SER N . 30820 1 1368 . 1 . 1 122 122 VAL H H 1 9.1020 0.0000 . 1 . . . . A 122 VAL H . 30820 1 1369 . 1 . 1 122 122 VAL HG11 H 1 0.6810 0.0000 . 2 . . . . A 122 VAL HG11 . 30820 1 1370 . 1 . 1 122 122 VAL HG12 H 1 0.6810 0.0000 . 2 . . . . A 122 VAL HG12 . 30820 1 1371 . 1 . 1 122 122 VAL HG13 H 1 0.6810 0.0000 . 2 . . . . A 122 VAL HG13 . 30820 1 1372 . 1 . 1 122 122 VAL HG21 H 1 0.5750 0.0000 . 2 . . . . A 122 VAL HG21 . 30820 1 1373 . 1 . 1 122 122 VAL HG22 H 1 0.5750 0.0000 . 2 . . . . A 122 VAL HG22 . 30820 1 1374 . 1 . 1 122 122 VAL HG23 H 1 0.5750 0.0000 . 2 . . . . A 122 VAL HG23 . 30820 1 1375 . 1 . 1 122 122 VAL CG1 C 13 21.4040 0.0000 . 2 . . . . A 122 VAL CG1 . 30820 1 1376 . 1 . 1 122 122 VAL CG2 C 13 22.0260 0.0000 . 2 . . . . A 122 VAL CG2 . 30820 1 1377 . 1 . 1 122 122 VAL N N 15 119.7730 0.0000 . 1 . . . . A 122 VAL N . 30820 1 1378 . 1 . 1 123 123 HIS HA H 1 4.8660 0.0000 . 1 . . . . A 123 HIS HA . 30820 1 1379 . 1 . 1 123 123 HIS HE1 H 1 7.9560 0.0000 . 1 . . . . A 123 HIS HD2 . 30820 1 1380 . 1 . 1 123 123 HIS CE1 C 13 137.9800 0.0000 . 1 . . . . A 123 HIS CD2 . 30820 1 1381 . 1 . 1 124 124 LEU H H 1 8.8260 0.0000 . 1 . . . . A 124 LEU H . 30820 1 1382 . 1 . 1 124 124 LEU HD11 H 1 0.8380 0.0000 . 2 . . . . A 124 LEU HD11 . 30820 1 1383 . 1 . 1 124 124 LEU HD12 H 1 0.8380 0.0000 . 2 . . . . A 124 LEU HD12 . 30820 1 1384 . 1 . 1 124 124 LEU HD13 H 1 0.8380 0.0000 . 2 . . . . A 124 LEU HD13 . 30820 1 1385 . 1 . 1 124 124 LEU HD21 H 1 0.7680 0.0000 . 2 . . . . A 124 LEU HD21 . 30820 1 1386 . 1 . 1 124 124 LEU HD22 H 1 0.7680 0.0000 . 2 . . . . A 124 LEU HD22 . 30820 1 1387 . 1 . 1 124 124 LEU HD23 H 1 0.7680 0.0000 . 2 . . . . A 124 LEU HD23 . 30820 1 1388 . 1 . 1 124 124 LEU CA C 13 53.1800 0.0000 . 1 . . . . A 124 LEU CA . 30820 1 1389 . 1 . 1 124 124 LEU CD1 C 13 26.2610 0.0000 . 2 . . . . A 124 LEU CD1 . 30820 1 1390 . 1 . 1 124 124 LEU CD2 C 13 27.2770 0.0000 . 2 . . . . A 124 LEU CD2 . 30820 1 1391 . 1 . 1 125 125 SER C C 13 174.5930 0.0000 . 1 . . . . A 125 SER C . 30820 1 1392 . 1 . 1 126 126 GLN H H 1 9.6130 0.0000 . 1 . . . . A 126 GLN H . 30820 1 1393 . 1 . 1 126 126 GLN HB2 H 1 2.4190 0.0000 . 2 . . . . A 126 GLN HB2 . 30820 1 1394 . 1 . 1 126 126 GLN HG2 H 1 2.6980 0.0000 . 2 . . . . A 126 GLN HG2 . 30820 1 1395 . 1 . 1 126 126 GLN HE21 H 1 7.1610 0.0000 . 2 . . . . A 126 GLN HE21 . 30820 1 1396 . 1 . 1 126 126 GLN HE22 H 1 7.9370 0.0000 . 2 . . . . A 126 GLN HE22 . 30820 1 1397 . 1 . 1 126 126 GLN CA C 13 56.4830 0.0000 . 1 . . . . A 126 GLN CA . 30820 1 1398 . 1 . 1 126 126 GLN CG C 13 32.8500 0.0000 . 1 . . . . A 126 GLN CG . 30820 1 1399 . 1 . 1 126 126 GLN N N 15 122.9560 0.0000 . 1 . . . . A 126 GLN N . 30820 1 1400 . 1 . 1 126 126 GLN NE2 N 15 112.7840 0.0000 . 1 . . . . A 126 GLN NE2 . 30820 1 1401 . 1 . 1 127 127 ASP H H 1 8.6080 0.0000 . 1 . . . . A 127 ASP H . 30820 1 1402 . 1 . 1 128 128 ILE H H 1 8.4350 0.0000 . 1 . . . . A 128 ILE H . 30820 1 1403 . 1 . 1 128 128 ILE HA H 1 3.0190 0.0000 . 1 . . . . A 128 ILE HA . 30820 1 1404 . 1 . 1 128 128 ILE HB H 1 0.8900 0.0000 . 1 . . . . A 128 ILE HB . 30820 1 1405 . 1 . 1 128 128 ILE HG12 H 1 0.3930 0.0000 . 2 . . . . A 128 ILE HG12 . 30820 1 1406 . 1 . 1 128 128 ILE HG13 H 1 0.5930 0.0000 . 2 . . . . A 128 ILE HG13 . 30820 1 1407 . 1 . 1 128 128 ILE HG21 H 1 0.6120 0.0000 . 1 . . . . A 128 ILE HG21 . 30820 1 1408 . 1 . 1 128 128 ILE HG22 H 1 0.6120 0.0000 . 1 . . . . A 128 ILE HG22 . 30820 1 1409 . 1 . 1 128 128 ILE HG23 H 1 0.6120 0.0000 . 1 . . . . A 128 ILE HG23 . 30820 1 1410 . 1 . 1 128 128 ILE HD11 H 1 0.5320 0.0000 . 1 . . . . A 128 ILE HD11 . 30820 1 1411 . 1 . 1 128 128 ILE HD12 H 1 0.5320 0.0000 . 1 . . . . A 128 ILE HD12 . 30820 1 1412 . 1 . 1 128 128 ILE HD13 H 1 0.5320 0.0000 . 1 . . . . A 128 ILE HD13 . 30820 1 1413 . 1 . 1 128 128 ILE C C 13 176.3920 0.0000 . 1 . . . . A 128 ILE C . 30820 1 1414 . 1 . 1 128 128 ILE CA C 13 65.3050 0.0000 . 1 . . . . A 128 ILE CA . 30820 1 1415 . 1 . 1 128 128 ILE CB C 13 37.8880 0.0000 . 1 . . . . A 128 ILE CB . 30820 1 1416 . 1 . 1 128 128 ILE CG1 C 13 29.0630 0.0000 . 1 . . . . A 128 ILE CG1 . 30820 1 1417 . 1 . 1 128 128 ILE CG2 C 13 16.3900 0.0000 . 1 . . . . A 128 ILE CG2 . 30820 1 1418 . 1 . 1 128 128 ILE CD1 C 13 13.5120 0.0000 . 1 . . . . A 128 ILE CD1 . 30820 1 1419 . 1 . 1 128 128 ILE N N 15 122.1330 0.0000 . 1 . . . . A 128 ILE N . 30820 1 1420 . 1 . 1 129 129 THR H H 1 7.8840 0.0000 . 1 . . . . A 129 THR H . 30820 1 1421 . 1 . 1 129 129 THR HA H 1 3.7490 0.0000 . 1 . . . . A 129 THR HA . 30820 1 1422 . 1 . 1 129 129 THR HB H 1 4.2140 0.0000 . 1 . . . . A 129 THR HB . 30820 1 1423 . 1 . 1 129 129 THR HG21 H 1 1.1990 0.0000 . 1 . . . . A 129 THR HG21 . 30820 1 1424 . 1 . 1 129 129 THR HG22 H 1 1.1990 0.0000 . 1 . . . . A 129 THR HG22 . 30820 1 1425 . 1 . 1 129 129 THR HG23 H 1 1.1990 0.0000 . 1 . . . . A 129 THR HG23 . 30820 1 1426 . 1 . 1 129 129 THR CA C 13 66.3040 0.0000 . 1 . . . . A 129 THR CA . 30820 1 1427 . 1 . 1 129 129 THR CB C 13 67.8240 0.0000 . 1 . . . . A 129 THR CB . 30820 1 1428 . 1 . 1 129 129 THR CG2 C 13 21.8540 0.0000 . 1 . . . . A 129 THR CG2 . 30820 1 1429 . 1 . 1 129 129 THR N N 15 116.9970 0.0000 . 1 . . . . A 129 THR N . 30820 1 1430 . 1 . 1 130 130 THR H H 1 7.9200 0.0000 . 1 . . . . A 130 THR H . 30820 1 1431 . 1 . 1 130 130 THR C C 13 175.6790 0.0000 . 1 . . . . A 130 THR C . 30820 1 1432 . 1 . 1 130 130 THR CA C 13 66.7460 0.0000 . 1 . . . . A 130 THR CA . 30820 1 1433 . 1 . 1 130 130 THR N N 15 119.6590 0.0000 . 1 . . . . A 130 THR N . 30820 1 1434 . 1 . 1 131 131 ALA H H 1 7.0590 0.0000 . 1 . . . . A 131 ALA H . 30820 1 1435 . 1 . 1 131 131 ALA HA H 1 3.8680 0.0000 . 1 . . . . A 131 ALA HA . 30820 1 1436 . 1 . 1 131 131 ALA HB1 H 1 1.4500 0.0000 . 1 . . . . A 131 ALA HB1 . 30820 1 1437 . 1 . 1 131 131 ALA HB2 H 1 1.4500 0.0000 . 1 . . . . A 131 ALA HB2 . 30820 1 1438 . 1 . 1 131 131 ALA HB3 H 1 1.4500 0.0000 . 1 . . . . A 131 ALA HB3 . 30820 1 1439 . 1 . 1 131 131 ALA C C 13 178.8690 0.0000 . 1 . . . . A 131 ALA C . 30820 1 1440 . 1 . 1 131 131 ALA CA C 13 54.8960 0.0000 . 1 . . . . A 131 ALA CA . 30820 1 1441 . 1 . 1 131 131 ALA CB C 13 19.0950 0.0000 . 1 . . . . A 131 ALA CB . 30820 1 1442 . 1 . 1 131 131 ALA N N 15 122.2000 0.0000 . 1 . . . . A 131 ALA N . 30820 1 1443 . 1 . 1 132 132 ARG H H 1 8.4540 0.0000 . 1 . . . . A 132 ARG H . 30820 1 1444 . 1 . 1 132 132 ARG HA H 1 3.5020 0.0000 . 1 . . . . A 132 ARG HA . 30820 1 1445 . 1 . 1 132 132 ARG HB2 H 1 1.7550 0.0000 . 2 . . . . A 132 ARG HB2 . 30820 1 1446 . 1 . 1 132 132 ARG HG2 H 1 1.4600 0.0000 . 2 . . . . A 132 ARG HG2 . 30820 1 1447 . 1 . 1 132 132 ARG HD2 H 1 3.1720 0.0000 . 2 . . . . A 132 ARG HD2 . 30820 1 1448 . 1 . 1 132 132 ARG C C 13 177.4520 0.0000 . 1 . . . . A 132 ARG C . 30820 1 1449 . 1 . 1 132 132 ARG CA C 13 60.3670 0.0000 . 1 . . . . A 132 ARG CA . 30820 1 1450 . 1 . 1 132 132 ARG CB C 13 29.6390 0.0000 . 1 . . . . A 132 ARG CB . 30820 1 1451 . 1 . 1 132 132 ARG CG C 13 28.5290 0.0000 . 1 . . . . A 132 ARG CG . 30820 1 1452 . 1 . 1 132 132 ARG CD C 13 42.9390 0.0000 . 1 . . . . A 132 ARG CD . 30820 1 1453 . 1 . 1 132 132 ARG N N 15 119.2080 0.0000 . 1 . . . . A 132 ARG N . 30820 1 1454 . 1 . 1 133 133 LYS H H 1 7.7610 0.0000 . 1 . . . . A 133 LYS H . 30820 1 1455 . 1 . 1 133 133 LYS HA H 1 3.9710 0.0000 . 1 . . . . A 133 LYS HA . 30820 1 1456 . 1 . 1 133 133 LYS HB2 H 1 1.8690 0.0000 . 2 . . . . A 133 LYS HB2 . 30820 1 1457 . 1 . 1 133 133 LYS HB3 H 1 2.0110 0.0000 . 2 . . . . A 133 LYS HB3 . 30820 1 1458 . 1 . 1 133 133 LYS HG2 H 1 1.6140 0.0000 . 2 . . . . A 133 LYS HG2 . 30820 1 1459 . 1 . 1 133 133 LYS HG3 H 1 1.4500 0.0000 . 2 . . . . A 133 LYS HG3 . 30820 1 1460 . 1 . 1 133 133 LYS HD2 H 1 1.7330 0.0000 . 2 . . . . A 133 LYS HD2 . 30820 1 1461 . 1 . 1 133 133 LYS HD3 H 1 1.6370 0.0000 . 2 . . . . A 133 LYS HD3 . 30820 1 1462 . 1 . 1 133 133 LYS HE2 H 1 2.9760 0.0000 . 2 . . . . A 133 LYS HE2 . 30820 1 1463 . 1 . 1 133 133 LYS C C 13 179.6330 0.0000 . 1 . . . . A 133 LYS C . 30820 1 1464 . 1 . 1 133 133 LYS CA C 13 59.4550 0.0000 . 1 . . . . A 133 LYS CA . 30820 1 1465 . 1 . 1 133 133 LYS CB C 13 32.0480 0.0000 . 1 . . . . A 133 LYS CB . 30820 1 1466 . 1 . 1 133 133 LYS CG C 13 25.4690 0.0000 . 1 . . . . A 133 LYS CG . 30820 1 1467 . 1 . 1 133 133 LYS CD C 13 29.1390 0.0000 . 1 . . . . A 133 LYS CD . 30820 1 1468 . 1 . 1 133 133 LYS CE C 13 41.7290 0.0000 . 1 . . . . A 133 LYS CE . 30820 1 1469 . 1 . 1 133 133 LYS N N 15 117.4490 0.0000 . 1 . . . . A 133 LYS N . 30820 1 1470 . 1 . 1 134 134 VAL H H 1 7.6900 0.0000 . 1 . . . . A 134 VAL H . 30820 1 1471 . 1 . 1 134 134 VAL HG11 H 1 0.9676 0.0000 . 2 . . . . A 134 VAL HG11 . 30820 1 1472 . 1 . 1 134 134 VAL HG12 H 1 0.9676 0.0000 . 2 . . . . A 134 VAL HG12 . 30820 1 1473 . 1 . 1 134 134 VAL HG13 H 1 0.9676 0.0000 . 2 . . . . A 134 VAL HG13 . 30820 1 1474 . 1 . 1 134 134 VAL HG21 H 1 0.3866 0.0000 . 2 . . . . A 134 VAL HG21 . 30820 1 1475 . 1 . 1 134 134 VAL HG22 H 1 0.3866 0.0000 . 2 . . . . A 134 VAL HG22 . 30820 1 1476 . 1 . 1 134 134 VAL HG23 H 1 0.3866 0.0000 . 2 . . . . A 134 VAL HG23 . 30820 1 1477 . 1 . 1 134 134 VAL C C 13 179.1650 0.0000 . 1 . . . . A 134 VAL C . 30820 1 1478 . 1 . 1 134 134 VAL CA C 13 65.9600 0.0000 . 1 . . . . A 134 VAL CA . 30820 1 1479 . 1 . 1 134 134 VAL CG1 C 13 22.4492 0.0000 . 2 . . . . A 134 VAL CG1 . 30820 1 1480 . 1 . 1 134 134 VAL N N 15 118.6060 0.0000 . 1 . . . . A 134 VAL N . 30820 1 1481 . 1 . 1 135 135 GLY H H 1 8.0200 0.0000 . 1 . . . . A 135 GLY H . 30820 1 1482 . 1 . 1 135 135 GLY HA2 H 1 3.7290 0.0000 . 2 . . . . A 135 GLY HA2 . 30820 1 1483 . 1 . 1 135 135 GLY CA C 13 47.5990 0.0000 . 1 . . . . A 135 GLY CA . 30820 1 1484 . 1 . 1 135 135 GLY N N 15 106.8750 0.0000 . 1 . . . . A 135 GLY N . 30820 1 1485 . 1 . 1 136 136 MET H H 1 7.7770 0.0000 . 1 . . . . A 136 MET H . 30820 1 1486 . 1 . 1 136 136 MET HA H 1 4.6260 0.0000 . 1 . . . . A 136 MET HA . 30820 1 1487 . 1 . 1 136 136 MET HB2 H 1 2.1880 0.0000 . 2 . . . . A 136 MET HB2 . 30820 1 1488 . 1 . 1 136 136 MET HG2 H 1 2.7180 0.0000 . 2 . . . . A 136 MET HG2 . 30820 1 1489 . 1 . 1 136 136 MET HE1 H 1 2.1460 0.0000 . 1 . . . . A 136 MET HE1 . 30820 1 1490 . 1 . 1 136 136 MET HE2 H 1 2.1460 0.0000 . 1 . . . . A 136 MET HE2 . 30820 1 1491 . 1 . 1 136 136 MET HE3 H 1 2.1460 0.0000 . 1 . . . . A 136 MET HE3 . 30820 1 1492 . 1 . 1 136 136 MET C C 13 177.5550 0.0000 . 1 . . . . A 136 MET C . 30820 1 1493 . 1 . 1 136 136 MET CA C 13 57.2340 0.0000 . 1 . . . . A 136 MET CA . 30820 1 1494 . 1 . 1 136 136 MET CB C 13 33.0210 0.0000 . 1 . . . . A 136 MET CB . 30820 1 1495 . 1 . 1 136 136 MET CG C 13 31.9790 0.0000 . 1 . . . . A 136 MET CG . 30820 1 1496 . 1 . 1 136 136 MET CE C 13 16.6190 0.0000 . 1 . . . . A 136 MET CE . 30820 1 1497 . 1 . 1 136 136 MET N N 15 116.7180 0.0000 . 1 . . . . A 136 MET N . 30820 1 1498 . 1 . 1 137 137 ARG H H 1 7.5160 0.0000 . 1 . . . . A 137 ARG H . 30820 1 1499 . 1 . 1 137 137 ARG HA H 1 4.0700 0.0000 . 1 . . . . A 137 ARG HA . 30820 1 1500 . 1 . 1 137 137 ARG HB2 H 1 1.6490 0.0000 . 2 . . . . A 137 ARG HB2 . 30820 1 1501 . 1 . 1 137 137 ARG HG2 H 1 1.6770 0.0000 . 2 . . . . A 137 ARG HG2 . 30820 1 1502 . 1 . 1 137 137 ARG HG3 H 1 1.5150 0.0000 . 2 . . . . A 137 ARG HG3 . 30820 1 1503 . 1 . 1 137 137 ARG HD2 H 1 2.9560 0.0000 . 2 . . . . A 137 ARG HD2 . 30820 1 1504 . 1 . 1 137 137 ARG C C 13 177.3780 0.0000 . 1 . . . . A 137 ARG C . 30820 1 1505 . 1 . 1 137 137 ARG CA C 13 58.2250 0.0000 . 1 . . . . A 137 ARG CA . 30820 1 1506 . 1 . 1 137 137 ARG CB C 13 29.0490 0.0000 . 1 . . . . A 137 ARG CB . 30820 1 1507 . 1 . 1 137 137 ARG CG C 13 27.0040 0.0000 . 1 . . . . A 137 ARG CG . 30820 1 1508 . 1 . 1 137 137 ARG CD C 13 41.6590 0.0000 . 1 . . . . A 137 ARG CD . 30820 1 1509 . 1 . 1 137 137 ARG N N 15 118.0460 0.0000 . 1 . . . . A 137 ARG N . 30820 1 1510 . 1 . 1 138 138 HIS H H 1 7.8170 0.0000 . 1 . . . . A 138 HIS H . 30820 1 1511 . 1 . 1 138 138 HIS HA H 1 4.7410 0.0000 . 1 . . . . A 138 HIS HA . 30820 1 1512 . 1 . 1 138 138 HIS HB2 H 1 2.9990 0.0000 . 2 . . . . A 138 HIS HB2 . 30820 1 1513 . 1 . 1 138 138 HIS HB3 H 1 3.0290 0.0000 . 2 . . . . A 138 HIS HB3 . 30820 1 1514 . 1 . 1 138 138 HIS HD2 H 1 7.0860 0.0000 . 1 . . . . A 138 HIS HD2 . 30820 1 1515 . 1 . 1 138 138 HIS CA C 13 55.8240 0.0000 . 1 . . . . A 138 HIS CA . 30820 1 1516 . 1 . 1 138 138 HIS CB C 13 32.2930 0.0000 . 1 . . . . A 138 HIS CB . 30820 1 1517 . 1 . 1 138 138 HIS N N 15 115.2820 0.0000 . 1 . . . . A 138 HIS N . 30820 1 1518 . 1 . 1 139 139 GLY H H 1 7.6760 0.0000 . 1 . . . . A 139 GLY H . 30820 1 1519 . 1 . 1 139 139 GLY HA2 H 1 4.4280 0.0000 . 2 . . . . A 139 GLY HA2 . 30820 1 1520 . 1 . 1 139 139 GLY HA3 H 1 3.7840 0.0000 . 2 . . . . A 139 GLY HA3 . 30820 1 1521 . 1 . 1 139 139 GLY C C 13 171.6550 0.0000 . 1 . . . . A 139 GLY C . 30820 1 1522 . 1 . 1 139 139 GLY CA C 13 45.4560 0.0000 . 1 . . . . A 139 GLY CA . 30820 1 1523 . 1 . 1 139 139 GLY N N 15 108.9140 0.0000 . 1 . . . . A 139 GLY N . 30820 1 1524 . 1 . 1 140 140 LYS H H 1 8.5090 0.0000 . 1 . . . . A 140 LYS H . 30820 1 1525 . 1 . 1 140 140 LYS HA H 1 4.5960 0.0000 . 1 . . . . A 140 LYS HA . 30820 1 1526 . 1 . 1 140 140 LYS HB2 H 1 1.8150 0.0000 . 2 . . . . A 140 LYS HB2 . 30820 1 1527 . 1 . 1 140 140 LYS HG2 H 1 1.5620 0.0000 . 2 . . . . A 140 LYS HG2 . 30820 1 1528 . 1 . 1 140 140 LYS HG3 H 1 1.3960 0.0000 . 2 . . . . A 140 LYS HG3 . 30820 1 1529 . 1 . 1 140 140 LYS HD2 H 1 1.7000 0.0000 . 2 . . . . A 140 LYS HD2 . 30820 1 1530 . 1 . 1 140 140 LYS HE2 H 1 2.9820 0.0000 . 2 . . . . A 140 LYS HE2 . 30820 1 1531 . 1 . 1 140 140 LYS C C 13 175.1820 0.0000 . 1 . . . . A 140 LYS C . 30820 1 1532 . 1 . 1 140 140 LYS CA C 13 54.0860 0.0000 . 1 . . . . A 140 LYS CA . 30820 1 1533 . 1 . 1 140 140 LYS CB C 13 32.1240 0.0000 . 1 . . . . A 140 LYS CB . 30820 1 1534 . 1 . 1 140 140 LYS CG C 13 24.9030 0.0000 . 1 . . . . A 140 LYS CG . 30820 1 1535 . 1 . 1 140 140 LYS CD C 13 29.3290 0.0000 . 1 . . . . A 140 LYS CD . 30820 1 1536 . 1 . 1 140 140 LYS CE C 13 41.7790 0.0000 . 1 . . . . A 140 LYS CE . 30820 1 1537 . 1 . 1 140 140 LYS N N 15 126.1650 0.0000 . 1 . . . . A 140 LYS N . 30820 1 1538 . 1 . 1 142 142 VAL H H 1 8.7590 0.0000 . 1 . . . . A 142 VAL H . 30820 1 1539 . 1 . 1 142 142 VAL HB H 1 1.7770 0.0000 . 1 . . . . A 142 VAL HB . 30820 1 1540 . 1 . 1 142 142 VAL HG11 H 1 0.7690 0.0000 . 2 . . . . A 142 VAL HG11 . 30820 1 1541 . 1 . 1 142 142 VAL HG12 H 1 0.7690 0.0000 . 2 . . . . A 142 VAL HG12 . 30820 1 1542 . 1 . 1 142 142 VAL HG13 H 1 0.7690 0.0000 . 2 . . . . A 142 VAL HG13 . 30820 1 1543 . 1 . 1 142 142 VAL HG21 H 1 0.6960 0.0000 . 2 . . . . A 142 VAL HG21 . 30820 1 1544 . 1 . 1 142 142 VAL HG22 H 1 0.6960 0.0000 . 2 . . . . A 142 VAL HG22 . 30820 1 1545 . 1 . 1 142 142 VAL HG23 H 1 0.6960 0.0000 . 2 . . . . A 142 VAL HG23 . 30820 1 1546 . 1 . 1 142 142 VAL CA C 13 61.1000 0.0000 . 1 . . . . A 142 VAL CA . 30820 1 1547 . 1 . 1 142 142 VAL CB C 13 35.1310 0.0000 . 1 . . . . A 142 VAL CB . 30820 1 1548 . 1 . 1 142 142 VAL CG1 C 13 21.3080 0.0000 . 2 . . . . A 142 VAL CG1 . 30820 1 1549 . 1 . 1 142 142 VAL CG2 C 13 20.9760 0.0000 . 2 . . . . A 142 VAL CG2 . 30820 1 1550 . 1 . 1 142 142 VAL N N 15 119.8920 0.0000 . 1 . . . . A 142 VAL N . 30820 1 1551 . 1 . 1 143 143 VAL H H 1 9.3110 0.0000 . 1 . . . . A 143 VAL H . 30820 1 1552 . 1 . 1 143 143 VAL HA H 1 4.0560 0.0000 . 1 . . . . A 143 VAL HA . 30820 1 1553 . 1 . 1 143 143 VAL HB H 1 2.0010 0.0000 . 1 . . . . A 143 VAL HB . 30820 1 1554 . 1 . 1 143 143 VAL HG11 H 1 0.7790 0.0000 . 2 . . . . A 143 VAL HG11 . 30820 1 1555 . 1 . 1 143 143 VAL HG12 H 1 0.7790 0.0000 . 2 . . . . A 143 VAL HG12 . 30820 1 1556 . 1 . 1 143 143 VAL HG13 H 1 0.7790 0.0000 . 2 . . . . A 143 VAL HG13 . 30820 1 1557 . 1 . 1 143 143 VAL HG21 H 1 0.8370 0.0000 . 2 . . . . A 143 VAL HG21 . 30820 1 1558 . 1 . 1 143 143 VAL HG22 H 1 0.8370 0.0000 . 2 . . . . A 143 VAL HG22 . 30820 1 1559 . 1 . 1 143 143 VAL HG23 H 1 0.8370 0.0000 . 2 . . . . A 143 VAL HG23 . 30820 1 1560 . 1 . 1 143 143 VAL C C 13 174.9800 0.0000 . 1 . . . . A 143 VAL C . 30820 1 1561 . 1 . 1 143 143 VAL CA C 13 61.8590 0.0000 . 1 . . . . A 143 VAL CA . 30820 1 1562 . 1 . 1 143 143 VAL CB C 13 32.6410 0.0000 . 1 . . . . A 143 VAL CB . 30820 1 1563 . 1 . 1 143 143 VAL CG1 C 13 21.1270 0.0000 . 2 . . . . A 143 VAL CG1 . 30820 1 1564 . 1 . 1 143 143 VAL CG2 C 13 22.4360 0.0000 . 2 . . . . A 143 VAL CG2 . 30820 1 1565 . 1 . 1 143 143 VAL N N 15 120.0180 0.0000 . 1 . . . . A 143 VAL N . 30820 1 1566 . 1 . 1 144 144 LEU H H 1 9.1460 0.0000 . 1 . . . . A 144 LEU H . 30820 1 1567 . 1 . 1 144 144 LEU HA H 1 4.8190 0.0000 . 1 . . . . A 144 LEU HA . 30820 1 1568 . 1 . 1 144 144 LEU HG H 1 1.8310 0.0000 . 1 . . . . A 144 LEU HG . 30820 1 1569 . 1 . 1 144 144 LEU HD11 H 1 0.9000 0.0000 . 2 . . . . A 144 LEU HD11 . 30820 1 1570 . 1 . 1 144 144 LEU HD12 H 1 0.9000 0.0000 . 2 . . . . A 144 LEU HD12 . 30820 1 1571 . 1 . 1 144 144 LEU HD13 H 1 0.9000 0.0000 . 2 . . . . A 144 LEU HD13 . 30820 1 1572 . 1 . 1 144 144 LEU HD21 H 1 0.8670 0.0000 . 2 . . . . A 144 LEU HD21 . 30820 1 1573 . 1 . 1 144 144 LEU HD22 H 1 0.8670 0.0000 . 2 . . . . A 144 LEU HD22 . 30820 1 1574 . 1 . 1 144 144 LEU HD23 H 1 0.8670 0.0000 . 2 . . . . A 144 LEU HD23 . 30820 1 1575 . 1 . 1 144 144 LEU C C 13 176.2440 0.0000 . 1 . . . . A 144 LEU C . 30820 1 1576 . 1 . 1 144 144 LEU CA C 13 53.3130 0.0000 . 1 . . . . A 144 LEU CA . 30820 1 1577 . 1 . 1 144 144 LEU CB C 13 42.5980 0.0000 . 1 . . . . A 144 LEU CB . 30820 1 1578 . 1 . 1 144 144 LEU CG C 13 27.2290 0.0000 . 1 . . . . A 144 LEU CG . 30820 1 1579 . 1 . 1 144 144 LEU CD1 C 13 27.0340 0.0000 . 2 . . . . A 144 LEU CD1 . 30820 1 1580 . 1 . 1 144 144 LEU CD2 C 13 24.2850 0.0000 . 2 . . . . A 144 LEU CD2 . 30820 1 1581 . 1 . 1 144 144 LEU N N 15 128.9380 0.0000 . 1 . . . . A 144 LEU N . 30820 1 1582 . 1 . 1 145 145 SER H H 1 9.0850 0.0000 . 1 . . . . A 145 SER H . 30820 1 1583 . 1 . 1 145 145 SER HA H 1 4.5020 0.0000 . 1 . . . . A 145 SER HA . 30820 1 1584 . 1 . 1 145 145 SER HB2 H 1 3.9190 0.0000 . 2 . . . . A 145 SER HB2 . 30820 1 1585 . 1 . 1 145 145 SER C C 13 177.2360 0.0000 . 1 . . . . A 145 SER C . 30820 1 1586 . 1 . 1 145 145 SER CA C 13 58.0800 0.0000 . 1 . . . . A 145 SER CA . 30820 1 1587 . 1 . 1 145 145 SER CB C 13 64.0000 0.0000 . 1 . . . . A 145 SER CB . 30820 1 1588 . 1 . 1 145 145 SER N N 15 119.3810 0.0000 . 1 . . . . A 145 SER N . 30820 1 1589 . 1 . 1 146 146 VAL H H 1 9.1790 0.0000 . 1 . . . . A 146 VAL H . 30820 1 1590 . 1 . 1 146 146 VAL HA H 1 4.4290 0.0000 . 1 . . . . A 146 VAL HA . 30820 1 1591 . 1 . 1 146 146 VAL HG11 H 1 0.5950 0.0000 . 2 . . . . A 146 VAL HG11 . 30820 1 1592 . 1 . 1 146 146 VAL HG12 H 1 0.5950 0.0000 . 2 . . . . A 146 VAL HG12 . 30820 1 1593 . 1 . 1 146 146 VAL HG13 H 1 0.5950 0.0000 . 2 . . . . A 146 VAL HG13 . 30820 1 1594 . 1 . 1 146 146 VAL HG21 H 1 0.6720 0.0000 . 2 . . . . A 146 VAL HG21 . 30820 1 1595 . 1 . 1 146 146 VAL HG22 H 1 0.6720 0.0000 . 2 . . . . A 146 VAL HG22 . 30820 1 1596 . 1 . 1 146 146 VAL HG23 H 1 0.6720 0.0000 . 2 . . . . A 146 VAL HG23 . 30820 1 1597 . 1 . 1 146 146 VAL C C 13 175.7530 0.0000 . 1 . . . . A 146 VAL C . 30820 1 1598 . 1 . 1 146 146 VAL CA C 13 60.8060 0.0000 . 1 . . . . A 146 VAL CA . 30820 1 1599 . 1 . 1 146 146 VAL CB C 13 30.7080 0.0000 . 1 . . . . A 146 VAL CB . 30820 1 1600 . 1 . 1 146 146 VAL CG1 C 13 21.5690 0.0000 . 2 . . . . A 146 VAL CG1 . 30820 1 1601 . 1 . 1 146 146 VAL CG2 C 13 20.8690 0.0000 . 2 . . . . A 146 VAL CG2 . 30820 1 1602 . 1 . 1 146 146 VAL N N 15 124.4940 0.0000 . 1 . . . . A 146 VAL N . 30820 1 1603 . 1 . 1 147 147 ASP H H 1 8.9700 0.0000 . 1 . . . . A 147 ASP H . 30820 1 1604 . 1 . 1 147 147 ASP HA H 1 4.8120 0.0000 . 1 . . . . A 147 ASP HA . 30820 1 1605 . 1 . 1 147 147 ASP HB2 H 1 3.1840 0.0000 . 2 . . . . A 147 ASP HB2 . 30820 1 1606 . 1 . 1 147 147 ASP HB3 H 1 2.6410 0.0000 . 2 . . . . A 147 ASP HB3 . 30820 1 1607 . 1 . 1 147 147 ASP C C 13 173.9530 0.0000 . 1 . . . . A 147 ASP C . 30820 1 1608 . 1 . 1 147 147 ASP CA C 13 52.0950 0.0000 . 1 . . . . A 147 ASP CA . 30820 1 1609 . 1 . 1 147 147 ASP CB C 13 38.8170 0.0000 . 1 . . . . A 147 ASP CB . 30820 1 1610 . 1 . 1 147 147 ASP N N 15 125.7120 0.0000 . 1 . . . . A 147 ASP N . 30820 1 1611 . 1 . 1 148 148 ALA H H 1 7.9830 0.0000 . 1 . . . . A 148 ALA H . 30820 1 1612 . 1 . 1 148 148 ALA HA H 1 3.7290 0.0000 . 1 . . . . A 148 ALA HA . 30820 1 1613 . 1 . 1 148 148 ALA HB1 H 1 0.6670 0.0000 . 1 . . . . A 148 ALA HB1 . 30820 1 1614 . 1 . 1 148 148 ALA HB2 H 1 0.6670 0.0000 . 1 . . . . A 148 ALA HB2 . 30820 1 1615 . 1 . 1 148 148 ALA HB3 H 1 0.6670 0.0000 . 1 . . . . A 148 ALA HB3 . 30820 1 1616 . 1 . 1 148 148 ALA C C 13 178.3190 0.0000 . 1 . . . . A 148 ALA C . 30820 1 1617 . 1 . 1 148 148 ALA CA C 13 54.0150 0.0000 . 1 . . . . A 148 ALA CA . 30820 1 1618 . 1 . 1 148 148 ALA CB C 13 17.7300 0.0000 . 1 . . . . A 148 ALA CB . 30820 1 1619 . 1 . 1 148 148 ALA N N 15 132.1690 0.0000 . 1 . . . . A 148 ALA N . 30820 1 1620 . 1 . 1 149 149 LYS H H 1 8.0530 0.0000 . 1 . . . . A 149 LYS H . 30820 1 1621 . 1 . 1 149 149 LYS HA H 1 3.9160 0.0000 . 1 . . . . A 149 LYS HA . 30820 1 1622 . 1 . 1 149 149 LYS HB2 H 1 1.7890 0.0000 . 2 . . . . A 149 LYS HB2 . 30820 1 1623 . 1 . 1 149 149 LYS C C 13 177.9850 0.0000 . 1 . . . . A 149 LYS C . 30820 1 1624 . 1 . 1 149 149 LYS CA C 13 59.0240 0.0000 . 1 . . . . A 149 LYS CA . 30820 1 1625 . 1 . 1 149 149 LYS CB C 13 32.2570 0.0000 . 1 . . . . A 149 LYS CB . 30820 1 1626 . 1 . 1 149 149 LYS N N 15 119.2260 0.0000 . 1 . . . . A 149 LYS N . 30820 1 1627 . 1 . 1 150 150 GLY H H 1 8.3110 0.0000 . 1 . . . . A 150 GLY H . 30820 1 1628 . 1 . 1 150 150 GLY HA2 H 1 3.9160 0.0000 . 2 . . . . A 150 GLY HA2 . 30820 1 1629 . 1 . 1 150 150 GLY HA3 H 1 3.9160 0.0000 . 2 . . . . A 150 GLY HA3 . 30820 1 1630 . 1 . 1 150 150 GLY C C 13 177.7430 0.0000 . 1 . . . . A 150 GLY C . 30820 1 1631 . 1 . 1 150 150 GLY CA C 13 47.2540 0.0000 . 1 . . . . A 150 GLY CA . 30820 1 1632 . 1 . 1 150 150 GLY N N 15 107.5690 0.0000 . 1 . . . . A 150 GLY N . 30820 1 1633 . 1 . 1 151 151 MET H H 1 7.6900 0.0000 . 1 . . . . A 151 MET H . 30820 1 1634 . 1 . 1 151 151 MET HA H 1 3.3210 0.0000 . 1 . . . . A 151 MET HA . 30820 1 1635 . 1 . 1 151 151 MET HB2 H 1 1.8380 0.0000 . 2 . . . . A 151 MET HB2 . 30820 1 1636 . 1 . 1 151 151 MET HG2 H 1 1.7960 0.0000 . 2 . . . . A 151 MET HG2 . 30820 1 1637 . 1 . 1 151 151 MET HG3 H 1 1.8580 0.0000 . 2 . . . . A 151 MET HG3 . 30820 1 1638 . 1 . 1 151 151 MET HE1 H 1 0.9330 0.0000 . 1 . . . . A 151 MET HE1 . 30820 1 1639 . 1 . 1 151 151 MET HE2 H 1 0.9330 0.0000 . 1 . . . . A 151 MET HE2 . 30820 1 1640 . 1 . 1 151 151 MET HE3 H 1 0.9330 0.0000 . 1 . . . . A 151 MET HE3 . 30820 1 1641 . 1 . 1 151 151 MET C C 13 178.3200 0.0000 . 1 . . . . A 151 MET C . 30820 1 1642 . 1 . 1 151 151 MET CA C 13 59.8200 0.0000 . 1 . . . . A 151 MET CA . 30820 1 1643 . 1 . 1 151 151 MET CB C 13 31.9530 0.0000 . 1 . . . . A 151 MET CB . 30820 1 1644 . 1 . 1 151 151 MET CE C 13 16.8500 0.0000 . 1 . . . . A 151 MET CE . 30820 1 1645 . 1 . 1 151 151 MET N N 15 121.2180 0.0000 . 1 . . . . A 151 MET N . 30820 1 1646 . 1 . 1 152 152 ALA H H 1 9.1930 0.0000 . 1 . . . . A 152 ALA H . 30820 1 1647 . 1 . 1 152 152 ALA HA H 1 4.5830 0.0000 . 1 . . . . A 152 ALA HA . 30820 1 1648 . 1 . 1 152 152 ALA HB1 H 1 1.5100 0.0000 . 1 . . . . A 152 ALA HB1 . 30820 1 1649 . 1 . 1 152 152 ALA HB2 H 1 1.5100 0.0000 . 1 . . . . A 152 ALA HB2 . 30820 1 1650 . 1 . 1 152 152 ALA HB3 H 1 1.5100 0.0000 . 1 . . . . A 152 ALA HB3 . 30820 1 1651 . 1 . 1 152 152 ALA C C 13 182.5280 0.0000 . 1 . . . . A 152 ALA C . 30820 1 1652 . 1 . 1 152 152 ALA CA C 13 55.2000 0.0000 . 1 . . . . A 152 ALA CA . 30820 1 1653 . 1 . 1 152 152 ALA CB C 13 17.4630 0.0000 . 1 . . . . A 152 ALA CB . 30820 1 1654 . 1 . 1 152 152 ALA N N 15 126.5090 0.0000 . 1 . . . . A 152 ALA N . 30820 1 1655 . 1 . 1 153 153 ASP H H 1 8.9280 0.0000 . 1 . . . . A 153 ASP H . 30820 1 1656 . 1 . 1 153 153 ASP HA H 1 4.4570 0.0000 . 1 . . . . A 153 ASP HA . 30820 1 1657 . 1 . 1 153 153 ASP HB2 H 1 2.8110 0.0000 . 2 . . . . A 153 ASP HB2 . 30820 1 1658 . 1 . 1 153 153 ASP HB3 H 1 2.7270 0.0000 . 2 . . . . A 153 ASP HB3 . 30820 1 1659 . 1 . 1 153 153 ASP C C 13 177.5500 0.0000 . 1 . . . . A 153 ASP C . 30820 1 1660 . 1 . 1 153 153 ASP CA C 13 56.6740 0.0000 . 1 . . . . A 153 ASP CA . 30820 1 1661 . 1 . 1 153 153 ASP CB C 13 39.8660 0.0000 . 1 . . . . A 153 ASP CB . 30820 1 1662 . 1 . 1 153 153 ASP N N 15 120.8460 0.0000 . 1 . . . . A 153 ASP N . 30820 1 1663 . 1 . 1 154 154 GLY H H 1 7.7860 0.0000 . 1 . . . . A 154 GLY H . 30820 1 1664 . 1 . 1 154 154 GLY HA2 H 1 4.4510 0.0000 . 2 . . . . A 154 GLY HA2 . 30820 1 1665 . 1 . 1 154 154 GLY HA3 H 1 3.7660 0.0000 . 2 . . . . A 154 GLY HA3 . 30820 1 1666 . 1 . 1 154 154 GLY C C 13 174.3850 0.0000 . 1 . . . . A 154 GLY C . 30820 1 1667 . 1 . 1 154 154 GLY CA C 13 45.0220 0.0000 . 1 . . . . A 154 GLY CA . 30820 1 1668 . 1 . 1 154 154 GLY N N 15 106.8020 0.0000 . 1 . . . . A 154 GLY N . 30820 1 1669 . 1 . 1 155 155 GLY H H 1 7.7760 0.0000 . 1 . . . . A 155 GLY H . 30820 1 1670 . 1 . 1 155 155 GLY HA2 H 1 3.7550 0.0000 . 2 . . . . A 155 GLY HA2 . 30820 1 1671 . 1 . 1 155 155 GLY HA3 H 1 4.1640 0.0000 . 2 . . . . A 155 GLY HA3 . 30820 1 1672 . 1 . 1 155 155 GLY C C 13 174.4470 0.0000 . 1 . . . . A 155 GLY C . 30820 1 1673 . 1 . 1 155 155 GLY CA C 13 45.3770 0.0000 . 1 . . . . A 155 GLY CA . 30820 1 1674 . 1 . 1 155 155 GLY N N 15 106.6790 0.0000 . 1 . . . . A 155 GLY N . 30820 1 1675 . 1 . 1 156 156 PHE H H 1 8.0940 0.0000 . 1 . . . . A 156 PHE H . 30820 1 1676 . 1 . 1 156 156 PHE HA H 1 4.3120 0.0000 . 1 . . . . A 156 PHE HA . 30820 1 1677 . 1 . 1 156 156 PHE HB2 H 1 2.6290 0.0000 . 2 . . . . A 156 PHE HB2 . 30820 1 1678 . 1 . 1 156 156 PHE HB3 H 1 2.4350 0.0000 . 2 . . . . A 156 PHE HB3 . 30820 1 1679 . 1 . 1 156 156 PHE HD1 H 1 7.5380 0.0000 . 3 . . . . A 156 PHE HD1 . 30820 1 1680 . 1 . 1 156 156 PHE HE1 H 1 7.4170 0.0000 . 3 . . . . A 156 PHE HE1 . 30820 1 1681 . 1 . 1 156 156 PHE C C 13 174.7130 0.0000 . 1 . . . . A 156 PHE C . 30820 1 1682 . 1 . 1 156 156 PHE CA C 13 58.5820 0.0000 . 1 . . . . A 156 PHE CA . 30820 1 1683 . 1 . 1 156 156 PHE CB C 13 38.9960 0.0000 . 1 . . . . A 156 PHE CB . 30820 1 1684 . 1 . 1 156 156 PHE CD1 C 13 132.2530 0.0000 . 3 . . . . A 156 PHE CD1 . 30820 1 1685 . 1 . 1 156 156 PHE CE1 C 13 133.1900 0.0000 . 3 . . . . A 156 PHE CE1 . 30820 1 1686 . 1 . 1 156 156 PHE N N 15 119.6240 0.0000 . 1 . . . . A 156 PHE N . 30820 1 1687 . 1 . 1 157 157 ASP H H 1 8.4360 0.0000 . 1 . . . . A 157 ASP H . 30820 1 1688 . 1 . 1 157 157 ASP HA H 1 4.7960 0.0000 . 1 . . . . A 157 ASP HA . 30820 1 1689 . 1 . 1 157 157 ASP HB2 H 1 2.5740 0.0000 . 2 . . . . A 157 ASP HB2 . 30820 1 1690 . 1 . 1 157 157 ASP HB3 H 1 2.1160 0.0000 . 2 . . . . A 157 ASP HB3 . 30820 1 1691 . 1 . 1 157 157 ASP C C 13 173.1440 0.0000 . 1 . . . . A 157 ASP C . 30820 1 1692 . 1 . 1 157 157 ASP CA C 13 53.9710 0.0000 . 1 . . . . A 157 ASP CA . 30820 1 1693 . 1 . 1 157 157 ASP CB C 13 43.1690 0.0000 . 1 . . . . A 157 ASP CB . 30820 1 1694 . 1 . 1 157 157 ASP N N 15 121.1170 0.0000 . 1 . . . . A 157 ASP N . 30820 1 1695 . 1 . 1 158 158 PHE H H 1 8.9040 0.0000 . 1 . . . . A 158 PHE H . 30820 1 1696 . 1 . 1 158 158 PHE HA H 1 4.9390 0.0000 . 1 . . . . A 158 PHE HA . 30820 1 1697 . 1 . 1 158 158 PHE HB2 H 1 3.1560 0.0000 . 2 . . . . A 158 PHE HB2 . 30820 1 1698 . 1 . 1 158 158 PHE HB3 H 1 3.1560 0.0000 . 2 . . . . A 158 PHE HB3 . 30820 1 1699 . 1 . 1 158 158 PHE HD1 H 1 7.0970 0.0000 . 3 . . . . A 158 PHE HD1 . 30820 1 1700 . 1 . 1 158 158 PHE HE1 H 1 7.5390 0.0000 . 3 . . . . A 158 PHE HE1 . 30820 1 1701 . 1 . 1 158 158 PHE C C 13 174.3850 0.0000 . 1 . . . . A 158 PHE C . 30820 1 1702 . 1 . 1 158 158 PHE CA C 13 56.9770 0.0000 . 1 . . . . A 158 PHE CA . 30820 1 1703 . 1 . 1 158 158 PHE CB C 13 42.8710 0.0000 . 1 . . . . A 158 PHE CB . 30820 1 1704 . 1 . 1 158 158 PHE CD1 C 13 132.0560 0.0000 . 3 . . . . A 158 PHE CD1 . 30820 1 1705 . 1 . 1 158 158 PHE CE1 C 13 132.3890 0.0000 . 3 . . . . A 158 PHE CE1 . 30820 1 1706 . 1 . 1 158 158 PHE N N 15 120.3570 0.0000 . 1 . . . . A 158 PHE N . 30820 1 1707 . 1 . 1 159 159 TYR H H 1 8.9550 0.0000 . 1 . . . . A 159 TYR H . 30820 1 1708 . 1 . 1 159 159 TYR HA H 1 5.0780 0.0000 . 1 . . . . A 159 TYR HA . 30820 1 1709 . 1 . 1 159 159 TYR HB2 H 1 3.0400 0.0000 . 2 . . . . A 159 TYR HB2 . 30820 1 1710 . 1 . 1 159 159 TYR HB3 H 1 2.9370 0.0000 . 2 . . . . A 159 TYR HB3 . 30820 1 1711 . 1 . 1 159 159 TYR HD1 H 1 6.6640 0.0000 . 3 . . . . A 159 TYR HD1 . 30820 1 1712 . 1 . 1 159 159 TYR HE1 H 1 6.7630 0.0000 . 3 . . . . A 159 TYR HE1 . 30820 1 1713 . 1 . 1 159 159 TYR C C 13 173.0180 0.0000 . 1 . . . . A 159 TYR C . 30820 1 1714 . 1 . 1 159 159 TYR CA C 13 55.1160 0.0000 . 1 . . . . A 159 TYR CA . 30820 1 1715 . 1 . 1 159 159 TYR CB C 13 41.7000 0.0000 . 1 . . . . A 159 TYR CB . 30820 1 1716 . 1 . 1 159 159 TYR CD1 C 13 133.1300 0.0000 . 3 . . . . A 159 TYR CD1 . 30820 1 1717 . 1 . 1 159 159 TYR CE1 C 13 117.6420 0.0000 . 3 . . . . A 159 TYR CE1 . 30820 1 1718 . 1 . 1 159 159 TYR N N 15 116.0450 0.0000 . 1 . . . . A 159 TYR N . 30820 1 1719 . 1 . 1 160 160 LEU H H 1 8.7180 0.0000 . 1 . . . . A 160 LEU H . 30820 1 1720 . 1 . 1 160 160 LEU HA H 1 4.2580 0.0000 . 1 . . . . A 160 LEU HA . 30820 1 1721 . 1 . 1 160 160 LEU HB2 H 1 1.2390 0.0000 . 2 . . . . A 160 LEU HB2 . 30820 1 1722 . 1 . 1 160 160 LEU HG H 1 1.1100 0.0000 . 1 . . . . A 160 LEU HG . 30820 1 1723 . 1 . 1 160 160 LEU HD11 H 1 0.4710 0.0000 . 2 . . . . A 160 LEU HD11 . 30820 1 1724 . 1 . 1 160 160 LEU HD12 H 1 0.4710 0.0000 . 2 . . . . A 160 LEU HD12 . 30820 1 1725 . 1 . 1 160 160 LEU HD13 H 1 0.4710 0.0000 . 2 . . . . A 160 LEU HD13 . 30820 1 1726 . 1 . 1 160 160 LEU HD21 H 1 -0.4290 0.0000 . 2 . . . . A 160 LEU HD21 . 30820 1 1727 . 1 . 1 160 160 LEU HD22 H 1 -0.4290 0.0000 . 2 . . . . A 160 LEU HD22 . 30820 1 1728 . 1 . 1 160 160 LEU HD23 H 1 -0.4290 0.0000 . 2 . . . . A 160 LEU HD23 . 30820 1 1729 . 1 . 1 160 160 LEU C C 13 172.4740 0.0000 . 1 . . . . A 160 LEU C . 30820 1 1730 . 1 . 1 160 160 LEU CA C 13 52.5810 0.0000 . 1 . . . . A 160 LEU CA . 30820 1 1731 . 1 . 1 160 160 LEU CB C 13 43.4080 0.0000 . 1 . . . . A 160 LEU CB . 30820 1 1732 . 1 . 1 160 160 LEU CG C 13 25.8590 0.0000 . 1 . . . . A 160 LEU CG . 30820 1 1733 . 1 . 1 160 160 LEU CD1 C 13 25.7220 0.0000 . 2 . . . . A 160 LEU CD1 . 30820 1 1734 . 1 . 1 160 160 LEU CD2 C 13 20.2180 0.0000 . 2 . . . . A 160 LEU CD2 . 30820 1 1735 . 1 . 1 160 160 LEU N N 15 123.4670 0.0000 . 1 . . . . A 160 LEU N . 30820 1 1736 . 1 . 1 161 161 SER H H 1 9.2020 0.0000 . 1 . . . . A 161 SER H . 30820 1 1737 . 1 . 1 161 161 SER C C 13 175.5210 0.0000 . 1 . . . . A 161 SER C . 30820 1 1738 . 1 . 1 161 161 SER CA C 13 56.7630 0.0000 . 1 . . . . A 161 SER CA . 30820 1 1739 . 1 . 1 161 161 SER N N 15 124.4040 0.0000 . 1 . . . . A 161 SER N . 30820 1 1740 . 1 . 1 162 162 ASN H H 1 8.5780 0.0000 . 1 . . . . A 162 ASN H . 30820 1 1741 . 1 . 1 162 162 ASN HA H 1 4.4710 0.0000 . 1 . . . . A 162 ASN HA . 30820 1 1742 . 1 . 1 162 162 ASN HB2 H 1 2.8720 0.0000 . 2 . . . . A 162 ASN HB2 . 30820 1 1743 . 1 . 1 162 162 ASN HB3 H 1 2.8710 0.0000 . 2 . . . . A 162 ASN HB3 . 30820 1 1744 . 1 . 1 162 162 ASN HD21 H 1 7.7530 0.0000 . 2 . . . . A 162 ASN HD21 . 30820 1 1745 . 1 . 1 162 162 ASN HD22 H 1 7.1130 0.0000 . 2 . . . . A 162 ASN HD22 . 30820 1 1746 . 1 . 1 162 162 ASN C C 13 175.3180 0.0000 . 1 . . . . A 162 ASN C . 30820 1 1747 . 1 . 1 162 162 ASN CA C 13 54.8650 0.0000 . 1 . . . . A 162 ASN CA . 30820 1 1748 . 1 . 1 162 162 ASN CB C 13 37.6110 0.0000 . 1 . . . . A 162 ASN CB . 30820 1 1749 . 1 . 1 162 162 ASN N N 15 120.1710 0.0000 . 1 . . . . A 162 ASN N . 30820 1 1750 . 1 . 1 162 162 ASN ND2 N 15 112.8560 0.0000 . 1 . . . . A 162 ASN ND2 . 30820 1 1751 . 1 . 1 163 163 ASN H H 1 8.0780 0.0000 . 1 . . . . A 163 ASN H . 30820 1 1752 . 1 . 1 163 163 ASN HA H 1 4.8650 0.0000 . 1 . . . . A 163 ASN HA . 30820 1 1753 . 1 . 1 163 163 ASN HB2 H 1 2.9780 0.0000 . 2 . . . . A 163 ASN HB2 . 30820 1 1754 . 1 . 1 163 163 ASN HB3 H 1 2.9040 0.0000 . 2 . . . . A 163 ASN HB3 . 30820 1 1755 . 1 . 1 163 163 ASN HD21 H 1 7.6740 0.0000 . 2 . . . . A 163 ASN HD21 . 30820 1 1756 . 1 . 1 163 163 ASN HD22 H 1 6.9760 0.0000 . 2 . . . . A 163 ASN HD22 . 30820 1 1757 . 1 . 1 163 163 ASN C C 13 175.8040 0.0000 . 1 . . . . A 163 ASN C . 30820 1 1758 . 1 . 1 163 163 ASN CA C 13 52.1500 0.0000 . 1 . . . . A 163 ASN CA . 30820 1 1759 . 1 . 1 163 163 ASN CB C 13 38.0280 0.0000 . 1 . . . . A 163 ASN CB . 30820 1 1760 . 1 . 1 163 163 ASN N N 15 115.1740 0.0000 . 1 . . . . A 163 ASN N . 30820 1 1761 . 1 . 1 163 163 ASN ND2 N 15 112.6230 0.0000 . 1 . . . . A 163 ASN ND2 . 30820 1 1762 . 1 . 1 164 164 GLY H H 1 8.0520 0.0000 . 1 . . . . A 164 GLY H . 30820 1 1763 . 1 . 1 164 164 GLY HA2 H 1 4.1200 0.0000 . 2 . . . . A 164 GLY HA2 . 30820 1 1764 . 1 . 1 164 164 GLY HA3 H 1 3.5380 0.0000 . 2 . . . . A 164 GLY HA3 . 30820 1 1765 . 1 . 1 164 164 GLY C C 13 173.4640 0.0000 . 1 . . . . A 164 GLY C . 30820 1 1766 . 1 . 1 164 164 GLY CA C 13 46.0950 0.0000 . 1 . . . . A 164 GLY CA . 30820 1 1767 . 1 . 1 164 164 GLY N N 15 108.0930 0.0000 . 1 . . . . A 164 GLY N . 30820 1 1768 . 1 . 1 165 165 VAL H H 1 7.5880 0.0000 . 1 . . . . A 165 VAL H . 30820 1 1769 . 1 . 1 165 165 VAL HA H 1 4.2220 0.0000 . 1 . . . . A 165 VAL HA . 30820 1 1770 . 1 . 1 165 165 VAL HB H 1 1.9760 0.0000 . 1 . . . . A 165 VAL HB . 30820 1 1771 . 1 . 1 165 165 VAL HG11 H 1 0.9900 0.0000 . 2 . . . . A 165 VAL HG11 . 30820 1 1772 . 1 . 1 165 165 VAL HG12 H 1 0.9900 0.0000 . 2 . . . . A 165 VAL HG12 . 30820 1 1773 . 1 . 1 165 165 VAL HG13 H 1 0.9900 0.0000 . 2 . . . . A 165 VAL HG13 . 30820 1 1774 . 1 . 1 165 165 VAL HG21 H 1 1.1350 0.0000 . 2 . . . . A 165 VAL HG21 . 30820 1 1775 . 1 . 1 165 165 VAL HG22 H 1 1.1350 0.0000 . 2 . . . . A 165 VAL HG22 . 30820 1 1776 . 1 . 1 165 165 VAL HG23 H 1 1.1350 0.0000 . 2 . . . . A 165 VAL HG23 . 30820 1 1777 . 1 . 1 165 165 VAL C C 13 174.5730 0.0000 . 1 . . . . A 165 VAL C . 30820 1 1778 . 1 . 1 165 165 VAL CA C 13 62.8330 0.0000 . 1 . . . . A 165 VAL CA . 30820 1 1779 . 1 . 1 165 165 VAL CB C 13 33.0120 0.0000 . 1 . . . . A 165 VAL CB . 30820 1 1780 . 1 . 1 165 165 VAL CG1 C 13 22.4750 0.0000 . 2 . . . . A 165 VAL CG1 . 30820 1 1781 . 1 . 1 165 165 VAL CG2 C 13 23.1960 0.0000 . 2 . . . . A 165 VAL CG2 . 30820 1 1782 . 1 . 1 165 165 VAL N N 15 121.9360 0.0000 . 1 . . . . A 165 VAL N . 30820 1 1783 . 1 . 1 166 166 TRP H H 1 8.3600 0.0000 . 1 . . . . A 166 TRP H . 30820 1 1784 . 1 . 1 166 166 TRP HA H 1 5.0130 0.0000 . 1 . . . . A 166 TRP HA . 30820 1 1785 . 1 . 1 166 166 TRP HB2 H 1 2.8470 0.0000 . 2 . . . . A 166 TRP HB2 . 30820 1 1786 . 1 . 1 166 166 TRP HD1 H 1 7.0670 0.0000 . 1 . . . . A 166 TRP HD1 . 30820 1 1787 . 1 . 1 166 166 TRP HE1 H 1 10.3990 0.0000 . 1 . . . . A 166 TRP HE1 . 30820 1 1788 . 1 . 1 166 166 TRP HE3 H 1 7.0290 0.0000 . 1 . . . . A 166 TRP HE3 . 30820 1 1789 . 1 . 1 166 166 TRP HZ2 H 1 7.4780 0.0000 . 1 . . . . A 166 TRP HZ2 . 30820 1 1790 . 1 . 1 166 166 TRP HZ3 H 1 6.6860 0.0000 . 1 . . . . A 166 TRP HZ3 . 30820 1 1791 . 1 . 1 166 166 TRP HH2 H 1 6.9140 0.0000 . 1 . . . . A 166 TRP HH2 . 30820 1 1792 . 1 . 1 166 166 TRP C C 13 174.2930 0.0000 . 1 . . . . A 166 TRP C . 30820 1 1793 . 1 . 1 166 166 TRP CA C 13 57.0050 0.0000 . 1 . . . . A 166 TRP CA . 30820 1 1794 . 1 . 1 166 166 TRP CB C 13 32.1110 0.0000 . 1 . . . . A 166 TRP CB . 30820 1 1795 . 1 . 1 166 166 TRP CD1 C 13 126.1960 0.0000 . 1 . . . . A 166 TRP CD1 . 30820 1 1796 . 1 . 1 166 166 TRP CZ2 C 13 115.0880 0.0000 . 1 . . . . A 166 TRP CZ2 . 30820 1 1797 . 1 . 1 166 166 TRP CH2 C 13 124.9300 0.0000 . 1 . . . . A 166 TRP CH2 . 30820 1 1798 . 1 . 1 166 166 TRP N N 15 127.9590 0.0000 . 1 . . . . A 166 TRP N . 30820 1 1799 . 1 . 1 166 166 TRP NE1 N 15 128.2430 0.0000 . 1 . . . . A 166 TRP NE1 . 30820 1 1800 . 1 . 1 167 167 LEU H H 1 9.5840 0.0000 . 1 . . . . A 167 LEU H . 30820 1 1801 . 1 . 1 167 167 LEU HA H 1 5.3770 0.0000 . 1 . . . . A 167 LEU HA . 30820 1 1802 . 1 . 1 167 167 LEU HD11 H 1 -0.1480 0.0000 . 2 . . . . A 167 LEU HD11 . 30820 1 1803 . 1 . 1 167 167 LEU HD12 H 1 -0.1480 0.0000 . 2 . . . . A 167 LEU HD12 . 30820 1 1804 . 1 . 1 167 167 LEU HD13 H 1 -0.1480 0.0000 . 2 . . . . A 167 LEU HD13 . 30820 1 1805 . 1 . 1 167 167 LEU HD21 H 1 -0.0170 0.0000 . 2 . . . . A 167 LEU HD21 . 30820 1 1806 . 1 . 1 167 167 LEU HD22 H 1 -0.0170 0.0000 . 2 . . . . A 167 LEU HD22 . 30820 1 1807 . 1 . 1 167 167 LEU HD23 H 1 -0.0170 0.0000 . 2 . . . . A 167 LEU HD23 . 30820 1 1808 . 1 . 1 167 167 LEU CA C 13 53.1640 0.0000 . 1 . . . . A 167 LEU CA . 30820 1 1809 . 1 . 1 167 167 LEU CD1 C 13 25.3290 0.0000 . 2 . . . . A 167 LEU CD1 . 30820 1 1810 . 1 . 1 167 167 LEU CD2 C 13 22.2950 0.0000 . 2 . . . . A 167 LEU CD2 . 30820 1 1811 . 1 . 1 167 167 LEU N N 15 122.1800 0.0000 . 1 . . . . A 167 LEU N . 30820 1 1812 . 1 . 1 168 168 ILE H H 1 8.2060 0.0000 . 1 . . . . A 168 ILE H . 30820 1 1813 . 1 . 1 168 168 ILE HA H 1 4.7260 0.0000 . 1 . . . . A 168 ILE HA . 30820 1 1814 . 1 . 1 168 168 ILE HB H 1 1.5090 0.0000 . 1 . . . . A 168 ILE HB . 30820 1 1815 . 1 . 1 168 168 ILE HG12 H 1 1.4940 0.0000 . 2 . . . . A 168 ILE HG12 . 30820 1 1816 . 1 . 1 168 168 ILE HG13 H 1 0.8140 0.0000 . 2 . . . . A 168 ILE HG13 . 30820 1 1817 . 1 . 1 168 168 ILE HG21 H 1 0.4430 0.0000 . 1 . . . . A 168 ILE HG21 . 30820 1 1818 . 1 . 1 168 168 ILE HG22 H 1 0.4430 0.0000 . 1 . . . . A 168 ILE HG22 . 30820 1 1819 . 1 . 1 168 168 ILE HG23 H 1 0.4430 0.0000 . 1 . . . . A 168 ILE HG23 . 30820 1 1820 . 1 . 1 168 168 ILE HD11 H 1 -0.1770 0.0000 . 1 . . . . A 168 ILE HD11 . 30820 1 1821 . 1 . 1 168 168 ILE HD12 H 1 -0.1770 0.0000 . 1 . . . . A 168 ILE HD12 . 30820 1 1822 . 1 . 1 168 168 ILE HD13 H 1 -0.1770 0.0000 . 1 . . . . A 168 ILE HD13 . 30820 1 1823 . 1 . 1 168 168 ILE C C 13 173.6720 0.0000 . 1 . . . . A 168 ILE C . 30820 1 1824 . 1 . 1 168 168 ILE CA C 13 58.3480 0.0000 . 1 . . . . A 168 ILE CA . 30820 1 1825 . 1 . 1 168 168 ILE CB C 13 40.1950 0.0000 . 1 . . . . A 168 ILE CB . 30820 1 1826 . 1 . 1 168 168 ILE CG1 C 13 29.6480 0.0000 . 1 . . . . A 168 ILE CG1 . 30820 1 1827 . 1 . 1 168 168 ILE CG2 C 13 17.5750 0.0000 . 1 . . . . A 168 ILE CG2 . 30820 1 1828 . 1 . 1 168 168 ILE CD1 C 13 14.5180 0.0000 . 1 . . . . A 168 ILE CD1 . 30820 1 1829 . 1 . 1 168 168 ILE N N 15 116.4030 0.0000 . 1 . . . . A 168 ILE N . 30820 1 1830 . 1 . 1 169 169 ASP H H 1 8.9640 0.0000 . 1 . . . . A 169 ASP H . 30820 1 1831 . 1 . 1 169 169 ASP HA H 1 4.3960 0.0000 . 1 . . . . A 169 ASP HA . 30820 1 1832 . 1 . 1 169 169 ASP HB2 H 1 2.8480 0.0000 . 2 . . . . A 169 ASP HB2 . 30820 1 1833 . 1 . 1 169 169 ASP HB3 H 1 2.8480 0.0000 . 2 . . . . A 169 ASP HB3 . 30820 1 1834 . 1 . 1 169 169 ASP CA C 13 59.7300 0.0000 . 1 . . . . A 169 ASP CA . 30820 1 1835 . 1 . 1 169 169 ASP CB C 13 41.9310 0.0000 . 1 . . . . A 169 ASP CB . 30820 1 1836 . 1 . 1 169 169 ASP N N 15 126.7540 0.0000 . 1 . . . . A 169 ASP N . 30820 1 1837 . 1 . 1 170 170 PHE H H 1 7.1700 0.0000 . 1 . . . . A 170 PHE H . 30820 1 1838 . 1 . 1 170 170 PHE HA H 1 4.7860 0.0000 . 1 . . . . A 170 PHE HA . 30820 1 1839 . 1 . 1 170 170 PHE HB2 H 1 2.6280 0.0000 . 2 . . . . A 170 PHE HB2 . 30820 1 1840 . 1 . 1 170 170 PHE HB3 H 1 3.5610 0.0000 . 2 . . . . A 170 PHE HB3 . 30820 1 1841 . 1 . 1 170 170 PHE HD1 H 1 7.4140 0.0000 . 3 . . . . A 170 PHE HD1 . 30820 1 1842 . 1 . 1 170 170 PHE HE1 H 1 7.5950 0.0000 . 3 . . . . A 170 PHE HE1 . 30820 1 1843 . 1 . 1 170 170 PHE HZ H 1 7.1560 0.0000 . 1 . . . . A 170 PHE HZ . 30820 1 1844 . 1 . 1 170 170 PHE C C 13 173.3370 0.0000 . 1 . . . . A 170 PHE C . 30820 1 1845 . 1 . 1 170 170 PHE CA C 13 56.3490 0.0000 . 1 . . . . A 170 PHE CA . 30820 1 1846 . 1 . 1 170 170 PHE CB C 13 42.1850 0.0000 . 1 . . . . A 170 PHE CB . 30820 1 1847 . 1 . 1 170 170 PHE CD1 C 13 131.8140 0.0000 . 3 . . . . A 170 PHE CD1 . 30820 1 1848 . 1 . 1 170 170 PHE CE1 C 13 132.4880 0.0000 . 3 . . . . A 170 PHE CE1 . 30820 1 1849 . 1 . 1 170 170 PHE CZ C 13 131.3600 0.0000 . 1 . . . . A 170 PHE CZ . 30820 1 1850 . 1 . 1 170 170 PHE N N 15 114.2320 0.0000 . 1 . . . . A 170 PHE N . 30820 1 1851 . 1 . 1 171 171 VAL H H 1 7.9820 0.0000 . 1 . . . . A 171 VAL H . 30820 1 1852 . 1 . 1 171 171 VAL HA H 1 4.0840 0.0000 . 1 . . . . A 171 VAL HA . 30820 1 1853 . 1 . 1 171 171 VAL HB H 1 1.5950 0.0000 . 1 . . . . A 171 VAL HB . 30820 1 1854 . 1 . 1 171 171 VAL HG11 H 1 0.6900 0.0000 . 2 . . . . A 171 VAL HG11 . 30820 1 1855 . 1 . 1 171 171 VAL HG12 H 1 0.6900 0.0000 . 2 . . . . A 171 VAL HG12 . 30820 1 1856 . 1 . 1 171 171 VAL HG13 H 1 0.6900 0.0000 . 2 . . . . A 171 VAL HG13 . 30820 1 1857 . 1 . 1 171 171 VAL HG21 H 1 0.5390 0.0000 . 2 . . . . A 171 VAL HG21 . 30820 1 1858 . 1 . 1 171 171 VAL HG22 H 1 0.5390 0.0000 . 2 . . . . A 171 VAL HG22 . 30820 1 1859 . 1 . 1 171 171 VAL HG23 H 1 0.5390 0.0000 . 2 . . . . A 171 VAL HG23 . 30820 1 1860 . 1 . 1 171 171 VAL C C 13 181.6100 0.0000 . 1 . . . . A 171 VAL C . 30820 1 1861 . 1 . 1 171 171 VAL CA C 13 58.3980 0.0000 . 1 . . . . A 171 VAL CA . 30820 1 1862 . 1 . 1 171 171 VAL CB C 13 32.5790 0.0000 . 1 . . . . A 171 VAL CB . 30820 1 1863 . 1 . 1 171 171 VAL CG1 C 13 21.1610 0.0000 . 2 . . . . A 171 VAL CG1 . 30820 1 1864 . 1 . 1 171 171 VAL CG2 C 13 21.7520 0.0000 . 2 . . . . A 171 VAL CG2 . 30820 1 1865 . 1 . 1 171 171 VAL N N 15 125.5080 0.0000 . 1 . . . . A 171 VAL N . 30820 1 1866 . 1 . 1 172 172 PRO HA H 1 4.1410 0.0000 . 1 . . . . A 172 PRO HA . 30820 1 1867 . 1 . 1 172 172 PRO HB2 H 1 1.9950 0.0000 . 2 . . . . A 172 PRO HB2 . 30820 1 1868 . 1 . 1 172 172 PRO C C 13 176.7860 0.0000 . 1 . . . . A 172 PRO C . 30820 1 1869 . 1 . 1 172 172 PRO CA C 13 62.4090 0.0000 . 1 . . . . A 172 PRO CA . 30820 1 1870 . 1 . 1 172 172 PRO CB C 13 32.5240 0.0000 . 1 . . . . A 172 PRO CB . 30820 1 1871 . 1 . 1 173 173 ALA H H 1 8.5840 0.0000 . 1 . . . . A 173 ALA H . 30820 1 1872 . 1 . 1 173 173 ALA HA H 1 3.7790 0.0000 . 1 . . . . A 173 ALA HA . 30820 1 1873 . 1 . 1 173 173 ALA HB1 H 1 1.3010 0.0000 . 1 . . . . A 173 ALA HB1 . 30820 1 1874 . 1 . 1 173 173 ALA HB2 H 1 1.3010 0.0000 . 1 . . . . A 173 ALA HB2 . 30820 1 1875 . 1 . 1 173 173 ALA HB3 H 1 1.3010 0.0000 . 1 . . . . A 173 ALA HB3 . 30820 1 1876 . 1 . 1 173 173 ALA C C 13 179.5250 0.0000 . 1 . . . . A 173 ALA C . 30820 1 1877 . 1 . 1 173 173 ALA CA C 13 55.2100 0.0000 . 1 . . . . A 173 ALA CA . 30820 1 1878 . 1 . 1 173 173 ALA CB C 13 18.5190 0.0000 . 1 . . . . A 173 ALA CB . 30820 1 1879 . 1 . 1 173 173 ALA N N 15 124.5600 0.0000 . 1 . . . . A 173 ALA N . 30820 1 1880 . 1 . 1 174 174 GLU H H 1 8.9760 0.0000 . 1 . . . . A 174 GLU H . 30820 1 1881 . 1 . 1 174 174 GLU HA H 1 4.0660 0.0000 . 1 . . . . A 174 GLU HA . 30820 1 1882 . 1 . 1 174 174 GLU HB2 H 1 1.7950 0.0000 . 2 . . . . A 174 GLU HB2 . 30820 1 1883 . 1 . 1 174 174 GLU HB3 H 1 1.6390 0.0000 . 2 . . . . A 174 GLU HB3 . 30820 1 1884 . 1 . 1 174 174 GLU HG2 H 1 1.5620 0.0000 . 2 . . . . A 174 GLU HG2 . 30820 1 1885 . 1 . 1 174 174 GLU HG3 H 1 1.3590 0.0000 . 2 . . . . A 174 GLU HG3 . 30820 1 1886 . 1 . 1 174 174 GLU C C 13 176.6190 0.0000 . 1 . . . . A 174 GLU C . 30820 1 1887 . 1 . 1 174 174 GLU CA C 13 58.3610 0.0000 . 1 . . . . A 174 GLU CA . 30820 1 1888 . 1 . 1 174 174 GLU CB C 13 28.8700 0.0000 . 1 . . . . A 174 GLU CB . 30820 1 1889 . 1 . 1 174 174 GLU CG C 13 35.6200 0.0000 . 1 . . . . A 174 GLU CG . 30820 1 1890 . 1 . 1 174 174 GLU N N 15 114.7730 0.0000 . 1 . . . . A 174 GLU N . 30820 1 1891 . 1 . 1 175 175 PHE H H 1 7.7150 0.0000 . 1 . . . . A 175 PHE H . 30820 1 1892 . 1 . 1 175 175 PHE HA H 1 4.7470 0.0000 . 1 . . . . A 175 PHE HA . 30820 1 1893 . 1 . 1 175 175 PHE HB2 H 1 2.5840 0.0000 . 2 . . . . A 175 PHE HB2 . 30820 1 1894 . 1 . 1 175 175 PHE HB3 H 1 2.4620 0.0000 . 2 . . . . A 175 PHE HB3 . 30820 1 1895 . 1 . 1 175 175 PHE HD1 H 1 7.1660 0.0000 . 3 . . . . A 175 PHE HD1 . 30820 1 1896 . 1 . 1 175 175 PHE HE1 H 1 7.3370 0.0000 . 3 . . . . A 175 PHE HE1 . 30820 1 1897 . 1 . 1 175 175 PHE HZ H 1 7.2070 0.0000 . 1 . . . . A 175 PHE HZ . 30820 1 1898 . 1 . 1 175 175 PHE C C 13 173.5750 0.0000 . 1 . . . . A 175 PHE C . 30820 1 1899 . 1 . 1 175 175 PHE CA C 13 58.3270 0.0000 . 1 . . . . A 175 PHE CA . 30820 1 1900 . 1 . 1 175 175 PHE CB C 13 39.7890 0.0000 . 1 . . . . A 175 PHE CB . 30820 1 1901 . 1 . 1 175 175 PHE CD1 C 13 131.7470 0.0000 . 3 . . . . A 175 PHE CD1 . 30820 1 1902 . 1 . 1 175 175 PHE CE1 C 13 131.3540 0.0000 . 3 . . . . A 175 PHE CE1 . 30820 1 1903 . 1 . 1 175 175 PHE N N 15 117.0960 0.0000 . 1 . . . . A 175 PHE N . 30820 1 1904 . 1 . 1 176 176 ILE H H 1 7.4520 0.0000 . 1 . . . . A 176 ILE H . 30820 1 1905 . 1 . 1 176 176 ILE HA H 1 4.4930 0.0000 . 1 . . . . A 176 ILE HA . 30820 1 1906 . 1 . 1 176 176 ILE HB H 1 1.8440 0.0000 . 1 . . . . A 176 ILE HB . 30820 1 1907 . 1 . 1 176 176 ILE HG12 H 1 1.6610 0.0000 . 2 . . . . A 176 ILE HG12 . 30820 1 1908 . 1 . 1 176 176 ILE HG21 H 1 0.8000 0.0000 . 1 . . . . A 176 ILE HG21 . 30820 1 1909 . 1 . 1 176 176 ILE HG22 H 1 0.8000 0.0000 . 1 . . . . A 176 ILE HG22 . 30820 1 1910 . 1 . 1 176 176 ILE HG23 H 1 0.8000 0.0000 . 1 . . . . A 176 ILE HG23 . 30820 1 1911 . 1 . 1 176 176 ILE HD11 H 1 0.6590 0.0000 . 1 . . . . A 176 ILE HD11 . 30820 1 1912 . 1 . 1 176 176 ILE HD12 H 1 0.6590 0.0000 . 1 . . . . A 176 ILE HD12 . 30820 1 1913 . 1 . 1 176 176 ILE HD13 H 1 0.6590 0.0000 . 1 . . . . A 176 ILE HD13 . 30820 1 1914 . 1 . 1 176 176 ILE C C 13 175.4370 0.0000 . 1 . . . . A 176 ILE C . 30820 1 1915 . 1 . 1 176 176 ILE CA C 13 61.0160 0.0000 . 1 . . . . A 176 ILE CA . 30820 1 1916 . 1 . 1 176 176 ILE CB C 13 38.6760 0.0000 . 1 . . . . A 176 ILE CB . 30820 1 1917 . 1 . 1 176 176 ILE CG1 C 13 27.2310 0.0000 . 1 . . . . A 176 ILE CG1 . 30820 1 1918 . 1 . 1 176 176 ILE CG2 C 13 18.8440 0.0000 . 1 . . . . A 176 ILE CG2 . 30820 1 1919 . 1 . 1 176 176 ILE CD1 C 13 15.6640 0.0000 . 1 . . . . A 176 ILE CD1 . 30820 1 1920 . 1 . 1 176 176 ILE N N 15 120.3470 0.0000 . 1 . . . . A 176 ILE N . 30820 1 1921 . 1 . 1 177 177 LYS H H 1 8.8670 0.0000 . 1 . . . . A 177 LYS H . 30820 1 1922 . 1 . 1 177 177 LYS HA H 1 4.5560 0.0000 . 1 . . . . A 177 LYS HA . 30820 1 1923 . 1 . 1 177 177 LYS HB2 H 1 1.8330 0.0000 . 2 . . . . A 177 LYS HB2 . 30820 1 1924 . 1 . 1 177 177 LYS HB3 H 1 1.7160 0.0000 . 2 . . . . A 177 LYS HB3 . 30820 1 1925 . 1 . 1 177 177 LYS HG2 H 1 1.3980 0.0000 . 2 . . . . A 177 LYS HG2 . 30820 1 1926 . 1 . 1 177 177 LYS HD2 H 1 1.6240 0.0000 . 2 . . . . A 177 LYS HD2 . 30820 1 1927 . 1 . 1 177 177 LYS HE2 H 1 2.9880 0.0000 . 2 . . . . A 177 LYS HE2 . 30820 1 1928 . 1 . 1 177 177 LYS HE3 H 1 2.9070 0.0000 . 2 . . . . A 177 LYS HE3 . 30820 1 1929 . 1 . 1 177 177 LYS C C 13 174.7520 0.0000 . 1 . . . . A 177 LYS C . 30820 1 1930 . 1 . 1 177 177 LYS CA C 13 55.2440 0.0000 . 1 . . . . A 177 LYS CA . 30820 1 1931 . 1 . 1 177 177 LYS CB C 13 33.4960 0.0000 . 1 . . . . A 177 LYS CB . 30820 1 1932 . 1 . 1 177 177 LYS CG C 13 24.2710 0.0000 . 1 . . . . A 177 LYS CG . 30820 1 1933 . 1 . 1 177 177 LYS CD C 13 29.0150 0.0000 . 1 . . . . A 177 LYS CD . 30820 1 1934 . 1 . 1 177 177 LYS CE C 13 41.7600 0.0000 . 1 . . . . A 177 LYS CE . 30820 1 1935 . 1 . 1 177 177 LYS N N 15 128.2360 0.0000 . 1 . . . . A 177 LYS N . 30820 1 1936 . 1 . 1 178 178 VAL H H 1 7.9360 0.0000 . 1 . . . . A 178 VAL H . 30820 1 1937 . 1 . 1 178 178 VAL HA H 1 4.2840 0.0000 . 1 . . . . A 178 VAL HA . 30820 1 1938 . 1 . 1 178 178 VAL HB H 1 2.1880 0.0000 . 1 . . . . A 178 VAL HB . 30820 1 1939 . 1 . 1 178 178 VAL HG11 H 1 1.0170 0.0000 . 2 . . . . A 178 VAL HG11 . 30820 1 1940 . 1 . 1 178 178 VAL HG12 H 1 1.0170 0.0000 . 2 . . . . A 178 VAL HG12 . 30820 1 1941 . 1 . 1 178 178 VAL HG13 H 1 1.0170 0.0000 . 2 . . . . A 178 VAL HG13 . 30820 1 1942 . 1 . 1 178 178 VAL HG21 H 1 0.9640 0.0000 . 2 . . . . A 178 VAL HG21 . 30820 1 1943 . 1 . 1 178 178 VAL HG22 H 1 0.9640 0.0000 . 2 . . . . A 178 VAL HG22 . 30820 1 1944 . 1 . 1 178 178 VAL HG23 H 1 0.9640 0.0000 . 2 . . . . A 178 VAL HG23 . 30820 1 1945 . 1 . 1 178 178 VAL C C 13 181.3110 0.0000 . 1 . . . . A 178 VAL C . 30820 1 1946 . 1 . 1 178 178 VAL CA C 13 63.6590 0.0000 . 1 . . . . A 178 VAL CA . 30820 1 1947 . 1 . 1 178 178 VAL CB C 13 33.5160 0.0000 . 1 . . . . A 178 VAL CB . 30820 1 1948 . 1 . 1 178 178 VAL CG1 C 13 22.1920 0.0000 . 2 . . . . A 178 VAL CG1 . 30820 1 1949 . 1 . 1 178 178 VAL CG2 C 13 20.5500 0.0000 . 2 . . . . A 178 VAL CG2 . 30820 1 1950 . 1 . 1 178 178 VAL N N 15 125.4520 0.0000 . 1 . . . . A 178 VAL N . 30820 1 1951 . 2 . 2 1 1 NAD C5B C 13 162.7373 0.0000 . 1 . . . . A 201 NAD C5B . 30820 1 1952 . 2 . 2 1 1 NAD C4B C 13 86.4508 0.0000 . 1 . . . . A 201 NAD C4B . 30820 1 1953 . 2 . 2 1 1 NAD C3B C 13 73.0063 0.0000 . 1 . . . . A 201 NAD C3B . 30820 1 1954 . 2 . 2 1 1 NAD C2B C 13 76.3573 0.0000 . 1 . . . . A 201 NAD C2B . 30820 1 1955 . 2 . 2 1 1 NAD C1B C 13 89.0823 0.0000 . 1 . . . . A 201 NAD C1B . 30820 1 1956 . 2 . 2 1 1 NAD C8A C 13 142.1738 0.0000 . 1 . . . . A 201 NAD C8A . 30820 1 1957 . 2 . 2 1 1 NAD C2A C 13 155.3908 0.0000 . 1 . . . . A 201 NAD C2A . 30820 1 1958 . 2 . 2 1 1 NAD C5D C 13 162.3475 0.0000 . 1 . . . . A 201 NAD C5D . 30820 1 1959 . 2 . 2 1 1 NAD C4D C 13 89.4989 0.0000 . 1 . . . . A 201 NAD C4D . 30820 1 1960 . 2 . 2 1 1 NAD C3D C 13 73.1320 0.0000 . 1 . . . . A 201 NAD C3D . 30820 1 1961 . 2 . 2 1 1 NAD C2D C 13 80.0984 0.0000 . 1 . . . . A 201 NAD C2D . 30820 1 1962 . 2 . 2 1 1 NAD C1D C 13 102.6305 0.0000 . 1 . . . . A 201 NAD C1D . 30820 1 1963 . 2 . 2 1 1 NAD C2N C 13 142.4335 0.0000 . 1 . . . . A 201 NAD C2N . 30820 1 1964 . 2 . 2 1 1 NAD C4N C 13 148.1857 0.0000 . 1 . . . . A 201 NAD C4N . 30820 1 1965 . 2 . 2 1 1 NAD C5N C 13 131.0773 0.0000 . 1 . . . . A 201 NAD C5N . 30820 1 1966 . 2 . 2 1 1 NAD C6N C 13 144.9399 0.0000 . 1 . . . . A 201 NAD C6N . 30820 1 1967 . 2 . 2 1 1 NAD H51A H 1 4.2081 0.0000 . 1 . . . . A 201 NAD H51A . 30820 1 1968 . 2 . 2 1 1 NAD H52A H 1 4.2580 0.0000 . 2 . . . . A 201 NAD H52A . 30820 1 1969 . 2 . 2 1 1 NAD H4B H 1 4.3696 0.0000 . 1 . . . . A 201 NAD H4B . 30820 1 1970 . 2 . 2 1 1 NAD H3B H 1 4.5017 0.0000 . 1 . . . . A 201 NAD H3B . 30820 1 1971 . 2 . 2 1 1 NAD H2B H 1 4.7519 0.0000 . 1 . . . . A 201 NAD H2B . 30820 1 1972 . 2 . 2 1 1 NAD H1B H 1 6.0125 0.0000 . 1 . . . . A 201 NAD H1B . 30820 1 1973 . 2 . 2 1 1 NAD H8A H 1 8.4291 0.0000 . 1 . . . . A 201 NAD H8A . 30820 1 1974 . 2 . 2 1 1 NAD H61A H 1 6.8530 0.0000 . 2 . . . . A 201 NAD H61A . 30820 1 1975 . 2 . 2 1 1 NAD H62A H 1 6.8530 0.0000 . 2 . . . . A 201 NAD H62A . 30820 1 1976 . 2 . 2 1 1 NAD H2A H 1 8.1486 0.0000 . 1 . . . . A 201 NAD H2A . 30820 1 1977 . 2 . 2 1 1 NAD H51N H 1 4.2198 0.0000 . 2 . . . . A 201 NAD H51N . 30820 1 1978 . 2 . 2 1 1 NAD H52N H 1 4.3631 0.0000 . 2 . . . . A 201 NAD H52N . 30820 1 1979 . 2 . 2 1 1 NAD H4D H 1 4.5320 0.0000 . 1 . . . . A 201 NAD H4D . 30820 1 1980 . 2 . 2 1 1 NAD H3D H 1 4.4170 0.0000 . 1 . . . . A 201 NAD H3D . 30820 1 1981 . 2 . 2 1 1 NAD H2D H 1 4.4710 0.0000 . 1 . . . . A 201 NAD H2D . 30820 1 1982 . 2 . 2 1 1 NAD H1D H 1 6.0744 0.0000 . 1 . . . . A 201 NAD H1D . 30820 1 1983 . 2 . 2 1 1 NAD H2N H 1 9.3124 0.0000 . 1 . . . . A 201 NAD H2N . 30820 1 1984 . 2 . 2 1 1 NAD H4N H 1 8.8234 0.0000 . 1 . . . . A 201 NAD H4N . 30820 1 1985 . 2 . 2 1 1 NAD H5N H 1 8.1744 0.0000 . 1 . . . . A 201 NAD H5N . 30820 1 1986 . 2 . 2 1 1 NAD H6N H 1 9.1222 0.0000 . 1 . . . . A 201 NAD H6N . 30820 1 stop_ save_