data_17595 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17595 _Entry.Title ; NMR resonance assignments for an archaeal homolog of the endonuclease Nob1 involved in ribosome biogenesis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-19 _Entry.Accession_date 2011-04-19 _Entry.Last_release_date 2011-04-19 _Entry.Original_release_date 2011-04-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Thomas Veith . . . . 17595 2 Jan Wurm . P. . . 17595 3 Elke Duchardt-Ferner . . . . 17595 4 Benjamin Weis . . . . 17595 5 Raoul Hennig . . . . 17595 6 Roman Martin . . . . 17595 7 Charlotta Safferthal . . . . 17595 8 Markus Bohnsack . T. . . 17595 9 Enrico Schleiff . . . . 17595 10 Jens Woehnert . . . . 17595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 704 17595 '15N chemical shifts' 160 17595 '1H chemical shifts' 1097 17595 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 . . 2012-08-20 2011-04-19 update BMRB 'update entry citation' 17595 1 . . 2011-12-14 2011-04-19 original author 'original release' 17595 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCQ 'BMRB Entry Tracking System' 17595 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17595 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22156373 _Citation.Full_citation . _Citation.Title ; Structural and functional analysis of the archaeal endonuclease Nob1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 40 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3259 _Citation.Page_last 3274 _Citation.Year 2012 _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 Thomas Veith . . . . 17595 1 2 Roman Martin . . . . 17595 1 3 Jan Wurm . P. . . 17595 1 4 Benjamin Weis . L. . . 17595 1 5 Elke Duchardt-Ferner . . . . 17595 1 6 Charlotta Safferthal . . . . 17595 1 7 Raoul Hennig . . . . 17595 1 8 Oliver Mirus . . . . 17595 1 9 Markus Bohnsack . T. . . 17595 1 10 Jens Wohnert . . . . 17595 1 11 Enrico Schleiff . . . . 17595 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '18S rRNA maturation' 17595 1 NMR-assignments 17595 1 Nob1 17595 1 'Triple resonance experiments' 17595 1 endonuclease 17595 1 'ribosome biogenesis' 17595 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17595 _Assembly.ID 1 _Assembly.Name Nob1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 PhNob1 1 $PhNob1 A . yes native no no . . . 17595 1 2 Zn 2 $ZN A . no native no no . . . 17595 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'C1A construct' 1 CYS 131 131 SG . 2 'Zinc ion' 2 ZN 1 1 ZN . . . . . . . . . . . . 17595 1 2 coordination single . 1 'C1A construct' 1 CYS 134 134 SG . 2 'Zinc ion' 2 ZN 1 1 ZN . . . . . . . . . . . . 17595 1 3 coordination single . 1 'C1A construct' 1 CYS 147 147 SG . 2 'Zinc ion' 2 ZN 1 1 ZN . . . . . . . . . . . . 17595 1 4 coordination single . 1 'C1A construct' 1 CYS 150 150 SG . 2 'Zinc ion' 2 ZN 1 1 ZN . . . . . . . . . . . . 17595 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 131 131 HG . 131 CYS HG 17595 1 2 . 1 1 CYS 134 134 HG . 134 CYS HG 17595 1 3 . 1 1 CYS 147 147 HG . 147 CYS HG 17595 1 4 . 1 1 CYS 150 150 HG . 150 CYS HG 17595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PhNob1 _Entity.Sf_category entity _Entity.Sf_framecode PhNob1 _Entity.Entry_ID 17595 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PhNob1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLRNLKKTLVLDSSVFIQGI DIEGYTTPSVVEEIKDRESK IFLESLISAGKVKIAEPSKE SIDRIIQVAKETGEVNELSK ADIEVLALAYELKGEIFSDD YNVQNIASLLGLRFRTLKRG IKKVIKWRYVCIGCGRKFST LPPGGVCPDCGSKVKLIPRK R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNA endonuclease' 17595 1 'ribosome assembly factor' 17595 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17595 1 2 . LEU . 17595 1 3 . ARG . 17595 1 4 . ASN . 17595 1 5 . LEU . 17595 1 6 . LYS . 17595 1 7 . LYS . 17595 1 8 . THR . 17595 1 9 . LEU . 17595 1 10 . VAL . 17595 1 11 . LEU . 17595 1 12 . ASP . 17595 1 13 . SER . 17595 1 14 . SER . 17595 1 15 . VAL . 17595 1 16 . PHE . 17595 1 17 . ILE . 17595 1 18 . GLN . 17595 1 19 . GLY . 17595 1 20 . ILE . 17595 1 21 . ASP . 17595 1 22 . ILE . 17595 1 23 . GLU . 17595 1 24 . GLY . 17595 1 25 . TYR . 17595 1 26 . THR . 17595 1 27 . THR . 17595 1 28 . PRO . 17595 1 29 . SER . 17595 1 30 . VAL . 17595 1 31 . VAL . 17595 1 32 . GLU . 17595 1 33 . GLU . 17595 1 34 . ILE . 17595 1 35 . LYS . 17595 1 36 . ASP . 17595 1 37 . ARG . 17595 1 38 . GLU . 17595 1 39 . SER . 17595 1 40 . LYS . 17595 1 41 . ILE . 17595 1 42 . PHE . 17595 1 43 . LEU . 17595 1 44 . GLU . 17595 1 45 . SER . 17595 1 46 . LEU . 17595 1 47 . ILE . 17595 1 48 . SER . 17595 1 49 . ALA . 17595 1 50 . GLY . 17595 1 51 . LYS . 17595 1 52 . VAL . 17595 1 53 . LYS . 17595 1 54 . ILE . 17595 1 55 . ALA . 17595 1 56 . GLU . 17595 1 57 . PRO . 17595 1 58 . SER . 17595 1 59 . LYS . 17595 1 60 . GLU . 17595 1 61 . SER . 17595 1 62 . ILE . 17595 1 63 . ASP . 17595 1 64 . ARG . 17595 1 65 . ILE . 17595 1 66 . ILE . 17595 1 67 . GLN . 17595 1 68 . VAL . 17595 1 69 . ALA . 17595 1 70 . LYS . 17595 1 71 . GLU . 17595 1 72 . THR . 17595 1 73 . GLY . 17595 1 74 . GLU . 17595 1 75 . VAL . 17595 1 76 . ASN . 17595 1 77 . GLU . 17595 1 78 . LEU . 17595 1 79 . SER . 17595 1 80 . LYS . 17595 1 81 . ALA . 17595 1 82 . ASP . 17595 1 83 . ILE . 17595 1 84 . GLU . 17595 1 85 . VAL . 17595 1 86 . LEU . 17595 1 87 . ALA . 17595 1 88 . LEU . 17595 1 89 . ALA . 17595 1 90 . TYR . 17595 1 91 . GLU . 17595 1 92 . LEU . 17595 1 93 . LYS . 17595 1 94 . GLY . 17595 1 95 . GLU . 17595 1 96 . ILE . 17595 1 97 . PHE . 17595 1 98 . SER . 17595 1 99 . ASP . 17595 1 100 . ASP . 17595 1 101 . TYR . 17595 1 102 . ASN . 17595 1 103 . VAL . 17595 1 104 . GLN . 17595 1 105 . ASN . 17595 1 106 . ILE . 17595 1 107 . ALA . 17595 1 108 . SER . 17595 1 109 . LEU . 17595 1 110 . LEU . 17595 1 111 . GLY . 17595 1 112 . LEU . 17595 1 113 . ARG . 17595 1 114 . PHE . 17595 1 115 . ARG . 17595 1 116 . THR . 17595 1 117 . LEU . 17595 1 118 . LYS . 17595 1 119 . ARG . 17595 1 120 . GLY . 17595 1 121 . ILE . 17595 1 122 . LYS . 17595 1 123 . LYS . 17595 1 124 . VAL . 17595 1 125 . ILE . 17595 1 126 . LYS . 17595 1 127 . TRP . 17595 1 128 . ARG . 17595 1 129 . TYR . 17595 1 130 . VAL . 17595 1 131 . CYS . 17595 1 132 . ILE . 17595 1 133 . GLY . 17595 1 134 . CYS . 17595 1 135 . GLY . 17595 1 136 . ARG . 17595 1 137 . LYS . 17595 1 138 . PHE . 17595 1 139 . SER . 17595 1 140 . THR . 17595 1 141 . LEU . 17595 1 142 . PRO . 17595 1 143 . PRO . 17595 1 144 . GLY . 17595 1 145 . GLY . 17595 1 146 . VAL . 17595 1 147 . CYS . 17595 1 148 . PRO . 17595 1 149 . ASP . 17595 1 150 . CYS . 17595 1 151 . GLY . 17595 1 152 . SER . 17595 1 153 . LYS . 17595 1 154 . VAL . 17595 1 155 . LYS . 17595 1 156 . LEU . 17595 1 157 . ILE . 17595 1 158 . PRO . 17595 1 159 . ARG . 17595 1 160 . LYS . 17595 1 161 . ARG . 17595 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17595 1 . LEU 2 2 17595 1 . ARG 3 3 17595 1 . ASN 4 4 17595 1 . LEU 5 5 17595 1 . LYS 6 6 17595 1 . LYS 7 7 17595 1 . THR 8 8 17595 1 . LEU 9 9 17595 1 . VAL 10 10 17595 1 . LEU 11 11 17595 1 . ASP 12 12 17595 1 . SER 13 13 17595 1 . SER 14 14 17595 1 . VAL 15 15 17595 1 . PHE 16 16 17595 1 . ILE 17 17 17595 1 . GLN 18 18 17595 1 . GLY 19 19 17595 1 . ILE 20 20 17595 1 . ASP 21 21 17595 1 . ILE 22 22 17595 1 . GLU 23 23 17595 1 . GLY 24 24 17595 1 . TYR 25 25 17595 1 . THR 26 26 17595 1 . THR 27 27 17595 1 . PRO 28 28 17595 1 . SER 29 29 17595 1 . VAL 30 30 17595 1 . VAL 31 31 17595 1 . GLU 32 32 17595 1 . GLU 33 33 17595 1 . ILE 34 34 17595 1 . LYS 35 35 17595 1 . ASP 36 36 17595 1 . ARG 37 37 17595 1 . GLU 38 38 17595 1 . SER 39 39 17595 1 . LYS 40 40 17595 1 . ILE 41 41 17595 1 . PHE 42 42 17595 1 . LEU 43 43 17595 1 . GLU 44 44 17595 1 . SER 45 45 17595 1 . LEU 46 46 17595 1 . ILE 47 47 17595 1 . SER 48 48 17595 1 . ALA 49 49 17595 1 . GLY 50 50 17595 1 . LYS 51 51 17595 1 . VAL 52 52 17595 1 . LYS 53 53 17595 1 . ILE 54 54 17595 1 . ALA 55 55 17595 1 . GLU 56 56 17595 1 . PRO 57 57 17595 1 . SER 58 58 17595 1 . LYS 59 59 17595 1 . GLU 60 60 17595 1 . SER 61 61 17595 1 . ILE 62 62 17595 1 . ASP 63 63 17595 1 . ARG 64 64 17595 1 . ILE 65 65 17595 1 . ILE 66 66 17595 1 . GLN 67 67 17595 1 . VAL 68 68 17595 1 . ALA 69 69 17595 1 . LYS 70 70 17595 1 . GLU 71 71 17595 1 . THR 72 72 17595 1 . GLY 73 73 17595 1 . GLU 74 74 17595 1 . VAL 75 75 17595 1 . ASN 76 76 17595 1 . GLU 77 77 17595 1 . LEU 78 78 17595 1 . SER 79 79 17595 1 . LYS 80 80 17595 1 . ALA 81 81 17595 1 . ASP 82 82 17595 1 . ILE 83 83 17595 1 . GLU 84 84 17595 1 . VAL 85 85 17595 1 . LEU 86 86 17595 1 . ALA 87 87 17595 1 . LEU 88 88 17595 1 . ALA 89 89 17595 1 . TYR 90 90 17595 1 . GLU 91 91 17595 1 . LEU 92 92 17595 1 . LYS 93 93 17595 1 . GLY 94 94 17595 1 . GLU 95 95 17595 1 . ILE 96 96 17595 1 . PHE 97 97 17595 1 . SER 98 98 17595 1 . ASP 99 99 17595 1 . ASP 100 100 17595 1 . TYR 101 101 17595 1 . ASN 102 102 17595 1 . VAL 103 103 17595 1 . GLN 104 104 17595 1 . ASN 105 105 17595 1 . ILE 106 106 17595 1 . ALA 107 107 17595 1 . SER 108 108 17595 1 . LEU 109 109 17595 1 . LEU 110 110 17595 1 . GLY 111 111 17595 1 . LEU 112 112 17595 1 . ARG 113 113 17595 1 . PHE 114 114 17595 1 . ARG 115 115 17595 1 . THR 116 116 17595 1 . LEU 117 117 17595 1 . LYS 118 118 17595 1 . ARG 119 119 17595 1 . GLY 120 120 17595 1 . ILE 121 121 17595 1 . LYS 122 122 17595 1 . LYS 123 123 17595 1 . VAL 124 124 17595 1 . ILE 125 125 17595 1 . LYS 126 126 17595 1 . TRP 127 127 17595 1 . ARG 128 128 17595 1 . TYR 129 129 17595 1 . VAL 130 130 17595 1 . CYS 131 131 17595 1 . ILE 132 132 17595 1 . GLY 133 133 17595 1 . CYS 134 134 17595 1 . GLY 135 135 17595 1 . ARG 136 136 17595 1 . LYS 137 137 17595 1 . PHE 138 138 17595 1 . SER 139 139 17595 1 . THR 140 140 17595 1 . LEU 141 141 17595 1 . PRO 142 142 17595 1 . PRO 143 143 17595 1 . GLY 144 144 17595 1 . GLY 145 145 17595 1 . VAL 146 146 17595 1 . CYS 147 147 17595 1 . PRO 148 148 17595 1 . ASP 149 149 17595 1 . CYS 150 150 17595 1 . GLY 151 151 17595 1 . SER 152 152 17595 1 . LYS 153 153 17595 1 . VAL 154 154 17595 1 . LYS 155 155 17595 1 . LEU 156 156 17595 1 . ILE 157 157 17595 1 . PRO 158 158 17595 1 . ARG 159 159 17595 1 . LYS 160 160 17595 1 . ARG 161 161 17595 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17595 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 17595 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 17595 _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 $PhNob1 . 53953 organism . 'Pyrococcus horikoshii' Euryarchaeotes . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . . 17595 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 17595 _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 $PhNob1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 17595 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17595 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Apr 20 14:47:40 2011 ; _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 InChI=1/Zn/q+2 InChI InChI 1.02b 17595 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17595 ZN [Zn++] SMILES CACTVS 3.341 17595 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17595 ZN [Zn+2] SMILES ACDLabs 10.04 17595 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17595 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17595 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17595 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17595 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17595 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 17595 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PhNob1 [U-15N] . . 1 $PhNob1 . . 0.4 . . mM . . . . 17595 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17595 1 3 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 17595 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17595 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17595 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17595 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 PhNob1 '[U-13C; U-15N]' . . 1 $PhNob1 . . 0.4 . . mM . . . . 17595 2 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17595 2 3 BisTris 'natural abundance' . . . . . . 50 . . mM . . . . 17595 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17595 2 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17595 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17595 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 83 . mM 17595 1 pH 6.2 . pH 17595 1 pressure 1 . atm 17595 1 temperature 310 . K 17595 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17595 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17595 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17595 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17595 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17595 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17595 2 'structure solution' 17595 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17595 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.8.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17595 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17595 3 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17595 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17595 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17595 4 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 17595 _Software.ID 5 _Software.Type . _Software.Name ATNOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17595 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17595 5 stop_ save_ save_CANDID _Software.Sf_category software _Software.Sf_framecode CANDID _Software.Entry_ID 17595 _Software.ID 6 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 17595 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17595 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17595 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17595 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17595 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 17595 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 17595 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17595 1 2 spectrometer_2 Bruker Avance . 600 . . . 17595 1 3 spectrometer_3 Bruker Avance . 800 . . . 17595 1 4 spectrometer_4 Bruker Avance . 900 . . . 17595 1 5 spectrometer_5 Bruker Avance . 950 . . . 17595 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 17595 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 4 '3D HNHA' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17595 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 17595 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 17595 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 17595 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 17595 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 17595 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17595 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17595 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17595 1 13 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17595 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 16 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17595 1 17 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17595 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17595 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17595 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17595 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 external indirect 0.25144954 'separate tube (no insert) similar to the experimental sample tube' . . . . 17595 1 H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . 17595 1 N 15 TSP 'methyl protons' . . . . ppm 0 external indirect 0.10132912 'separate tube (no insert) similar to the experimental sample tube' . . . . 17595 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17595 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 17595 1 2 '3D HNCO' . . . 17595 1 3 '3D HBHA(CO)NH' . . . 17595 1 4 '3D HNHA' . . . 17595 1 6 '3D CBCA(CO)NH' . . . 17595 1 8 '2D 1H-13C HSQC aromatic' . . . 17595 1 10 '2D 1H-13C HSQC aliphatic' . . . 17595 1 13 '3D HNCA' . . . 17595 1 15 '3D HCCH-TOCSY' . . . 17595 1 16 '3D HCCH-COSY' . . . 17595 1 17 '3D H(CCO)NH' . . . 17595 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ARG H H 1 8.384 0.020 . 1 . . . . . 3 ARG H . 17595 1 2 . 1 1 3 3 ARG HA H 1 4.341 0.020 . 1 . . . . . 3 ARG HA . 17595 1 3 . 1 1 3 3 ARG HB2 H 1 1.798 0.020 . 1 . . . . . 3 ARG HB2 . 17595 1 4 . 1 1 3 3 ARG HB3 H 1 1.798 0.020 . 1 . . . . . 3 ARG HB3 . 17595 1 5 . 1 1 3 3 ARG C C 13 175.508 0.3 . 1 . . . . . 3 ARG C . 17595 1 6 . 1 1 3 3 ARG CA C 13 55.834 0.3 . 1 . . . . . 3 ARG CA . 17595 1 7 . 1 1 3 3 ARG CB C 13 30.948 0.3 . 1 . . . . . 3 ARG CB . 17595 1 8 . 1 1 3 3 ARG N N 15 122.107 0.3 . 1 . . . . . 3 ARG N . 17595 1 9 . 1 1 4 4 ASN H H 1 8.411 0.020 . 1 . . . . . 4 ASN H . 17595 1 10 . 1 1 4 4 ASN HA H 1 4.673 0.020 . 1 . . . . . 4 ASN HA . 17595 1 11 . 1 1 4 4 ASN HB2 H 1 2.840 0.020 . 2 . . . . . 4 ASN HB2 . 17595 1 12 . 1 1 4 4 ASN HB3 H 1 2.737 0.020 . 2 . . . . . 4 ASN HB3 . 17595 1 13 . 1 1 4 4 ASN HD21 H 1 7.544 0.020 . 1 . . . . . 4 ASN HD21 . 17595 1 14 . 1 1 4 4 ASN HD22 H 1 6.842 0.020 . 1 . . . . . 4 ASN HD22 . 17595 1 15 . 1 1 4 4 ASN C C 13 174.798 0.3 . 1 . . . . . 4 ASN C . 17595 1 16 . 1 1 4 4 ASN CA C 13 52.978 0.3 . 1 . . . . . 4 ASN CA . 17595 1 17 . 1 1 4 4 ASN CB C 13 38.445 0.3 . 1 . . . . . 4 ASN CB . 17595 1 18 . 1 1 4 4 ASN N N 15 119.629 0.3 . 1 . . . . . 4 ASN N . 17595 1 19 . 1 1 4 4 ASN ND2 N 15 112.284 0.3 . 1 . . . . . 4 ASN ND2 . 17595 1 20 . 1 1 5 5 LEU H H 1 8.157 0.020 . 1 . . . . . 5 LEU H . 17595 1 21 . 1 1 5 5 LEU HA H 1 4.335 0.020 . 1 . . . . . 5 LEU HA . 17595 1 22 . 1 1 5 5 LEU HB2 H 1 1.605 0.020 . 2 . . . . . 5 LEU HB2 . 17595 1 23 . 1 1 5 5 LEU HB3 H 1 1.583 0.020 . 2 . . . . . 5 LEU HB3 . 17595 1 24 . 1 1 5 5 LEU C C 13 177.074 0.3 . 1 . . . . . 5 LEU C . 17595 1 25 . 1 1 5 5 LEU CA C 13 55.120 0.3 . 1 . . . . . 5 LEU CA . 17595 1 26 . 1 1 5 5 LEU CB C 13 42.271 0.3 . 1 . . . . . 5 LEU CB . 17595 1 27 . 1 1 5 5 LEU CG C 13 26.869 0.3 . 1 . . . . . 5 LEU CG . 17595 1 28 . 1 1 5 5 LEU CD1 C 13 24.739 0.3 . 1 . . . . . 5 LEU CD1 . 17595 1 29 . 1 1 5 5 LEU CD2 C 13 23.474 0.3 . 1 . . . . . 5 LEU CD2 . 17595 1 30 . 1 1 5 5 LEU N N 15 122.833 0.3 . 1 . . . . . 5 LEU N . 17595 1 31 . 1 1 6 6 LYS H H 1 8.208 0.020 . 1 . . . . . 6 LYS H . 17595 1 32 . 1 1 6 6 LYS HA H 1 4.317 0.020 . 1 . . . . . 6 LYS HA . 17595 1 33 . 1 1 6 6 LYS HB2 H 1 1.761 0.020 . 2 . . . . . 6 LYS HB2 . 17595 1 34 . 1 1 6 6 LYS HB3 H 1 1.829 0.020 . 2 . . . . . 6 LYS HB3 . 17595 1 35 . 1 1 6 6 LYS HG2 H 1 1.458 0.020 . 2 . . . . . 6 LYS HG2 . 17595 1 36 . 1 1 6 6 LYS HG3 H 1 1.407 0.020 . 2 . . . . . 6 LYS HG3 . 17595 1 37 . 1 1 6 6 LYS HD2 H 1 1.301 0.020 . 1 . . . . . 6 LYS HD2 . 17595 1 38 . 1 1 6 6 LYS HE2 H 1 3.001 0.020 . 2 . . . . . 6 LYS HE2 . 17595 1 39 . 1 1 6 6 LYS HE3 H 1 3.034 0.020 . 2 . . . . . 6 LYS HE3 . 17595 1 40 . 1 1 6 6 LYS C C 13 176.257 0.3 . 1 . . . . . 6 LYS C . 17595 1 41 . 1 1 6 6 LYS CA C 13 56.177 0.3 . 1 . . . . . 6 LYS CA . 17595 1 42 . 1 1 6 6 LYS CB C 13 33.094 0.3 . 1 . . . . . 6 LYS CB . 17595 1 43 . 1 1 6 6 LYS CG C 13 24.727 0.3 . 1 . . . . . 6 LYS CG . 17595 1 44 . 1 1 6 6 LYS CD C 13 28.834 0.3 . 1 . . . . . 6 LYS CD . 17595 1 45 . 1 1 6 6 LYS CE C 13 42.244 0.3 . 1 . . . . . 6 LYS CE . 17595 1 46 . 1 1 6 6 LYS N N 15 121.843 0.3 . 1 . . . . . 6 LYS N . 17595 1 47 . 1 1 7 7 LYS H H 1 8.211 0.020 . 1 . . . . . 7 LYS H . 17595 1 48 . 1 1 7 7 LYS HA H 1 4.428 0.020 . 1 . . . . . 7 LYS HA . 17595 1 49 . 1 1 7 7 LYS HB2 H 1 1.807 0.020 . 2 . . . . . 7 LYS HB2 . 17595 1 50 . 1 1 7 7 LYS HB3 H 1 1.742 0.020 . 2 . . . . . 7 LYS HB3 . 17595 1 51 . 1 1 7 7 LYS C C 13 176.315 0.3 . 1 . . . . . 7 LYS C . 17595 1 52 . 1 1 7 7 LYS CA C 13 55.791 0.3 . 1 . . . . . 7 LYS CA . 17595 1 53 . 1 1 7 7 LYS CB C 13 33.082 0.3 . 1 . . . . . 7 LYS CB . 17595 1 54 . 1 1 7 7 LYS CG C 13 24.560 0.3 . 1 . . . . . 7 LYS CG . 17595 1 55 . 1 1 7 7 LYS CD C 13 28.832 0.3 . 1 . . . . . 7 LYS CD . 17595 1 56 . 1 1 7 7 LYS CE C 13 42.067 0.3 . 1 . . . . . 7 LYS CE . 17595 1 57 . 1 1 7 7 LYS N N 15 122.500 0.3 . 1 . . . . . 7 LYS N . 17595 1 58 . 1 1 8 8 THR H H 1 8.402 0.020 . 1 . . . . . 8 THR H . 17595 1 59 . 1 1 8 8 THR HA H 1 4.257 0.020 . 1 . . . . . 8 THR HA . 17595 1 60 . 1 1 8 8 THR HB H 1 3.965 0.020 . 1 . . . . . 8 THR HB . 17595 1 61 . 1 1 8 8 THR HG21 H 1 1.081 0.020 . 1 . . . . . 8 THR HG2 . 17595 1 62 . 1 1 8 8 THR HG22 H 1 1.081 0.020 . 1 . . . . . 8 THR HG2 . 17595 1 63 . 1 1 8 8 THR HG23 H 1 1.081 0.020 . 1 . . . . . 8 THR HG2 . 17595 1 64 . 1 1 8 8 THR C C 13 172.367 0.3 . 1 . . . . . 8 THR C . 17595 1 65 . 1 1 8 8 THR CA C 13 62.856 0.3 . 1 . . . . . 8 THR CA . 17595 1 66 . 1 1 8 8 THR CB C 13 69.470 0.3 . 1 . . . . . 8 THR CB . 17595 1 67 . 1 1 8 8 THR CG2 C 13 22.558 0.3 . 1 . . . . . 8 THR CG2 . 17595 1 68 . 1 1 8 8 THR N N 15 119.414 0.3 . 1 . . . . . 8 THR N . 17595 1 69 . 1 1 9 9 LEU H H 1 8.322 0.020 . 1 . . . . . 9 LEU H . 17595 1 70 . 1 1 9 9 LEU HA H 1 5.114 0.020 . 1 . . . . . 9 LEU HA . 17595 1 71 . 1 1 9 9 LEU HB2 H 1 1.744 0.020 . 2 . . . . . 9 LEU HB2 . 17595 1 72 . 1 1 9 9 LEU HB3 H 1 1.630 0.020 . 2 . . . . . 9 LEU HB3 . 17595 1 73 . 1 1 9 9 LEU HG H 1 1.631 0.020 . 1 . . . . . 9 LEU HG . 17595 1 74 . 1 1 9 9 LEU HD11 H 1 0.863 0.020 . 1 . . . . . 9 LEU HD1 . 17595 1 75 . 1 1 9 9 LEU HD12 H 1 0.863 0.020 . 1 . . . . . 9 LEU HD1 . 17595 1 76 . 1 1 9 9 LEU HD13 H 1 0.863 0.020 . 1 . . . . . 9 LEU HD1 . 17595 1 77 . 1 1 9 9 LEU C C 13 175.069 0.3 . 1 . . . . . 9 LEU C . 17595 1 78 . 1 1 9 9 LEU CA C 13 53.799 0.3 . 1 . . . . . 9 LEU CA . 17595 1 79 . 1 1 9 9 LEU CB C 13 44.586 0.3 . 1 . . . . . 9 LEU CB . 17595 1 80 . 1 1 9 9 LEU CG C 13 27.189 0.3 . 1 . . . . . 9 LEU CG . 17595 1 81 . 1 1 9 9 LEU CD1 C 13 25.251 0.3 . 1 . . . . . 9 LEU CD1 . 17595 1 82 . 1 1 9 9 LEU N N 15 128.282 0.3 . 1 . . . . . 9 LEU N . 17595 1 83 . 1 1 10 10 VAL H H 1 9.179 0.020 . 1 . . . . . 10 VAL H . 17595 1 84 . 1 1 10 10 VAL HA H 1 4.903 0.020 . 1 . . . . . 10 VAL HA . 17595 1 85 . 1 1 10 10 VAL HB H 1 1.876 0.020 . 1 . . . . . 10 VAL HB . 17595 1 86 . 1 1 10 10 VAL HG11 H 1 1.214 0.020 . 1 . . . . . 10 VAL HG1 . 17595 1 87 . 1 1 10 10 VAL HG12 H 1 1.214 0.020 . 1 . . . . . 10 VAL HG1 . 17595 1 88 . 1 1 10 10 VAL HG13 H 1 1.214 0.020 . 1 . . . . . 10 VAL HG1 . 17595 1 89 . 1 1 10 10 VAL HG21 H 1 0.768 0.020 . 1 . . . . . 10 VAL HG2 . 17595 1 90 . 1 1 10 10 VAL HG22 H 1 0.768 0.020 . 1 . . . . . 10 VAL HG2 . 17595 1 91 . 1 1 10 10 VAL HG23 H 1 0.768 0.020 . 1 . . . . . 10 VAL HG2 . 17595 1 92 . 1 1 10 10 VAL C C 13 174.080 0.3 . 1 . . . . . 10 VAL C . 17595 1 93 . 1 1 10 10 VAL CA C 13 61.651 0.3 . 1 . . . . . 10 VAL CA . 17595 1 94 . 1 1 10 10 VAL CB C 13 32.924 0.3 . 1 . . . . . 10 VAL CB . 17595 1 95 . 1 1 10 10 VAL CG1 C 13 22.689 0.3 . 1 . . . . . 10 VAL CG1 . 17595 1 96 . 1 1 10 10 VAL CG2 C 13 21.205 0.3 . 1 . . . . . 10 VAL CG2 . 17595 1 97 . 1 1 10 10 VAL N N 15 124.869 0.3 . 1 . . . . . 10 VAL N . 17595 1 98 . 1 1 11 11 LEU H H 1 9.212 0.020 . 1 . . . . . 11 LEU H . 17595 1 99 . 1 1 11 11 LEU HA H 1 4.692 0.020 . 1 . . . . . 11 LEU HA . 17595 1 100 . 1 1 11 11 LEU HB2 H 1 1.914 0.020 . 2 . . . . . 11 LEU HB2 . 17595 1 101 . 1 1 11 11 LEU HB3 H 1 1.217 0.020 . 2 . . . . . 11 LEU HB3 . 17595 1 102 . 1 1 11 11 LEU HG H 1 0.808 0.020 . 1 . . . . . 11 LEU HG . 17595 1 103 . 1 1 11 11 LEU HD11 H 1 0.812 0.020 . 1 . . . . . 11 LEU HD1 . 17595 1 104 . 1 1 11 11 LEU HD12 H 1 0.812 0.020 . 1 . . . . . 11 LEU HD1 . 17595 1 105 . 1 1 11 11 LEU HD13 H 1 0.812 0.020 . 1 . . . . . 11 LEU HD1 . 17595 1 106 . 1 1 11 11 LEU HD21 H 1 0.633 0.020 . 1 . . . . . 11 LEU HD2 . 17595 1 107 . 1 1 11 11 LEU HD22 H 1 0.633 0.020 . 1 . . . . . 11 LEU HD2 . 17595 1 108 . 1 1 11 11 LEU HD23 H 1 0.633 0.020 . 1 . . . . . 11 LEU HD2 . 17595 1 109 . 1 1 11 11 LEU C C 13 175.111 0.3 . 1 . . . . . 11 LEU C . 17595 1 110 . 1 1 11 11 LEU CA C 13 54.105 0.3 . 1 . . . . . 11 LEU CA . 17595 1 111 . 1 1 11 11 LEU CB C 13 43.734 0.3 . 1 . . . . . 11 LEU CB . 17595 1 112 . 1 1 11 11 LEU CG C 13 26.598 0.3 . 1 . . . . . 11 LEU CG . 17595 1 113 . 1 1 11 11 LEU CD1 C 13 24.427 0.3 . 1 . . . . . 11 LEU CD1 . 17595 1 114 . 1 1 11 11 LEU CD2 C 13 22.864 0.3 . 1 . . . . . 11 LEU CD2 . 17595 1 115 . 1 1 11 11 LEU N N 15 126.916 0.3 . 1 . . . . . 11 LEU N . 17595 1 116 . 1 1 12 12 ASP H H 1 7.588 0.020 . 1 . . . . . 12 ASP H . 17595 1 117 . 1 1 12 12 ASP HA H 1 5.076 0.020 . 1 . . . . . 12 ASP HA . 17595 1 118 . 1 1 12 12 ASP HB2 H 1 3.415 0.020 . 2 . . . . . 12 ASP HB2 . 17595 1 119 . 1 1 12 12 ASP HB3 H 1 2.828 0.020 . 2 . . . . . 12 ASP HB3 . 17595 1 120 . 1 1 12 12 ASP C C 13 175.793 0.3 . 1 . . . . . 12 ASP C . 17595 1 121 . 1 1 12 12 ASP CA C 13 51.604 0.3 . 1 . . . . . 12 ASP CA . 17595 1 122 . 1 1 12 12 ASP CB C 13 41.963 0.3 . 1 . . . . . 12 ASP CB . 17595 1 123 . 1 1 12 12 ASP N N 15 122.119 0.3 . 1 . . . . . 12 ASP N . 17595 1 124 . 1 1 13 13 SER H H 1 8.745 0.020 . 1 . . . . . 13 SER H . 17595 1 125 . 1 1 13 13 SER HA H 1 4.082 0.020 . 1 . . . . . 13 SER HA . 17595 1 126 . 1 1 13 13 SER HB2 H 1 3.957 0.020 . 1 . . . . . 13 SER HB2 . 17595 1 127 . 1 1 13 13 SER HB3 H 1 3.957 0.020 . 1 . . . . . 13 SER HB3 . 17595 1 128 . 1 1 13 13 SER C C 13 176.361 0.3 . 1 . . . . . 13 SER C . 17595 1 129 . 1 1 13 13 SER CA C 13 61.824 0.3 . 1 . . . . . 13 SER CA . 17595 1 130 . 1 1 13 13 SER CB C 13 62.834 0.3 . 1 . . . . . 13 SER CB . 17595 1 131 . 1 1 13 13 SER N N 15 110.901 0.3 . 1 . . . . . 13 SER N . 17595 1 132 . 1 1 14 14 SER H H 1 7.954 0.020 . 1 . . . . . 14 SER H . 17595 1 133 . 1 1 14 14 SER HA H 1 4.072 0.020 . 1 . . . . . 14 SER HA . 17595 1 134 . 1 1 14 14 SER HB2 H 1 3.829 0.020 . 1 . . . . . 14 SER HB2 . 17595 1 135 . 1 1 14 14 SER HB3 H 1 3.829 0.020 . 1 . . . . . 14 SER HB3 . 17595 1 136 . 1 1 14 14 SER C C 13 175.744 0.3 . 1 . . . . . 14 SER C . 17595 1 137 . 1 1 14 14 SER CA C 13 61.501 0.3 . 1 . . . . . 14 SER CA . 17595 1 138 . 1 1 14 14 SER CB C 13 62.791 0.3 . 1 . . . . . 14 SER CB . 17595 1 139 . 1 1 14 14 SER N N 15 116.918 0.3 . 1 . . . . . 14 SER N . 17595 1 140 . 1 1 15 15 VAL H H 1 7.119 0.020 . 1 . . . . . 15 VAL H . 17595 1 141 . 1 1 15 15 VAL HA H 1 3.210 0.020 . 1 . . . . . 15 VAL HA . 17595 1 142 . 1 1 15 15 VAL HB H 1 1.314 0.020 . 1 . . . . . 15 VAL HB . 17595 1 143 . 1 1 15 15 VAL HG11 H 1 0.371 0.020 . 1 . . . . . 15 VAL HG1 . 17595 1 144 . 1 1 15 15 VAL HG12 H 1 0.371 0.020 . 1 . . . . . 15 VAL HG1 . 17595 1 145 . 1 1 15 15 VAL HG13 H 1 0.371 0.020 . 1 . . . . . 15 VAL HG1 . 17595 1 146 . 1 1 15 15 VAL HG21 H 1 0.268 0.020 . 1 . . . . . 15 VAL HG2 . 17595 1 147 . 1 1 15 15 VAL HG22 H 1 0.268 0.020 . 1 . . . . . 15 VAL HG2 . 17595 1 148 . 1 1 15 15 VAL HG23 H 1 0.268 0.020 . 1 . . . . . 15 VAL HG2 . 17595 1 149 . 1 1 15 15 VAL C C 13 176.183 0.3 . 1 . . . . . 15 VAL C . 17595 1 150 . 1 1 15 15 VAL CA C 13 65.279 0.3 . 1 . . . . . 15 VAL CA . 17595 1 151 . 1 1 15 15 VAL CB C 13 31.317 0.3 . 1 . . . . . 15 VAL CB . 17595 1 152 . 1 1 15 15 VAL CG1 C 13 22.310 0.3 . 1 . . . . . 15 VAL CG1 . 17595 1 153 . 1 1 15 15 VAL CG2 C 13 21.516 0.3 . 1 . . . . . 15 VAL CG2 . 17595 1 154 . 1 1 15 15 VAL N N 15 120.289 0.3 . 1 . . . . . 15 VAL N . 17595 1 155 . 1 1 16 16 PHE H H 1 6.530 0.020 . 1 . . . . . 16 PHE H . 17595 1 156 . 1 1 16 16 PHE HA H 1 4.604 0.020 . 1 . . . . . 16 PHE HA . 17595 1 157 . 1 1 16 16 PHE HB2 H 1 3.384 0.020 . 2 . . . . . 16 PHE HB2 . 17595 1 158 . 1 1 16 16 PHE HB3 H 1 2.892 0.020 . 2 . . . . . 16 PHE HB3 . 17595 1 159 . 1 1 16 16 PHE HD1 H 1 7.101 0.020 . 1 . . . . . 16 PHE HD1 . 17595 1 160 . 1 1 16 16 PHE HD2 H 1 7.101 0.020 . 1 . . . . . 16 PHE HD2 . 17595 1 161 . 1 1 16 16 PHE HE1 H 1 7.149 0.020 . 1 . . . . . 16 PHE HE1 . 17595 1 162 . 1 1 16 16 PHE HE2 H 1 7.149 0.020 . 1 . . . . . 16 PHE HE2 . 17595 1 163 . 1 1 16 16 PHE HZ H 1 6.944 0.020 . 1 . . . . . 16 PHE HZ . 17595 1 164 . 1 1 16 16 PHE C C 13 178.054 0.3 . 1 . . . . . 16 PHE C . 17595 1 165 . 1 1 16 16 PHE CA C 13 59.362 0.3 . 1 . . . . . 16 PHE CA . 17595 1 166 . 1 1 16 16 PHE CB C 13 38.515 0.3 . 1 . . . . . 16 PHE CB . 17595 1 167 . 1 1 16 16 PHE CD1 C 13 130.883 0.3 . 1 . . . . . 16 PHE CD1 . 17595 1 168 . 1 1 16 16 PHE CE1 C 13 132.039 0.3 . 1 . . . . . 16 PHE CE1 . 17595 1 169 . 1 1 16 16 PHE CZ C 13 130.039 0.3 . 1 . . . . . 16 PHE CZ . 17595 1 170 . 1 1 16 16 PHE N N 15 116.759 0.3 . 1 . . . . . 16 PHE N . 17595 1 171 . 1 1 17 17 ILE H H 1 8.048 0.020 . 1 . . . . . 17 ILE H . 17595 1 172 . 1 1 17 17 ILE HA H 1 4.142 0.020 . 1 . . . . . 17 ILE HA . 17595 1 173 . 1 1 17 17 ILE HB H 1 1.804 0.020 . 1 . . . . . 17 ILE HB . 17595 1 174 . 1 1 17 17 ILE HG12 H 1 1.621 0.020 . 2 . . . . . 17 ILE HG12 . 17595 1 175 . 1 1 17 17 ILE HG13 H 1 1.322 0.020 . 2 . . . . . 17 ILE HG13 . 17595 1 176 . 1 1 17 17 ILE HG21 H 1 0.914 0.020 . 1 . . . . . 17 ILE HG2 . 17595 1 177 . 1 1 17 17 ILE HG22 H 1 0.914 0.020 . 1 . . . . . 17 ILE HG2 . 17595 1 178 . 1 1 17 17 ILE HG23 H 1 0.914 0.020 . 1 . . . . . 17 ILE HG2 . 17595 1 179 . 1 1 17 17 ILE HD11 H 1 0.614 0.020 . 1 . . . . . 17 ILE HD1 . 17595 1 180 . 1 1 17 17 ILE HD12 H 1 0.614 0.020 . 1 . . . . . 17 ILE HD1 . 17595 1 181 . 1 1 17 17 ILE HD13 H 1 0.614 0.020 . 1 . . . . . 17 ILE HD1 . 17595 1 182 . 1 1 17 17 ILE C C 13 177.365 0.3 . 1 . . . . . 17 ILE C . 17595 1 183 . 1 1 17 17 ILE CA C 13 63.006 0.3 . 1 . . . . . 17 ILE CA . 17595 1 184 . 1 1 17 17 ILE CB C 13 38.467 0.3 . 1 . . . . . 17 ILE CB . 17595 1 185 . 1 1 17 17 ILE CG1 C 13 28.510 0.3 . 1 . . . . . 17 ILE CG1 . 17595 1 186 . 1 1 17 17 ILE CG2 C 13 17.432 0.3 . 1 . . . . . 17 ILE CG2 . 17595 1 187 . 1 1 17 17 ILE CD1 C 13 12.674 0.3 . 1 . . . . . 17 ILE CD1 . 17595 1 188 . 1 1 17 17 ILE N N 15 119.975 0.3 . 1 . . . . . 17 ILE N . 17595 1 189 . 1 1 18 18 GLN H H 1 7.532 0.020 . 1 . . . . . 18 GLN H . 17595 1 190 . 1 1 18 18 GLN HA H 1 4.045 0.020 . 1 . . . . . 18 GLN HA . 17595 1 191 . 1 1 18 18 GLN HB2 H 1 2.138 0.020 . 2 . . . . . 18 GLN HB2 . 17595 1 192 . 1 1 18 18 GLN HB3 H 1 1.992 0.020 . 2 . . . . . 18 GLN HB3 . 17595 1 193 . 1 1 18 18 GLN HG2 H 1 2.425 0.020 . 2 . . . . . 18 GLN HG2 . 17595 1 194 . 1 1 18 18 GLN HG3 H 1 2.281 0.020 . 2 . . . . . 18 GLN HG3 . 17595 1 195 . 1 1 18 18 GLN HE21 H 1 7.275 0.020 . 1 . . . . . 18 GLN HE21 . 17595 1 196 . 1 1 18 18 GLN HE22 H 1 6.951 0.020 . 1 . . . . . 18 GLN HE22 . 17595 1 197 . 1 1 18 18 GLN C C 13 176.283 0.3 . 1 . . . . . 18 GLN C . 17595 1 198 . 1 1 18 18 GLN CA C 13 56.142 0.3 . 1 . . . . . 18 GLN CA . 17595 1 199 . 1 1 18 18 GLN CB C 13 28.910 0.3 . 1 . . . . . 18 GLN CB . 17595 1 200 . 1 1 18 18 GLN CG C 13 34.681 0.3 . 1 . . . . . 18 GLN CG . 17595 1 201 . 1 1 18 18 GLN N N 15 115.636 0.3 . 1 . . . . . 18 GLN N . 17595 1 202 . 1 1 18 18 GLN NE2 N 15 111.377 0.3 . 1 . . . . . 18 GLN NE2 . 17595 1 203 . 1 1 19 19 GLY H H 1 7.281 0.020 . 1 . . . . . 19 GLY H . 17595 1 204 . 1 1 19 19 GLY HA2 H 1 2.583 0.020 . 2 . . . . . 19 GLY HA2 . 17595 1 205 . 1 1 19 19 GLY HA3 H 1 3.317 0.020 . 2 . . . . . 19 GLY HA3 . 17595 1 206 . 1 1 19 19 GLY C C 13 173.840 0.3 . 1 . . . . . 19 GLY C . 17595 1 207 . 1 1 19 19 GLY CA C 13 46.342 0.3 . 1 . . . . . 19 GLY CA . 17595 1 208 . 1 1 19 19 GLY N N 15 107.893 0.3 . 1 . . . . . 19 GLY N . 17595 1 209 . 1 1 20 20 ILE H H 1 7.503 0.020 . 1 . . . . . 20 ILE H . 17595 1 210 . 1 1 20 20 ILE HA H 1 3.865 0.020 . 1 . . . . . 20 ILE HA . 17595 1 211 . 1 1 20 20 ILE HB H 1 1.743 0.020 . 1 . . . . . 20 ILE HB . 17595 1 212 . 1 1 20 20 ILE HG12 H 1 1.282 0.020 . 2 . . . . . 20 ILE HG12 . 17595 1 213 . 1 1 20 20 ILE HG13 H 1 1.032 0.020 . 2 . . . . . 20 ILE HG13 . 17595 1 214 . 1 1 20 20 ILE HG21 H 1 0.741 0.020 . 1 . . . . . 20 ILE HG2 . 17595 1 215 . 1 1 20 20 ILE HG22 H 1 0.741 0.020 . 1 . . . . . 20 ILE HG2 . 17595 1 216 . 1 1 20 20 ILE HG23 H 1 0.741 0.020 . 1 . . . . . 20 ILE HG2 . 17595 1 217 . 1 1 20 20 ILE HD11 H 1 0.710 0.020 . 1 . . . . . 20 ILE HD1 . 17595 1 218 . 1 1 20 20 ILE HD12 H 1 0.710 0.020 . 1 . . . . . 20 ILE HD1 . 17595 1 219 . 1 1 20 20 ILE HD13 H 1 0.710 0.020 . 1 . . . . . 20 ILE HD1 . 17595 1 220 . 1 1 20 20 ILE C C 13 173.299 0.3 . 1 . . . . . 20 ILE C . 17595 1 221 . 1 1 20 20 ILE CA C 13 60.577 0.3 . 1 . . . . . 20 ILE CA . 17595 1 222 . 1 1 20 20 ILE CB C 13 37.635 0.3 . 1 . . . . . 20 ILE CB . 17595 1 223 . 1 1 20 20 ILE CG1 C 13 27.182 0.3 . 1 . . . . . 20 ILE CG1 . 17595 1 224 . 1 1 20 20 ILE CG2 C 13 17.180 0.3 . 1 . . . . . 20 ILE CG2 . 17595 1 225 . 1 1 20 20 ILE CD1 C 13 12.853 0.3 . 1 . . . . . 20 ILE CD1 . 17595 1 226 . 1 1 20 20 ILE N N 15 120.508 0.3 . 1 . . . . . 20 ILE N . 17595 1 227 . 1 1 21 21 ASP H H 1 8.054 0.020 . 1 . . . . . 21 ASP H . 17595 1 228 . 1 1 21 21 ASP HA H 1 4.538 0.020 . 1 . . . . . 21 ASP HA . 17595 1 229 . 1 1 21 21 ASP HB2 H 1 2.836 0.020 . 1 . . . . . 21 ASP HB2 . 17595 1 230 . 1 1 21 21 ASP HB3 H 1 2.836 0.020 . 2 . . . . . 21 ASP HB3 . 17595 1 231 . 1 1 21 21 ASP C C 13 174.456 0.3 . 1 . . . . . 21 ASP C . 17595 1 232 . 1 1 21 21 ASP CA C 13 54.166 0.3 . 1 . . . . . 21 ASP CA . 17595 1 233 . 1 1 21 21 ASP CB C 13 40.834 0.3 . 1 . . . . . 21 ASP CB . 17595 1 234 . 1 1 21 21 ASP N N 15 124.953 0.3 . 1 . . . . . 21 ASP N . 17595 1 235 . 1 1 22 22 ILE H H 1 7.275 0.020 . 1 . . . . . 22 ILE H . 17595 1 236 . 1 1 22 22 ILE HA H 1 4.362 0.020 . 1 . . . . . 22 ILE HA . 17595 1 237 . 1 1 22 22 ILE HB H 1 1.536 0.020 . 1 . . . . . 22 ILE HB . 17595 1 238 . 1 1 22 22 ILE HG12 H 1 1.507 0.020 . 2 . . . . . 22 ILE HG12 . 17595 1 239 . 1 1 22 22 ILE HG13 H 1 1.187 0.020 . 2 . . . . . 22 ILE HG13 . 17595 1 240 . 1 1 22 22 ILE HG21 H 1 0.578 0.020 . 1 . . . . . 22 ILE HG2 . 17595 1 241 . 1 1 22 22 ILE HG22 H 1 0.578 0.020 . 1 . . . . . 22 ILE HG2 . 17595 1 242 . 1 1 22 22 ILE HG23 H 1 0.578 0.020 . 1 . . . . . 22 ILE HG2 . 17595 1 243 . 1 1 22 22 ILE HD11 H 1 0.726 0.020 . 1 . . . . . 22 ILE HD1 . 17595 1 244 . 1 1 22 22 ILE HD12 H 1 0.726 0.020 . 1 . . . . . 22 ILE HD1 . 17595 1 245 . 1 1 22 22 ILE HD13 H 1 0.726 0.020 . 1 . . . . . 22 ILE HD1 . 17595 1 246 . 1 1 22 22 ILE C C 13 170.755 0.3 . 1 . . . . . 22 ILE C . 17595 1 247 . 1 1 22 22 ILE CA C 13 59.233 0.3 . 1 . . . . . 22 ILE CA . 17595 1 248 . 1 1 22 22 ILE CB C 13 41.728 0.3 . 1 . . . . . 22 ILE CB . 17595 1 249 . 1 1 22 22 ILE CG1 C 13 28.774 0.3 . 1 . . . . . 22 ILE CG1 . 17595 1 250 . 1 1 22 22 ILE CG2 C 13 16.899 0.3 . 1 . . . . . 22 ILE CG2 . 17595 1 251 . 1 1 22 22 ILE CD1 C 13 15.007 0.3 . 1 . . . . . 22 ILE CD1 . 17595 1 252 . 1 1 22 22 ILE N N 15 125.491 0.3 . 1 . . . . . 22 ILE N . 17595 1 253 . 1 1 23 23 GLU H H 1 7.014 0.020 . 1 . . . . . 23 GLU H . 17595 1 254 . 1 1 23 23 GLU HA H 1 4.702 0.020 . 1 . . . . . 23 GLU HA . 17595 1 255 . 1 1 23 23 GLU HB2 H 1 2.038 0.020 . 1 . . . . . 23 GLU HB2 . 17595 1 256 . 1 1 23 23 GLU HB3 H 1 2.038 0.020 . 2 . . . . . 23 GLU HB3 . 17595 1 257 . 1 1 23 23 GLU C C 13 176.511 0.3 . 1 . . . . . 23 GLU C . 17595 1 258 . 1 1 23 23 GLU CA C 13 54.291 0.3 . 1 . . . . . 23 GLU CA . 17595 1 259 . 1 1 23 23 GLU CB C 13 32.242 0.3 . 1 . . . . . 23 GLU CB . 17595 1 260 . 1 1 23 23 GLU N N 15 118.789 0.3 . 1 . . . . . 23 GLU N . 17595 1 261 . 1 1 24 24 GLY H H 1 8.100 0.020 . 1 . . . . . 24 GLY H . 17595 1 262 . 1 1 24 24 GLY HA2 H 1 4.379 0.020 . 2 . . . . . 24 GLY HA2 . 17595 1 263 . 1 1 24 24 GLY HA3 H 1 4.152 0.020 . 2 . . . . . 24 GLY HA3 . 17595 1 264 . 1 1 24 24 GLY C C 13 171.469 0.3 . 1 . . . . . 24 GLY C . 17595 1 265 . 1 1 24 24 GLY CA C 13 46.012 0.3 . 1 . . . . . 24 GLY CA . 17595 1 266 . 1 1 24 24 GLY N N 15 106.688 0.3 . 1 . . . . . 24 GLY N . 17595 1 267 . 1 1 25 25 TYR H H 1 9.242 0.020 . 1 . . . . . 25 TYR H . 17595 1 268 . 1 1 25 25 TYR HA H 1 5.735 0.020 . 1 . . . . . 25 TYR HA . 17595 1 269 . 1 1 25 25 TYR HB2 H 1 2.865 0.020 . 2 . . . . . 25 TYR HB2 . 17595 1 270 . 1 1 25 25 TYR HB3 H 1 2.754 0.020 . 2 . . . . . 25 TYR HB3 . 17595 1 271 . 1 1 25 25 TYR HD1 H 1 6.994 0.020 . 1 . . . . . 25 TYR HD1 . 17595 1 272 . 1 1 25 25 TYR HD2 H 1 6.994 0.020 . 1 . . . . . 25 TYR HD2 . 17595 1 273 . 1 1 25 25 TYR HE1 H 1 6.796 0.020 . 1 . . . . . 25 TYR HE1 . 17595 1 274 . 1 1 25 25 TYR HE2 H 1 6.796 0.020 . 1 . . . . . 25 TYR HE2 . 17595 1 275 . 1 1 25 25 TYR C C 13 175.862 0.3 . 1 . . . . . 25 TYR C . 17595 1 276 . 1 1 25 25 TYR CA C 13 56.587 0.3 . 1 . . . . . 25 TYR CA . 17595 1 277 . 1 1 25 25 TYR CB C 13 42.879 0.3 . 1 . . . . . 25 TYR CB . 17595 1 278 . 1 1 25 25 TYR CD1 C 13 132.724 0.3 . 1 . . . . . 25 TYR CD1 . 17595 1 279 . 1 1 25 25 TYR CE1 C 13 117.963 0.3 . 1 . . . . . 25 TYR CE1 . 17595 1 280 . 1 1 25 25 TYR N N 15 119.724 0.3 . 1 . . . . . 25 TYR N . 17595 1 281 . 1 1 26 26 THR H H 1 9.138 0.020 . 1 . . . . . 26 THR H . 17595 1 282 . 1 1 26 26 THR HA H 1 4.782 0.020 . 1 . . . . . 26 THR HA . 17595 1 283 . 1 1 26 26 THR HB H 1 4.258 0.020 . 1 . . . . . 26 THR HB . 17595 1 284 . 1 1 26 26 THR HG21 H 1 0.932 0.020 . 1 . . . . . 26 THR HG2 . 17595 1 285 . 1 1 26 26 THR HG22 H 1 0.932 0.020 . 1 . . . . . 26 THR HG2 . 17595 1 286 . 1 1 26 26 THR HG23 H 1 0.932 0.020 . 1 . . . . . 26 THR HG2 . 17595 1 287 . 1 1 26 26 THR C C 13 171.533 0.3 . 1 . . . . . 26 THR C . 17595 1 288 . 1 1 26 26 THR CA C 13 61.853 0.3 . 1 . . . . . 26 THR CA . 17595 1 289 . 1 1 26 26 THR CB C 13 70.576 0.3 . 1 . . . . . 26 THR CB . 17595 1 290 . 1 1 26 26 THR CG2 C 13 17.683 0.3 . 1 . . . . . 26 THR CG2 . 17595 1 291 . 1 1 26 26 THR N N 15 115.135 0.3 . 1 . . . . . 26 THR N . 17595 1 292 . 1 1 27 27 THR H H 1 7.917 0.020 . 1 . . . . . 27 THR H . 17595 1 293 . 1 1 27 27 THR HA H 1 5.956 0.020 . 1 . . . . . 27 THR HA . 17595 1 294 . 1 1 27 27 THR HB H 1 4.730 0.020 . 1 . . . . . 27 THR HB . 17595 1 295 . 1 1 27 27 THR HG21 H 1 1.263 0.020 . 1 . . . . . 27 THR HG2 . 17595 1 296 . 1 1 27 27 THR HG22 H 1 1.263 0.020 . 1 . . . . . 27 THR HG2 . 17595 1 297 . 1 1 27 27 THR HG23 H 1 1.263 0.020 . 1 . . . . . 27 THR HG2 . 17595 1 298 . 1 1 27 27 THR C C 13 174.337 0.3 . 1 . . . . . 27 THR C . 17595 1 299 . 1 1 27 27 THR CA C 13 59.229 0.3 . 1 . . . . . 27 THR CA . 17595 1 300 . 1 1 27 27 THR CB C 13 67.746 0.3 . 1 . . . . . 27 THR CB . 17595 1 301 . 1 1 27 27 THR CG2 C 13 22.312 0.3 . 1 . . . . . 27 THR CG2 . 17595 1 302 . 1 1 27 27 THR N N 15 109.590 0.3 . 1 . . . . . 27 THR N . 17595 1 303 . 1 1 28 28 PRO HA H 1 4.206 0.020 . 1 . . . . . 28 PRO HA . 17595 1 304 . 1 1 28 28 PRO HB2 H 1 2.423 0.020 . 2 . . . . . 28 PRO HB2 . 17595 1 305 . 1 1 28 28 PRO HB3 H 1 2.107 0.020 . 2 . . . . . 28 PRO HB3 . 17595 1 306 . 1 1 28 28 PRO HG2 H 1 2.206 0.020 . 2 . . . . . 28 PRO HG2 . 17595 1 307 . 1 1 28 28 PRO HG3 H 1 1.855 0.020 . 2 . . . . . 28 PRO HG3 . 17595 1 308 . 1 1 28 28 PRO HD2 H 1 3.913 0.020 . 1 . . . . . 28 PRO HD2 . 17595 1 309 . 1 1 28 28 PRO HD3 H 1 3.913 0.020 . 1 . . . . . 28 PRO HD3 . 17595 1 310 . 1 1 28 28 PRO C C 13 179.697 0.3 . 1 . . . . . 28 PRO C . 17595 1 311 . 1 1 28 28 PRO CA C 13 65.472 0.3 . 1 . . . . . 28 PRO CA . 17595 1 312 . 1 1 28 28 PRO CB C 13 32.043 0.3 . 1 . . . . . 28 PRO CB . 17595 1 313 . 1 1 28 28 PRO CG C 13 28.003 0.3 . 1 . . . . . 28 PRO CG . 17595 1 314 . 1 1 28 28 PRO CD C 13 50.650 0.3 . 1 . . . . . 28 PRO CD . 17595 1 315 . 1 1 29 29 SER H H 1 8.868 0.020 . 1 . . . . . 29 SER H . 17595 1 316 . 1 1 29 29 SER HA H 1 4.288 0.020 . 1 . . . . . 29 SER HA . 17595 1 317 . 1 1 29 29 SER HB2 H 1 3.776 0.020 . 1 . . . . . 29 SER HB2 . 17595 1 318 . 1 1 29 29 SER HB3 H 1 3.776 0.020 . 1 . . . . . 29 SER HB3 . 17595 1 319 . 1 1 29 29 SER C C 13 177.170 0.3 . 1 . . . . . 29 SER C . 17595 1 320 . 1 1 29 29 SER CA C 13 61.384 0.3 . 1 . . . . . 29 SER CA . 17595 1 321 . 1 1 29 29 SER CB C 13 61.384 0.3 . 1 . . . . . 29 SER CB . 17595 1 322 . 1 1 29 29 SER N N 15 110.505 0.3 . 1 . . . . . 29 SER N . 17595 1 323 . 1 1 30 30 VAL H H 1 7.547 0.020 . 1 . . . . . 30 VAL H . 17595 1 324 . 1 1 30 30 VAL HA H 1 3.689 0.020 . 1 . . . . . 30 VAL HA . 17595 1 325 . 1 1 30 30 VAL HB H 1 2.576 0.020 . 1 . . . . . 30 VAL HB . 17595 1 326 . 1 1 30 30 VAL HG11 H 1 1.243 0.020 . 1 . . . . . 30 VAL HG1 . 17595 1 327 . 1 1 30 30 VAL HG12 H 1 1.243 0.020 . 1 . . . . . 30 VAL HG1 . 17595 1 328 . 1 1 30 30 VAL HG13 H 1 1.243 0.020 . 1 . . . . . 30 VAL HG1 . 17595 1 329 . 1 1 30 30 VAL HG21 H 1 0.986 0.020 . 1 . . . . . 30 VAL HG2 . 17595 1 330 . 1 1 30 30 VAL HG22 H 1 0.986 0.020 . 1 . . . . . 30 VAL HG2 . 17595 1 331 . 1 1 30 30 VAL HG23 H 1 0.986 0.020 . 1 . . . . . 30 VAL HG2 . 17595 1 332 . 1 1 30 30 VAL C C 13 177.422 0.3 . 1 . . . . . 30 VAL C . 17595 1 333 . 1 1 30 30 VAL CA C 13 66.801 0.3 . 1 . . . . . 30 VAL CA . 17595 1 334 . 1 1 30 30 VAL CB C 13 31.366 0.3 . 1 . . . . . 30 VAL CB . 17595 1 335 . 1 1 30 30 VAL CG1 C 13 23.703 0.3 . 1 . . . . . 30 VAL CG1 . 17595 1 336 . 1 1 30 30 VAL CG2 C 13 21.544 0.3 . 1 . . . . . 30 VAL CG2 . 17595 1 337 . 1 1 30 30 VAL N N 15 124.754 0.3 . 1 . . . . . 30 VAL N . 17595 1 338 . 1 1 31 31 VAL H H 1 7.126 0.020 . 1 . . . . . 31 VAL H . 17595 1 339 . 1 1 31 31 VAL HA H 1 3.262 0.020 . 1 . . . . . 31 VAL HA . 17595 1 340 . 1 1 31 31 VAL HB H 1 2.253 0.020 . 1 . . . . . 31 VAL HB . 17595 1 341 . 1 1 31 31 VAL HG11 H 1 0.951 0.020 . 1 . . . . . 31 VAL HG1 . 17595 1 342 . 1 1 31 31 VAL HG12 H 1 0.951 0.020 . 1 . . . . . 31 VAL HG1 . 17595 1 343 . 1 1 31 31 VAL HG13 H 1 0.951 0.020 . 1 . . . . . 31 VAL HG1 . 17595 1 344 . 1 1 31 31 VAL HG21 H 1 0.871 0.020 . 1 . . . . . 31 VAL HG2 . 17595 1 345 . 1 1 31 31 VAL HG22 H 1 0.871 0.020 . 1 . . . . . 31 VAL HG2 . 17595 1 346 . 1 1 31 31 VAL HG23 H 1 0.871 0.020 . 1 . . . . . 31 VAL HG2 . 17595 1 347 . 1 1 31 31 VAL C C 13 178.847 0.3 . 1 . . . . . 31 VAL C . 17595 1 348 . 1 1 31 31 VAL CA C 13 66.478 0.3 . 1 . . . . . 31 VAL CA . 17595 1 349 . 1 1 31 31 VAL CB C 13 30.973 0.3 . 1 . . . . . 31 VAL CB . 17595 1 350 . 1 1 31 31 VAL CG1 C 13 21.915 0.3 . 1 . . . . . 31 VAL CG1 . 17595 1 351 . 1 1 31 31 VAL CG2 C 13 20.830 0.3 . 1 . . . . . 31 VAL CG2 . 17595 1 352 . 1 1 31 31 VAL N N 15 117.035 0.3 . 1 . . . . . 31 VAL N . 17595 1 353 . 1 1 32 32 GLU H H 1 7.564 0.020 . 1 . . . . . 32 GLU H . 17595 1 354 . 1 1 32 32 GLU HA H 1 3.970 0.020 . 1 . . . . . 32 GLU HA . 17595 1 355 . 1 1 32 32 GLU HB2 H 1 2.072 0.020 . 2 . . . . . 32 GLU HB2 . 17595 1 356 . 1 1 32 32 GLU HB3 H 1 2.005 0.020 . 2 . . . . . 32 GLU HB3 . 17595 1 357 . 1 1 32 32 GLU HG2 H 1 2.352 0.020 . 2 . . . . . 32 GLU HG2 . 17595 1 358 . 1 1 32 32 GLU HG3 H 1 2.279 0.020 . 2 . . . . . 32 GLU HG3 . 17595 1 359 . 1 1 32 32 GLU C C 13 177.359 0.3 . 1 . . . . . 32 GLU C . 17595 1 360 . 1 1 32 32 GLU CA C 13 58.172 0.3 . 1 . . . . . 32 GLU CA . 17595 1 361 . 1 1 32 32 GLU CB C 13 30.166 0.3 . 1 . . . . . 32 GLU CB . 17595 1 362 . 1 1 32 32 GLU CG C 13 36.347 0.3 . 1 . . . . . 32 GLU CG . 17595 1 363 . 1 1 32 32 GLU N N 15 115.499 0.3 . 1 . . . . . 32 GLU N . 17595 1 364 . 1 1 33 33 GLU H H 1 7.537 0.020 . 1 . . . . . 33 GLU H . 17595 1 365 . 1 1 33 33 GLU HA H 1 4.205 0.020 . 1 . . . . . 33 GLU HA . 17595 1 366 . 1 1 33 33 GLU HB2 H 1 2.328 0.020 . 1 . . . . . 33 GLU HB2 . 17595 1 367 . 1 1 33 33 GLU HB3 H 1 2.328 0.020 . 2 . . . . . 33 GLU HB3 . 17595 1 368 . 1 1 33 33 GLU C C 13 176.932 0.3 . 1 . . . . . 33 GLU C . 17595 1 369 . 1 1 33 33 GLU CA C 13 57.475 0.3 . 1 . . . . . 33 GLU CA . 17595 1 370 . 1 1 33 33 GLU CB C 13 29.857 0.3 . 1 . . . . . 33 GLU CB . 17595 1 371 . 1 1 33 33 GLU CG C 13 36.398 0.3 . 1 . . . . . 33 GLU CG . 17595 1 372 . 1 1 33 33 GLU N N 15 116.652 0.3 . 1 . . . . . 33 GLU N . 17595 1 373 . 1 1 34 34 ILE H H 1 7.291 0.020 . 1 . . . . . 34 ILE H . 17595 1 374 . 1 1 34 34 ILE HA H 1 4.024 0.020 . 1 . . . . . 34 ILE HA . 17595 1 375 . 1 1 34 34 ILE HB H 1 2.038 0.020 . 1 . . . . . 34 ILE HB . 17595 1 376 . 1 1 34 34 ILE HG12 H 1 1.657 0.020 . 2 . . . . . 34 ILE HG12 . 17595 1 377 . 1 1 34 34 ILE HG13 H 1 1.477 0.020 . 2 . . . . . 34 ILE HG13 . 17595 1 378 . 1 1 34 34 ILE HG21 H 1 0.822 0.020 . 1 . . . . . 34 ILE HG2 . 17595 1 379 . 1 1 34 34 ILE HG22 H 1 0.822 0.020 . 1 . . . . . 34 ILE HG2 . 17595 1 380 . 1 1 34 34 ILE HG23 H 1 0.822 0.020 . 1 . . . . . 34 ILE HG2 . 17595 1 381 . 1 1 34 34 ILE HD11 H 1 0.885 0.020 . 1 . . . . . 34 ILE HD1 . 17595 1 382 . 1 1 34 34 ILE HD12 H 1 0.885 0.020 . 1 . . . . . 34 ILE HD1 . 17595 1 383 . 1 1 34 34 ILE HD13 H 1 0.885 0.020 . 1 . . . . . 34 ILE HD1 . 17595 1 384 . 1 1 34 34 ILE C C 13 175.043 0.3 . 1 . . . . . 34 ILE C . 17595 1 385 . 1 1 34 34 ILE CA C 13 61.116 0.3 . 1 . . . . . 34 ILE CA . 17595 1 386 . 1 1 34 34 ILE CB C 13 35.981 0.3 . 1 . . . . . 34 ILE CB . 17595 1 387 . 1 1 34 34 ILE CG1 C 13 27.165 0.3 . 1 . . . . . 34 ILE CG1 . 17595 1 388 . 1 1 34 34 ILE CG2 C 13 18.276 0.3 . 1 . . . . . 34 ILE CG2 . 17595 1 389 . 1 1 34 34 ILE CD1 C 13 13.403 0.3 . 1 . . . . . 34 ILE CD1 . 17595 1 390 . 1 1 34 34 ILE N N 15 120.124 0.3 . 1 . . . . . 34 ILE N . 17595 1 391 . 1 1 35 35 LYS H H 1 8.174 0.020 . 1 . . . . . 35 LYS H . 17595 1 392 . 1 1 35 35 LYS HA H 1 4.404 0.020 . 1 . . . . . 35 LYS HA . 17595 1 393 . 1 1 35 35 LYS HB2 H 1 1.931 0.020 . 2 . . . . . 35 LYS HB2 . 17595 1 394 . 1 1 35 35 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 35 LYS HB3 . 17595 1 395 . 1 1 35 35 LYS HG2 H 1 1.491 0.020 . 2 . . . . . 35 LYS HG2 . 17595 1 396 . 1 1 35 35 LYS HG3 H 1 1.455 0.020 . 2 . . . . . 35 LYS HG3 . 17595 1 397 . 1 1 35 35 LYS HD2 H 1 1.676 0.020 . 2 . . . . . 35 LYS HD2 . 17595 1 398 . 1 1 35 35 LYS HD3 H 1 1.502 0.020 . 2 . . . . . 35 LYS HD3 . 17595 1 399 . 1 1 35 35 LYS C C 13 176.879 0.3 . 1 . . . . . 35 LYS C . 17595 1 400 . 1 1 35 35 LYS CA C 13 56.043 0.3 . 1 . . . . . 35 LYS CA . 17595 1 401 . 1 1 35 35 LYS CB C 13 34.130 0.3 . 1 . . . . . 35 LYS CB . 17595 1 402 . 1 1 35 35 LYS CG C 13 24.727 0.3 . 1 . . . . . 35 LYS CG . 17595 1 403 . 1 1 35 35 LYS CD C 13 29.047 0.3 . 1 . . . . . 35 LYS CD . 17595 1 404 . 1 1 35 35 LYS CE C 13 42.426 0.3 . 1 . . . . . 35 LYS CE . 17595 1 405 . 1 1 35 35 LYS N N 15 125.475 0.3 . 1 . . . . . 35 LYS N . 17595 1 406 . 1 1 36 36 ASP H H 1 7.945 0.020 . 1 . . . . . 36 ASP H . 17595 1 407 . 1 1 36 36 ASP HA H 1 4.649 0.020 . 1 . . . . . 36 ASP HA . 17595 1 408 . 1 1 36 36 ASP HB2 H 1 2.807 0.020 . 2 . . . . . 36 ASP HB2 . 17595 1 409 . 1 1 36 36 ASP HB3 H 1 2.635 0.020 . 2 . . . . . 36 ASP HB3 . 17595 1 410 . 1 1 36 36 ASP C C 13 175.864 0.3 . 1 . . . . . 36 ASP C . 17595 1 411 . 1 1 36 36 ASP CA C 13 54.043 0.3 . 1 . . . . . 36 ASP CA . 17595 1 412 . 1 1 36 36 ASP CB C 13 42.511 0.3 . 1 . . . . . 36 ASP CB . 17595 1 413 . 1 1 36 36 ASP N N 15 120.342 0.3 . 1 . . . . . 36 ASP N . 17595 1 414 . 1 1 37 37 ARG H H 1 8.641 0.020 . 1 . . . . . 37 ARG H . 17595 1 415 . 1 1 37 37 ARG HA H 1 3.930 0.020 . 1 . . . . . 37 ARG HA . 17595 1 416 . 1 1 37 37 ARG HB2 H 1 1.963 0.020 . 2 . . . . . 37 ARG HB2 . 17595 1 417 . 1 1 37 37 ARG HB3 H 1 1.868 0.020 . 2 . . . . . 37 ARG HB3 . 17595 1 418 . 1 1 37 37 ARG C C 13 177.823 0.3 . 1 . . . . . 37 ARG C . 17595 1 419 . 1 1 37 37 ARG CA C 13 59.510 0.3 . 1 . . . . . 37 ARG CA . 17595 1 420 . 1 1 37 37 ARG CB C 13 30.420 0.3 . 1 . . . . . 37 ARG CB . 17595 1 421 . 1 1 37 37 ARG CG C 13 26.997 0.3 . 1 . . . . . 37 ARG CG . 17595 1 422 . 1 1 37 37 ARG CD C 13 43.200 0.3 . 1 . . . . . 37 ARG CD . 17595 1 423 . 1 1 37 37 ARG N N 15 124.586 0.3 . 1 . . . . . 37 ARG N . 17595 1 424 . 1 1 38 38 GLU H H 1 8.659 0.020 . 1 . . . . . 38 GLU H . 17595 1 425 . 1 1 38 38 GLU HA H 1 4.014 0.020 . 1 . . . . . 38 GLU HA . 17595 1 426 . 1 1 38 38 GLU HB2 H 1 2.136 0.020 . 2 . . . . . 38 GLU HB2 . 17595 1 427 . 1 1 38 38 GLU HB3 H 1 2.062 0.020 . 2 . . . . . 38 GLU HB3 . 17595 1 428 . 1 1 38 38 GLU HG2 H 1 2.444 0.020 . 2 . . . . . 38 GLU HG2 . 17595 1 429 . 1 1 38 38 GLU HG3 H 1 2.353 0.020 . 2 . . . . . 38 GLU HG3 . 17595 1 430 . 1 1 38 38 GLU C C 13 179.748 0.3 . 1 . . . . . 38 GLU C . 17595 1 431 . 1 1 38 38 GLU CA C 13 59.966 0.3 . 1 . . . . . 38 GLU CA . 17595 1 432 . 1 1 38 38 GLU CB C 13 29.038 0.3 . 1 . . . . . 38 GLU CB . 17595 1 433 . 1 1 38 38 GLU CG C 13 36.925 0.3 . 1 . . . . . 38 GLU CG . 17595 1 434 . 1 1 38 38 GLU N N 15 117.285 0.3 . 1 . . . . . 38 GLU N . 17595 1 435 . 1 1 39 39 SER H H 1 8.089 0.020 . 1 . . . . . 39 SER H . 17595 1 436 . 1 1 39 39 SER HA H 1 4.484 0.020 . 1 . . . . . 39 SER HA . 17595 1 437 . 1 1 39 39 SER HB2 H 1 3.888 0.020 . 1 . . . . . 39 SER HB2 . 17595 1 438 . 1 1 39 39 SER HB3 H 1 3.705 0.020 . 1 . . . . . 39 SER HB3 . 17595 1 439 . 1 1 39 39 SER C C 13 175.528 0.3 . 1 . . . . . 39 SER C . 17595 1 440 . 1 1 39 39 SER CA C 13 61.491 0.3 . 1 . . . . . 39 SER CA . 17595 1 441 . 1 1 39 39 SER CB C 13 62.739 0.3 . 1 . . . . . 39 SER CB . 17595 1 442 . 1 1 39 39 SER N N 15 116.786 0.3 . 1 . . . . . 39 SER N . 17595 1 443 . 1 1 40 40 LYS H H 1 8.258 0.020 . 1 . . . . . 40 LYS H . 17595 1 444 . 1 1 40 40 LYS HA H 1 3.842 0.020 . 1 . . . . . 40 LYS HA . 17595 1 445 . 1 1 40 40 LYS HB2 H 1 1.913 0.020 . 2 . . . . . 40 LYS HB2 . 17595 1 446 . 1 1 40 40 LYS HB3 H 1 1.747 0.020 . 2 . . . . . 40 LYS HB3 . 17595 1 447 . 1 1 40 40 LYS HG2 H 1 1.690 0.020 . 2 . . . . . 40 LYS HG2 . 17595 1 448 . 1 1 40 40 LYS HG3 H 1 1.394 0.020 . 2 . . . . . 40 LYS HG3 . 17595 1 449 . 1 1 40 40 LYS C C 13 178.359 0.3 . 1 . . . . . 40 LYS C . 17595 1 450 . 1 1 40 40 LYS CA C 13 59.871 0.3 . 1 . . . . . 40 LYS CA . 17595 1 451 . 1 1 40 40 LYS CB C 13 32.141 0.3 . 1 . . . . . 40 LYS CB . 17595 1 452 . 1 1 40 40 LYS CG C 13 24.443 0.3 . 1 . . . . . 40 LYS CG . 17595 1 453 . 1 1 40 40 LYS CD C 13 28.918 0.3 . 1 . . . . . 40 LYS CD . 17595 1 454 . 1 1 40 40 LYS CE C 13 41.532 0.3 . 1 . . . . . 40 LYS CE . 17595 1 455 . 1 1 40 40 LYS N N 15 123.024 0.3 . 1 . . . . . 40 LYS N . 17595 1 456 . 1 1 41 41 ILE H H 1 8.121 0.020 . 1 . . . . . 41 ILE H . 17595 1 457 . 1 1 41 41 ILE HA H 1 3.799 0.020 . 1 . . . . . 41 ILE HA . 17595 1 458 . 1 1 41 41 ILE HB H 1 1.956 0.020 . 1 . . . . . 41 ILE HB . 17595 1 459 . 1 1 41 41 ILE HG12 H 1 1.713 0.020 . 2 . . . . . 41 ILE HG12 . 17595 1 460 . 1 1 41 41 ILE HG13 H 1 1.226 0.020 . 2 . . . . . 41 ILE HG13 . 17595 1 461 . 1 1 41 41 ILE HG21 H 1 0.972 0.020 . 1 . . . . . 41 ILE HG2 . 17595 1 462 . 1 1 41 41 ILE HG22 H 1 0.972 0.020 . 1 . . . . . 41 ILE HG2 . 17595 1 463 . 1 1 41 41 ILE HG23 H 1 0.972 0.020 . 1 . . . . . 41 ILE HG2 . 17595 1 464 . 1 1 41 41 ILE HD11 H 1 0.853 0.020 . 1 . . . . . 41 ILE HD1 . 17595 1 465 . 1 1 41 41 ILE HD12 H 1 0.853 0.020 . 1 . . . . . 41 ILE HD1 . 17595 1 466 . 1 1 41 41 ILE HD13 H 1 0.853 0.020 . 1 . . . . . 41 ILE HD1 . 17595 1 467 . 1 1 41 41 ILE C C 13 178.857 0.3 . 1 . . . . . 41 ILE C . 17595 1 468 . 1 1 41 41 ILE CA C 13 64.750 0.3 . 1 . . . . . 41 ILE CA . 17595 1 469 . 1 1 41 41 ILE CB C 13 37.928 0.3 . 1 . . . . . 41 ILE CB . 17595 1 470 . 1 1 41 41 ILE CG1 C 13 29.093 0.3 . 1 . . . . . 41 ILE CG1 . 17595 1 471 . 1 1 41 41 ILE CG2 C 13 17.135 0.3 . 1 . . . . . 41 ILE CG2 . 17595 1 472 . 1 1 41 41 ILE CD1 C 13 13.193 0.3 . 1 . . . . . 41 ILE CD1 . 17595 1 473 . 1 1 41 41 ILE N N 15 119.303 0.3 . 1 . . . . . 41 ILE N . 17595 1 474 . 1 1 42 42 PHE H H 1 7.888 0.020 . 1 . . . . . 42 PHE H . 17595 1 475 . 1 1 42 42 PHE HA H 1 4.367 0.020 . 1 . . . . . 42 PHE HA . 17595 1 476 . 1 1 42 42 PHE HB2 H 1 3.406 0.020 . 2 . . . . . 42 PHE HB2 . 17595 1 477 . 1 1 42 42 PHE HB3 H 1 3.307 0.020 . 2 . . . . . 42 PHE HB3 . 17595 1 478 . 1 1 42 42 PHE HD1 H 1 7.386 0.020 . 1 . . . . . 42 PHE HD1 . 17595 1 479 . 1 1 42 42 PHE HD2 H 1 7.386 0.020 . 1 . . . . . 42 PHE HD2 . 17595 1 480 . 1 1 42 42 PHE HE1 H 1 7.347 0.020 . 1 . . . . . 42 PHE HE1 . 17595 1 481 . 1 1 42 42 PHE HE2 H 1 7.347 0.020 . 1 . . . . . 42 PHE HE2 . 17595 1 482 . 1 1 42 42 PHE HZ H 1 7.112 0.020 . 1 . . . . . 42 PHE HZ . 17595 1 483 . 1 1 42 42 PHE C C 13 177.960 0.3 . 1 . . . . . 42 PHE C . 17595 1 484 . 1 1 42 42 PHE CA C 13 61.306 0.3 . 1 . . . . . 42 PHE CA . 17595 1 485 . 1 1 42 42 PHE CB C 13 39.266 0.3 . 1 . . . . . 42 PHE CB . 17595 1 486 . 1 1 42 42 PHE CD1 C 13 131.388 0.3 . 1 . . . . . 42 PHE CD1 . 17595 1 487 . 1 1 42 42 PHE CE1 C 13 131.370 0.3 . 1 . . . . . 42 PHE CE1 . 17595 1 488 . 1 1 42 42 PHE CZ C 13 130.857 0.3 . 1 . . . . . 42 PHE CZ . 17595 1 489 . 1 1 42 42 PHE N N 15 122.429 0.3 . 1 . . . . . 42 PHE N . 17595 1 490 . 1 1 43 43 LEU H H 1 8.437 0.020 . 1 . . . . . 43 LEU H . 17595 1 491 . 1 1 43 43 LEU HA H 1 3.637 0.020 . 1 . . . . . 43 LEU HA . 17595 1 492 . 1 1 43 43 LEU HB2 H 1 1.949 0.020 . 2 . . . . . 43 LEU HB2 . 17595 1 493 . 1 1 43 43 LEU HB3 H 1 1.094 0.020 . 2 . . . . . 43 LEU HB3 . 17595 1 494 . 1 1 43 43 LEU HG H 1 1.168 0.020 . 1 . . . . . 43 LEU HG . 17595 1 495 . 1 1 43 43 LEU HD11 H 1 -0.162 0.020 . 1 . . . . . 43 LEU HD1 . 17595 1 496 . 1 1 43 43 LEU HD12 H 1 -0.162 0.020 . 1 . . . . . 43 LEU HD1 . 17595 1 497 . 1 1 43 43 LEU HD13 H 1 -0.162 0.020 . 1 . . . . . 43 LEU HD1 . 17595 1 498 . 1 1 43 43 LEU HD21 H 1 0.580 0.020 . 1 . . . . . 43 LEU HD2 . 17595 1 499 . 1 1 43 43 LEU HD22 H 1 0.580 0.020 . 1 . . . . . 43 LEU HD2 . 17595 1 500 . 1 1 43 43 LEU HD23 H 1 0.580 0.020 . 1 . . . . . 43 LEU HD2 . 17595 1 501 . 1 1 43 43 LEU C C 13 177.990 0.3 . 1 . . . . . 43 LEU C . 17595 1 502 . 1 1 43 43 LEU CA C 13 58.653 0.3 . 1 . . . . . 43 LEU CA . 17595 1 503 . 1 1 43 43 LEU CB C 13 41.187 0.3 . 1 . . . . . 43 LEU CB . 17595 1 504 . 1 1 43 43 LEU CG C 13 26.746 0.3 . 1 . . . . . 43 LEU CG . 17595 1 505 . 1 1 43 43 LEU CD1 C 13 22.058 0.3 . 1 . . . . . 43 LEU CD1 . 17595 1 506 . 1 1 43 43 LEU CD2 C 13 27.182 0.3 . 1 . . . . . 43 LEU CD2 . 17595 1 507 . 1 1 43 43 LEU N N 15 121.513 0.3 . 1 . . . . . 43 LEU N . 17595 1 508 . 1 1 44 44 GLU H H 1 8.621 0.020 . 1 . . . . . 44 GLU H . 17595 1 509 . 1 1 44 44 GLU HA H 1 3.780 0.020 . 1 . . . . . 44 GLU HA . 17595 1 510 . 1 1 44 44 GLU HB2 H 1 2.123 0.020 . 2 . . . . . 44 GLU HB2 . 17595 1 511 . 1 1 44 44 GLU HB3 H 1 1.995 0.020 . 2 . . . . . 44 GLU HB3 . 17595 1 512 . 1 1 44 44 GLU HG2 H 1 2.446 0.020 . 2 . . . . . 44 GLU HG2 . 17595 1 513 . 1 1 44 44 GLU HG3 H 1 2.345 0.020 . 2 . . . . . 44 GLU HG3 . 17595 1 514 . 1 1 44 44 GLU C C 13 179.546 0.3 . 1 . . . . . 44 GLU C . 17595 1 515 . 1 1 44 44 GLU CA C 13 59.771 0.3 . 1 . . . . . 44 GLU CA . 17595 1 516 . 1 1 44 44 GLU CB C 13 28.664 0.3 . 1 . . . . . 44 GLU CB . 17595 1 517 . 1 1 44 44 GLU CG C 13 36.596 0.3 . 1 . . . . . 44 GLU CG . 17595 1 518 . 1 1 44 44 GLU N N 15 117.470 0.3 . 1 . . . . . 44 GLU N . 17595 1 519 . 1 1 45 45 SER H H 1 8.299 0.020 . 1 . . . . . 45 SER H . 17595 1 520 . 1 1 45 45 SER HA H 1 4.305 0.020 . 1 . . . . . 45 SER HA . 17595 1 521 . 1 1 45 45 SER HB2 H 1 4.005 0.020 . 1 . . . . . 45 SER HB2 . 17595 1 522 . 1 1 45 45 SER HB3 H 1 4.005 0.020 . 1 . . . . . 45 SER HB3 . 17595 1 523 . 1 1 45 45 SER C C 13 176.745 0.3 . 1 . . . . . 45 SER C . 17595 1 524 . 1 1 45 45 SER CA C 13 61.343 0.3 . 1 . . . . . 45 SER CA . 17595 1 525 . 1 1 45 45 SER CB C 13 62.293 0.3 . 1 . . . . . 45 SER CB . 17595 1 526 . 1 1 45 45 SER N N 15 117.566 0.3 . 1 . . . . . 45 SER N . 17595 1 527 . 1 1 46 46 LEU H H 1 7.613 0.020 . 1 . . . . . 46 LEU H . 17595 1 528 . 1 1 46 46 LEU HA H 1 4.032 0.020 . 1 . . . . . 46 LEU HA . 17595 1 529 . 1 1 46 46 LEU HB2 H 1 1.881 0.020 . 2 . . . . . 46 LEU HB2 . 17595 1 530 . 1 1 46 46 LEU HB3 H 1 1.252 0.020 . 2 . . . . . 46 LEU HB3 . 17595 1 531 . 1 1 46 46 LEU HG H 1 1.263 0.020 . 1 . . . . . 46 LEU HG . 17595 1 532 . 1 1 46 46 LEU HD11 H 1 0.807 0.020 . 1 . . . . . 46 LEU HD1 . 17595 1 533 . 1 1 46 46 LEU HD12 H 1 0.807 0.020 . 1 . . . . . 46 LEU HD1 . 17595 1 534 . 1 1 46 46 LEU HD13 H 1 0.807 0.020 . 1 . . . . . 46 LEU HD1 . 17595 1 535 . 1 1 46 46 LEU HD21 H 1 0.700 0.020 . 1 . . . . . 46 LEU HD2 . 17595 1 536 . 1 1 46 46 LEU HD22 H 1 0.700 0.020 . 1 . . . . . 46 LEU HD2 . 17595 1 537 . 1 1 46 46 LEU HD23 H 1 0.700 0.020 . 1 . . . . . 46 LEU HD2 . 17595 1 538 . 1 1 46 46 LEU C C 13 180.383 0.3 . 1 . . . . . 46 LEU C . 17595 1 539 . 1 1 46 46 LEU CA C 13 58.321 0.3 . 1 . . . . . 46 LEU CA . 17595 1 540 . 1 1 46 46 LEU CB C 13 41.945 0.3 . 1 . . . . . 46 LEU CB . 17595 1 541 . 1 1 46 46 LEU CG C 13 26.330 0.3 . 1 . . . . . 46 LEU CG . 17595 1 542 . 1 1 46 46 LEU CD1 C 13 24.201 0.3 . 1 . . . . . 46 LEU CD1 . 17595 1 543 . 1 1 46 46 LEU CD2 C 13 22.560 0.3 . 1 . . . . . 46 LEU CD2 . 17595 1 544 . 1 1 46 46 LEU N N 15 124.196 0.3 . 1 . . . . . 46 LEU N . 17595 1 545 . 1 1 47 47 ILE H H 1 8.256 0.020 . 1 . . . . . 47 ILE H . 17595 1 546 . 1 1 47 47 ILE HA H 1 4.239 0.020 . 1 . . . . . 47 ILE HA . 17595 1 547 . 1 1 47 47 ILE HB H 1 1.768 0.020 . 1 . . . . . 47 ILE HB . 17595 1 548 . 1 1 47 47 ILE HG12 H 1 1.524 0.020 . 2 . . . . . 47 ILE HG12 . 17595 1 549 . 1 1 47 47 ILE HG13 H 1 0.726 0.020 . 2 . . . . . 47 ILE HG13 . 17595 1 550 . 1 1 47 47 ILE HG21 H 1 0.898 0.020 . 1 . . . . . 47 ILE HG2 . 17595 1 551 . 1 1 47 47 ILE HG22 H 1 0.898 0.020 . 1 . . . . . 47 ILE HG2 . 17595 1 552 . 1 1 47 47 ILE HG23 H 1 0.898 0.020 . 1 . . . . . 47 ILE HG2 . 17595 1 553 . 1 1 47 47 ILE HD11 H 1 0.602 0.020 . 1 . . . . . 47 ILE HD1 . 17595 1 554 . 1 1 47 47 ILE HD12 H 1 0.602 0.020 . 1 . . . . . 47 ILE HD1 . 17595 1 555 . 1 1 47 47 ILE HD13 H 1 0.602 0.020 . 1 . . . . . 47 ILE HD1 . 17595 1 556 . 1 1 47 47 ILE C C 13 181.474 0.3 . 1 . . . . . 47 ILE C . 17595 1 557 . 1 1 47 47 ILE CA C 13 64.354 0.3 . 1 . . . . . 47 ILE CA . 17595 1 558 . 1 1 47 47 ILE CB C 13 38.459 0.3 . 1 . . . . . 47 ILE CB . 17595 1 559 . 1 1 47 47 ILE CG1 C 13 28.739 0.3 . 1 . . . . . 47 ILE CG1 . 17595 1 560 . 1 1 47 47 ILE CG2 C 13 16.904 0.3 . 1 . . . . . 47 ILE CG2 . 17595 1 561 . 1 1 47 47 ILE CD1 C 13 13.956 0.3 . 1 . . . . . 47 ILE CD1 . 17595 1 562 . 1 1 47 47 ILE N N 15 122.104 0.3 . 1 . . . . . 47 ILE N . 17595 1 563 . 1 1 48 48 SER H H 1 8.770 0.020 . 1 . . . . . 48 SER H . 17595 1 564 . 1 1 48 48 SER HA H 1 4.186 0.020 . 1 . . . . . 48 SER HA . 17595 1 565 . 1 1 48 48 SER HB2 H 1 3.961 0.020 . 1 . . . . . 48 SER HB2 . 17595 1 566 . 1 1 48 48 SER HB3 H 1 3.961 0.020 . 1 . . . . . 48 SER HB3 . 17595 1 567 . 1 1 48 48 SER C C 13 175.868 0.3 . 1 . . . . . 48 SER C . 17595 1 568 . 1 1 48 48 SER CA C 13 61.603 0.3 . 1 . . . . . 48 SER CA . 17595 1 569 . 1 1 48 48 SER CB C 13 62.539 0.3 . 1 . . . . . 48 SER CB . 17595 1 570 . 1 1 48 48 SER N N 15 118.493 0.3 . 1 . . . . . 48 SER N . 17595 1 571 . 1 1 49 49 ALA H H 1 7.489 0.020 . 1 . . . . . 49 ALA H . 17595 1 572 . 1 1 49 49 ALA HA H 1 4.391 0.020 . 1 . . . . . 49 ALA HA . 17595 1 573 . 1 1 49 49 ALA HB1 H 1 1.529 0.020 . 1 . . . . . 49 ALA HB . 17595 1 574 . 1 1 49 49 ALA HB2 H 1 1.529 0.020 . 1 . . . . . 49 ALA HB . 17595 1 575 . 1 1 49 49 ALA HB3 H 1 1.529 0.020 . 1 . . . . . 49 ALA HB . 17595 1 576 . 1 1 49 49 ALA C C 13 177.680 0.3 . 1 . . . . . 49 ALA C . 17595 1 577 . 1 1 49 49 ALA CA C 13 52.377 0.3 . 1 . . . . . 49 ALA CA . 17595 1 578 . 1 1 49 49 ALA CB C 13 19.390 0.3 . 1 . . . . . 49 ALA CB . 17595 1 579 . 1 1 49 49 ALA N N 15 119.479 0.3 . 1 . . . . . 49 ALA N . 17595 1 580 . 1 1 50 50 GLY H H 1 7.875 0.020 . 1 . . . . . 50 GLY H . 17595 1 581 . 1 1 50 50 GLY HA2 H 1 4.148 0.020 . 2 . . . . . 50 GLY HA2 . 17595 1 582 . 1 1 50 50 GLY HA3 H 1 3.814 0.020 . 2 . . . . . 50 GLY HA3 . 17595 1 583 . 1 1 50 50 GLY C C 13 174.081 0.3 . 1 . . . . . 50 GLY C . 17595 1 584 . 1 1 50 50 GLY CA C 13 45.030 0.3 . 1 . . . . . 50 GLY CA . 17595 1 585 . 1 1 50 50 GLY N N 15 106.323 0.3 . 1 . . . . . 50 GLY N . 17595 1 586 . 1 1 51 51 LYS H H 1 7.772 0.020 . 1 . . . . . 51 LYS H . 17595 1 587 . 1 1 51 51 LYS HA H 1 4.088 0.020 . 1 . . . . . 51 LYS HA . 17595 1 588 . 1 1 51 51 LYS HB2 H 1 2.053 0.020 . 2 . . . . . 51 LYS HB2 . 17595 1 589 . 1 1 51 51 LYS HB3 H 1 1.735 0.020 . 2 . . . . . 51 LYS HB3 . 17595 1 590 . 1 1 51 51 LYS HG2 H 1 1.644 0.020 . 2 . . . . . 51 LYS HG2 . 17595 1 591 . 1 1 51 51 LYS HG3 H 1 1.414 0.020 . 2 . . . . . 51 LYS HG3 . 17595 1 592 . 1 1 51 51 LYS HD2 H 1 1.712 0.020 . 2 . . . . . 51 LYS HD2 . 17595 1 593 . 1 1 51 51 LYS HD3 H 1 1.579 0.020 . 2 . . . . . 51 LYS HD3 . 17595 1 594 . 1 1 51 51 LYS HE2 H 1 2.882 0.020 . 1 . . . . . 51 LYS HE2 . 17595 1 595 . 1 1 51 51 LYS HE3 H 1 2.882 0.020 . 1 . . . . . 51 LYS HE3 . 17595 1 596 . 1 1 51 51 LYS C C 13 175.977 0.3 . 1 . . . . . 51 LYS C . 17595 1 597 . 1 1 51 51 LYS CA C 13 58.527 0.3 . 1 . . . . . 51 LYS CA . 17595 1 598 . 1 1 51 51 LYS CB C 13 33.889 0.3 . 1 . . . . . 51 LYS CB . 17595 1 599 . 1 1 51 51 LYS CG C 13 26.043 0.3 . 1 . . . . . 51 LYS CG . 17595 1 600 . 1 1 51 51 LYS CD C 13 29.734 0.3 . 1 . . . . . 51 LYS CD . 17595 1 601 . 1 1 51 51 LYS CE C 13 41.534 0.3 . 1 . . . . . 51 LYS CE . 17595 1 602 . 1 1 51 51 LYS N N 15 118.430 0.3 . 1 . . . . . 51 LYS N . 17595 1 603 . 1 1 52 52 VAL H H 1 6.671 0.020 . 1 . . . . . 52 VAL H . 17595 1 604 . 1 1 52 52 VAL HA H 1 4.976 0.020 . 1 . . . . . 52 VAL HA . 17595 1 605 . 1 1 52 52 VAL HB H 1 1.251 0.020 . 1 . . . . . 52 VAL HB . 17595 1 606 . 1 1 52 52 VAL HG11 H 1 0.944 0.020 . 1 . . . . . 52 VAL HG1 . 17595 1 607 . 1 1 52 52 VAL HG12 H 1 0.944 0.020 . 1 . . . . . 52 VAL HG1 . 17595 1 608 . 1 1 52 52 VAL HG13 H 1 0.944 0.020 . 1 . . . . . 52 VAL HG1 . 17595 1 609 . 1 1 52 52 VAL HG21 H 1 0.681 0.020 . 1 . . . . . 52 VAL HG2 . 17595 1 610 . 1 1 52 52 VAL HG22 H 1 0.681 0.020 . 1 . . . . . 52 VAL HG2 . 17595 1 611 . 1 1 52 52 VAL HG23 H 1 0.681 0.020 . 1 . . . . . 52 VAL HG2 . 17595 1 612 . 1 1 52 52 VAL C C 13 174.131 0.3 . 1 . . . . . 52 VAL C . 17595 1 613 . 1 1 52 52 VAL CA C 13 59.418 0.3 . 1 . . . . . 52 VAL CA . 17595 1 614 . 1 1 52 52 VAL CB C 13 34.169 0.3 . 1 . . . . . 52 VAL CB . 17595 1 615 . 1 1 52 52 VAL CG1 C 13 23.719 0.3 . 1 . . . . . 52 VAL CG1 . 17595 1 616 . 1 1 52 52 VAL CG2 C 13 21.469 0.3 . 1 . . . . . 52 VAL CG2 . 17595 1 617 . 1 1 52 52 VAL N N 15 116.639 0.3 . 1 . . . . . 52 VAL N . 17595 1 618 . 1 1 53 53 LYS H H 1 7.948 0.020 . 1 . . . . . 53 LYS H . 17595 1 619 . 1 1 53 53 LYS HA H 1 4.436 0.020 . 1 . . . . . 53 LYS HA . 17595 1 620 . 1 1 53 53 LYS HB2 H 1 1.548 0.020 . 2 . . . . . 53 LYS HB2 . 17595 1 621 . 1 1 53 53 LYS HB3 H 1 0.985 0.020 . 2 . . . . . 53 LYS HB3 . 17595 1 622 . 1 1 53 53 LYS HG2 H 1 1.199 0.020 . 2 . . . . . 53 LYS HG2 . 17595 1 623 . 1 1 53 53 LYS HG3 H 1 1.138 0.020 . 2 . . . . . 53 LYS HG3 . 17595 1 624 . 1 1 53 53 LYS HD2 H 1 1.412 0.020 . 1 . . . . . 53 LYS HD2 . 17595 1 625 . 1 1 53 53 LYS HD3 H 1 1.412 0.020 . 1 . . . . . 53 LYS HD3 . 17595 1 626 . 1 1 53 53 LYS HE2 H 1 2.900 0.020 . 2 . . . . . 53 LYS HE2 . 17595 1 627 . 1 1 53 53 LYS HE3 H 1 2.791 0.020 . 2 . . . . . 53 LYS HE3 . 17595 1 628 . 1 1 53 53 LYS C C 13 174.364 0.3 . 1 . . . . . 53 LYS C . 17595 1 629 . 1 1 53 53 LYS CA C 13 53.896 0.3 . 1 . . . . . 53 LYS CA . 17595 1 630 . 1 1 53 53 LYS CB C 13 34.921 0.3 . 1 . . . . . 53 LYS CB . 17595 1 631 . 1 1 53 53 LYS CG C 13 24.998 0.3 . 1 . . . . . 53 LYS CG . 17595 1 632 . 1 1 53 53 LYS CD C 13 28.816 0.3 . 1 . . . . . 53 LYS CD . 17595 1 633 . 1 1 53 53 LYS CE C 13 41.996 0.3 . 1 . . . . . 53 LYS CE . 17595 1 634 . 1 1 53 53 LYS N N 15 126.272 0.3 . 1 . . . . . 53 LYS N . 17595 1 635 . 1 1 54 54 ILE H H 1 8.433 0.020 . 1 . . . . . 54 ILE H . 17595 1 636 . 1 1 54 54 ILE HA H 1 4.581 0.020 . 1 . . . . . 54 ILE HA . 17595 1 637 . 1 1 54 54 ILE HB H 1 1.757 0.020 . 1 . . . . . 54 ILE HB . 17595 1 638 . 1 1 54 54 ILE HG12 H 1 1.379 0.020 . 2 . . . . . 54 ILE HG12 . 17595 1 639 . 1 1 54 54 ILE HG13 H 1 0.950 0.020 . 2 . . . . . 54 ILE HG13 . 17595 1 640 . 1 1 54 54 ILE HG21 H 1 0.733 0.020 . 1 . . . . . 54 ILE HG2 . 17595 1 641 . 1 1 54 54 ILE HG22 H 1 0.733 0.020 . 1 . . . . . 54 ILE HG2 . 17595 1 642 . 1 1 54 54 ILE HG23 H 1 0.733 0.020 . 1 . . . . . 54 ILE HG2 . 17595 1 643 . 1 1 54 54 ILE HD11 H 1 0.622 0.020 . 1 . . . . . 54 ILE HD1 . 17595 1 644 . 1 1 54 54 ILE HD12 H 1 0.622 0.020 . 1 . . . . . 54 ILE HD1 . 17595 1 645 . 1 1 54 54 ILE HD13 H 1 0.622 0.020 . 1 . . . . . 54 ILE HD1 . 17595 1 646 . 1 1 54 54 ILE C C 13 175.988 0.3 . 1 . . . . . 54 ILE C . 17595 1 647 . 1 1 54 54 ILE CA C 13 59.245 0.3 . 1 . . . . . 54 ILE CA . 17595 1 648 . 1 1 54 54 ILE CB C 13 37.389 0.3 . 1 . . . . . 54 ILE CB . 17595 1 649 . 1 1 54 54 ILE CG1 C 13 27.167 0.3 . 1 . . . . . 54 ILE CG1 . 17595 1 650 . 1 1 54 54 ILE CG2 C 13 17.183 0.3 . 1 . . . . . 54 ILE CG2 . 17595 1 651 . 1 1 54 54 ILE CD1 C 13 12.587 0.3 . 1 . . . . . 54 ILE CD1 . 17595 1 652 . 1 1 54 54 ILE N N 15 122.204 0.3 . 1 . . . . . 54 ILE N . 17595 1 653 . 1 1 55 55 ALA H H 1 9.197 0.020 . 1 . . . . . 55 ALA H . 17595 1 654 . 1 1 55 55 ALA HA H 1 4.747 0.020 . 1 . . . . . 55 ALA HA . 17595 1 655 . 1 1 55 55 ALA HB1 H 1 1.369 0.020 . 1 . . . . . 55 ALA HB . 17595 1 656 . 1 1 55 55 ALA HB2 H 1 1.369 0.020 . 1 . . . . . 55 ALA HB . 17595 1 657 . 1 1 55 55 ALA HB3 H 1 1.369 0.020 . 1 . . . . . 55 ALA HB . 17595 1 658 . 1 1 55 55 ALA C C 13 173.904 0.3 . 1 . . . . . 55 ALA C . 17595 1 659 . 1 1 55 55 ALA CA C 13 50.853 0.3 . 1 . . . . . 55 ALA CA . 17595 1 660 . 1 1 55 55 ALA CB C 13 23.098 0.3 . 1 . . . . . 55 ALA CB . 17595 1 661 . 1 1 55 55 ALA N N 15 131.213 0.3 . 1 . . . . . 55 ALA N . 17595 1 662 . 1 1 56 56 GLU H H 1 8.250 0.020 . 1 . . . . . 56 GLU H . 17595 1 663 . 1 1 56 56 GLU HA H 1 4.960 0.020 . 1 . . . . . 56 GLU HA . 17595 1 664 . 1 1 56 56 GLU HB2 H 1 2.032 0.020 . 2 . . . . . 56 GLU HB2 . 17595 1 665 . 1 1 56 56 GLU HB3 H 1 1.861 0.020 . 2 . . . . . 56 GLU HB3 . 17595 1 666 . 1 1 56 56 GLU C C 13 174.706 0.3 . 1 . . . . . 56 GLU C . 17595 1 667 . 1 1 56 56 GLU CA C 13 52.131 0.3 . 1 . . . . . 56 GLU CA . 17595 1 668 . 1 1 56 56 GLU CB C 13 32.022 0.3 . 1 . . . . . 56 GLU CB . 17595 1 669 . 1 1 56 56 GLU N N 15 117.419 0.3 . 1 . . . . . 56 GLU N . 17595 1 670 . 1 1 57 57 PRO HA H 1 4.674 0.020 . 1 . . . . . 57 PRO HA . 17595 1 671 . 1 1 57 57 PRO HB2 H 1 2.207 0.020 . 2 . . . . . 57 PRO HB2 . 17595 1 672 . 1 1 57 57 PRO HB3 H 1 1.836 0.020 . 2 . . . . . 57 PRO HB3 . 17595 1 673 . 1 1 57 57 PRO HG2 H 1 2.480 0.020 . 2 . . . . . 57 PRO HG2 . 17595 1 674 . 1 1 57 57 PRO HG3 H 1 2.096 0.020 . 2 . . . . . 57 PRO HG3 . 17595 1 675 . 1 1 57 57 PRO HD2 H 1 4.054 0.020 . 2 . . . . . 57 PRO HD2 . 17595 1 676 . 1 1 57 57 PRO HD3 H 1 3.676 0.020 . 2 . . . . . 57 PRO HD3 . 17595 1 677 . 1 1 57 57 PRO C C 13 175.124 0.3 . 1 . . . . . 57 PRO C . 17595 1 678 . 1 1 57 57 PRO CA C 13 61.482 0.3 . 1 . . . . . 57 PRO CA . 17595 1 679 . 1 1 57 57 PRO CB C 13 32.613 0.3 . 1 . . . . . 57 PRO CB . 17595 1 680 . 1 1 57 57 PRO CG C 13 26.263 0.3 . 1 . . . . . 57 PRO CG . 17595 1 681 . 1 1 57 57 PRO CD C 13 49.933 0.3 . 1 . . . . . 57 PRO CD . 17595 1 682 . 1 1 58 58 SER H H 1 10.041 0.020 . 1 . . . . . 58 SER H . 17595 1 683 . 1 1 58 58 SER HA H 1 4.421 0.020 . 1 . . . . . 58 SER HA . 17595 1 684 . 1 1 58 58 SER HB2 H 1 4.649 0.020 . 1 . . . . . 58 SER HB2 . 17595 1 685 . 1 1 58 58 SER HB3 H 1 4.222 0.020 . 1 . . . . . 58 SER HB3 . 17595 1 686 . 1 1 58 58 SER C C 13 175.137 0.3 . 1 . . . . . 58 SER C . 17595 1 687 . 1 1 58 58 SER CA C 13 58.151 0.3 . 1 . . . . . 58 SER CA . 17595 1 688 . 1 1 58 58 SER CB C 13 65.174 0.3 . 1 . . . . . 58 SER CB . 17595 1 689 . 1 1 58 58 SER N N 15 117.943 0.3 . 1 . . . . . 58 SER N . 17595 1 690 . 1 1 59 59 LYS H H 1 8.756 0.020 . 1 . . . . . 59 LYS H . 17595 1 691 . 1 1 59 59 LYS HA H 1 3.920 0.020 . 1 . . . . . 59 LYS HA . 17595 1 692 . 1 1 59 59 LYS HB2 H 1 1.937 0.020 . 2 . . . . . 59 LYS HB2 . 17595 1 693 . 1 1 59 59 LYS HB3 H 1 1.821 0.020 . 2 . . . . . 59 LYS HB3 . 17595 1 694 . 1 1 59 59 LYS HE2 H 1 2.340 0.020 . 1 . . . . . 59 LYS HE2 . 17595 1 695 . 1 1 59 59 LYS HE3 H 1 2.340 0.020 . 1 . . . . . 59 LYS HE3 . 17595 1 696 . 1 1 59 59 LYS C C 13 178.138 0.3 . 1 . . . . . 59 LYS C . 17595 1 697 . 1 1 59 59 LYS CA C 13 59.534 0.3 . 1 . . . . . 59 LYS CA . 17595 1 698 . 1 1 59 59 LYS CB C 13 32.305 0.3 . 1 . . . . . 59 LYS CB . 17595 1 699 . 1 1 59 59 LYS CG C 13 24.528 0.3 . 1 . . . . . 59 LYS CG . 17595 1 700 . 1 1 59 59 LYS CD C 13 28.554 0.3 . 1 . . . . . 59 LYS CD . 17595 1 701 . 1 1 59 59 LYS N N 15 122.229 0.3 . 1 . . . . . 59 LYS N . 17595 1 702 . 1 1 60 60 GLU H H 1 8.676 0.020 . 1 . . . . . 60 GLU H . 17595 1 703 . 1 1 60 60 GLU HA H 1 4.094 0.020 . 1 . . . . . 60 GLU HA . 17595 1 704 . 1 1 60 60 GLU HB2 H 1 2.113 0.020 . 1 . . . . . 60 GLU HB2 . 17595 1 705 . 1 1 60 60 GLU HB3 H 1 2.113 0.020 . 2 . . . . . 60 GLU HB3 . 17595 1 706 . 1 1 60 60 GLU C C 13 179.668 0.3 . 1 . . . . . 60 GLU C . 17595 1 707 . 1 1 60 60 GLU CA C 13 60.215 0.3 . 1 . . . . . 60 GLU CA . 17595 1 708 . 1 1 60 60 GLU CB C 13 28.793 0.3 . 1 . . . . . 60 GLU CB . 17595 1 709 . 1 1 60 60 GLU N N 15 117.491 0.3 . 1 . . . . . 60 GLU N . 17595 1 710 . 1 1 61 61 SER H H 1 7.836 0.020 . 1 . . . . . 61 SER H . 17595 1 711 . 1 1 61 61 SER HA H 1 4.254 0.020 . 1 . . . . . 61 SER HA . 17595 1 712 . 1 1 61 61 SER HB2 H 1 4.200 0.020 . 1 . . . . . 61 SER HB2 . 17595 1 713 . 1 1 61 61 SER HB3 H 1 4.200 0.020 . 1 . . . . . 61 SER HB3 . 17595 1 714 . 1 1 61 61 SER C C 13 175.515 0.3 . 1 . . . . . 61 SER C . 17595 1 715 . 1 1 61 61 SER CA C 13 61.572 0.3 . 1 . . . . . 61 SER CA . 17595 1 716 . 1 1 61 61 SER N N 15 118.226 0.3 . 1 . . . . . 61 SER N . 17595 1 717 . 1 1 62 62 ILE H H 1 7.811 0.020 . 1 . . . . . 62 ILE H . 17595 1 718 . 1 1 62 62 ILE HA H 1 3.342 0.020 . 1 . . . . . 62 ILE HA . 17595 1 719 . 1 1 62 62 ILE HB H 1 1.976 0.020 . 1 . . . . . 62 ILE HB . 17595 1 720 . 1 1 62 62 ILE HG12 H 1 1.609 0.020 . 2 . . . . . 62 ILE HG12 . 17595 1 721 . 1 1 62 62 ILE HG13 H 1 0.773 0.020 . 2 . . . . . 62 ILE HG13 . 17595 1 722 . 1 1 62 62 ILE HG21 H 1 0.878 0.020 . 1 . . . . . 62 ILE HG2 . 17595 1 723 . 1 1 62 62 ILE HG22 H 1 0.878 0.020 . 1 . . . . . 62 ILE HG2 . 17595 1 724 . 1 1 62 62 ILE HG23 H 1 0.878 0.020 . 1 . . . . . 62 ILE HG2 . 17595 1 725 . 1 1 62 62 ILE HD11 H 1 0.844 0.020 . 1 . . . . . 62 ILE HD1 . 17595 1 726 . 1 1 62 62 ILE HD12 H 1 0.844 0.020 . 1 . . . . . 62 ILE HD1 . 17595 1 727 . 1 1 62 62 ILE HD13 H 1 0.844 0.020 . 1 . . . . . 62 ILE HD1 . 17595 1 728 . 1 1 62 62 ILE C C 13 177.316 0.3 . 1 . . . . . 62 ILE C . 17595 1 729 . 1 1 62 62 ILE CA C 13 65.968 0.3 . 1 . . . . . 62 ILE CA . 17595 1 730 . 1 1 62 62 ILE CB C 13 37.688 0.3 . 1 . . . . . 62 ILE CB . 17595 1 731 . 1 1 62 62 ILE CG1 C 13 29.307 0.3 . 1 . . . . . 62 ILE CG1 . 17595 1 732 . 1 1 62 62 ILE CG2 C 13 16.902 0.3 . 1 . . . . . 62 ILE CG2 . 17595 1 733 . 1 1 62 62 ILE CD1 C 13 13.491 0.3 . 1 . . . . . 62 ILE CD1 . 17595 1 734 . 1 1 62 62 ILE N N 15 123.056 0.3 . 1 . . . . . 62 ILE N . 17595 1 735 . 1 1 63 63 ASP H H 1 8.547 0.020 . 1 . . . . . 63 ASP H . 17595 1 736 . 1 1 63 63 ASP HA H 1 4.322 0.020 . 1 . . . . . 63 ASP HA . 17595 1 737 . 1 1 63 63 ASP HB2 H 1 2.732 0.020 . 1 . . . . . 63 ASP HB2 . 17595 1 738 . 1 1 63 63 ASP HB3 H 1 2.732 0.020 . 2 . . . . . 63 ASP HB3 . 17595 1 739 . 1 1 63 63 ASP C C 13 179.055 0.3 . 1 . . . . . 63 ASP C . 17595 1 740 . 1 1 63 63 ASP CA C 13 57.482 0.3 . 1 . . . . . 63 ASP CA . 17595 1 741 . 1 1 63 63 ASP CB C 13 40.051 0.3 . 1 . . . . . 63 ASP CB . 17595 1 742 . 1 1 63 63 ASP N N 15 118.355 0.3 . 1 . . . . . 63 ASP N . 17595 1 743 . 1 1 64 64 ARG H H 1 7.537 0.020 . 1 . . . . . 64 ARG H . 17595 1 744 . 1 1 64 64 ARG HA H 1 4.025 0.020 . 1 . . . . . 64 ARG HA . 17595 1 745 . 1 1 64 64 ARG HB2 H 1 1.805 0.020 . 1 . . . . . 64 ARG HB2 . 17595 1 746 . 1 1 64 64 ARG HB3 H 1 1.805 0.020 . 1 . . . . . 64 ARG HB3 . 17595 1 747 . 1 1 64 64 ARG HG2 H 1 1.300 0.020 . 1 . . . . . 64 ARG HG2 . 17595 1 748 . 1 1 64 64 ARG HG3 H 1 1.300 0.020 . 1 . . . . . 64 ARG HG3 . 17595 1 749 . 1 1 64 64 ARG HD2 H 1 3.026 0.020 . 1 . . . . . 64 ARG HD2 . 17595 1 750 . 1 1 64 64 ARG HD3 H 1 3.026 0.020 . 1 . . . . . 64 ARG HD3 . 17595 1 751 . 1 1 64 64 ARG C C 13 177.687 0.3 . 1 . . . . . 64 ARG C . 17595 1 752 . 1 1 64 64 ARG CA C 13 58.182 0.3 . 1 . . . . . 64 ARG CA . 17595 1 753 . 1 1 64 64 ARG CB C 13 29.070 0.3 . 1 . . . . . 64 ARG CB . 17595 1 754 . 1 1 64 64 ARG CG C 13 26.347 0.3 . 1 . . . . . 64 ARG CG . 17595 1 755 . 1 1 64 64 ARG CD C 13 42.578 0.3 . 1 . . . . . 64 ARG CD . 17595 1 756 . 1 1 64 64 ARG N N 15 119.966 0.3 . 1 . . . . . 64 ARG N . 17595 1 757 . 1 1 65 65 ILE H H 1 7.580 0.020 . 1 . . . . . 65 ILE H . 17595 1 758 . 1 1 65 65 ILE HA H 1 3.495 0.020 . 1 . . . . . 65 ILE HA . 17595 1 759 . 1 1 65 65 ILE HB H 1 2.276 0.020 . 1 . . . . . 65 ILE HB . 17595 1 760 . 1 1 65 65 ILE HG12 H 1 1.963 0.020 . 2 . . . . . 65 ILE HG12 . 17595 1 761 . 1 1 65 65 ILE HG13 H 1 1.136 0.020 . 2 . . . . . 65 ILE HG13 . 17595 1 762 . 1 1 65 65 ILE HG21 H 1 0.903 0.020 . 1 . . . . . 65 ILE HG2 . 17595 1 763 . 1 1 65 65 ILE HG22 H 1 0.903 0.020 . 1 . . . . . 65 ILE HG2 . 17595 1 764 . 1 1 65 65 ILE HG23 H 1 0.903 0.020 . 1 . . . . . 65 ILE HG2 . 17595 1 765 . 1 1 65 65 ILE HD11 H 1 0.413 0.020 . 1 . . . . . 65 ILE HD1 . 17595 1 766 . 1 1 65 65 ILE HD12 H 1 0.413 0.020 . 1 . . . . . 65 ILE HD1 . 17595 1 767 . 1 1 65 65 ILE HD13 H 1 0.413 0.020 . 1 . . . . . 65 ILE HD1 . 17595 1 768 . 1 1 65 65 ILE C C 13 177.952 0.3 . 1 . . . . . 65 ILE C . 17595 1 769 . 1 1 65 65 ILE CA C 13 62.197 0.3 . 1 . . . . . 65 ILE CA . 17595 1 770 . 1 1 65 65 ILE CB C 13 34.696 0.3 . 1 . . . . . 65 ILE CB . 17595 1 771 . 1 1 65 65 ILE CG1 C 13 27.427 0.3 . 1 . . . . . 65 ILE CG1 . 17595 1 772 . 1 1 65 65 ILE CG2 C 13 19.595 0.3 . 1 . . . . . 65 ILE CG2 . 17595 1 773 . 1 1 65 65 ILE CD1 C 13 10.169 0.3 . 1 . . . . . 65 ILE CD1 . 17595 1 774 . 1 1 65 65 ILE N N 15 118.440 0.3 . 1 . . . . . 65 ILE N . 17595 1 775 . 1 1 66 66 ILE H H 1 8.413 0.020 . 1 . . . . . 66 ILE H . 17595 1 776 . 1 1 66 66 ILE HA H 1 3.460 0.020 . 1 . . . . . 66 ILE HA . 17595 1 777 . 1 1 66 66 ILE HB H 1 1.949 0.020 . 1 . . . . . 66 ILE HB . 17595 1 778 . 1 1 66 66 ILE HG12 H 1 1.099 0.020 . 2 . . . . . 66 ILE HG12 . 17595 1 779 . 1 1 66 66 ILE HG13 H 1 0.836 0.020 . 2 . . . . . 66 ILE HG13 . 17595 1 780 . 1 1 66 66 ILE HG21 H 1 0.887 0.020 . 1 . . . . . 66 ILE HG2 . 17595 1 781 . 1 1 66 66 ILE HG22 H 1 0.887 0.020 . 1 . . . . . 66 ILE HG2 . 17595 1 782 . 1 1 66 66 ILE HG23 H 1 0.887 0.020 . 1 . . . . . 66 ILE HG2 . 17595 1 783 . 1 1 66 66 ILE HD11 H 1 0.841 0.020 . 1 . . . . . 66 ILE HD1 . 17595 1 784 . 1 1 66 66 ILE HD12 H 1 0.841 0.020 . 1 . . . . . 66 ILE HD1 . 17595 1 785 . 1 1 66 66 ILE HD13 H 1 0.841 0.020 . 1 . . . . . 66 ILE HD1 . 17595 1 786 . 1 1 66 66 ILE C C 13 177.687 0.3 . 1 . . . . . 66 ILE C . 17595 1 787 . 1 1 66 66 ILE CA C 13 65.413 0.3 . 1 . . . . . 66 ILE CA . 17595 1 788 . 1 1 66 66 ILE CB C 13 37.369 0.3 . 1 . . . . . 66 ILE CB . 17595 1 789 . 1 1 66 66 ILE CG1 C 13 29.356 0.3 . 1 . . . . . 66 ILE CG1 . 17595 1 790 . 1 1 66 66 ILE CG2 C 13 17.176 0.3 . 1 . . . . . 66 ILE CG2 . 17595 1 791 . 1 1 66 66 ILE CD1 C 13 12.635 0.3 . 1 . . . . . 66 ILE CD1 . 17595 1 792 . 1 1 66 66 ILE N N 15 120.222 0.3 . 1 . . . . . 66 ILE N . 17595 1 793 . 1 1 67 67 GLN H H 1 7.929 0.020 . 1 . . . . . 67 GLN H . 17595 1 794 . 1 1 67 67 GLN HA H 1 3.961 0.020 . 1 . . . . . 67 GLN HA . 17595 1 795 . 1 1 67 67 GLN HB2 H 1 2.391 0.020 . 2 . . . . . 67 GLN HB2 . 17595 1 796 . 1 1 67 67 GLN HB3 H 1 2.213 0.020 . 2 . . . . . 67 GLN HB3 . 17595 1 797 . 1 1 67 67 GLN HG2 H 1 2.451 0.020 . 2 . . . . . 67 GLN HG2 . 17595 1 798 . 1 1 67 67 GLN HG3 H 1 2.387 0.020 . 2 . . . . . 67 GLN HG3 . 17595 1 799 . 1 1 67 67 GLN HE21 H 1 7.617 0.020 . 1 . . . . . 67 GLN HE21 . 17595 1 800 . 1 1 67 67 GLN HE22 H 1 6.759 0.020 . 1 . . . . . 67 GLN HE22 . 17595 1 801 . 1 1 67 67 GLN C C 13 178.849 0.3 . 1 . . . . . 67 GLN C . 17595 1 802 . 1 1 67 67 GLN CA C 13 59.395 0.3 . 1 . . . . . 67 GLN CA . 17595 1 803 . 1 1 67 67 GLN CB C 13 27.968 0.3 . 1 . . . . . 67 GLN CB . 17595 1 804 . 1 1 67 67 GLN CG C 13 33.350 0.3 . 1 . . . . . 67 GLN CG . 17595 1 805 . 1 1 67 67 GLN N N 15 118.249 0.3 . 1 . . . . . 67 GLN N . 17595 1 806 . 1 1 67 67 GLN NE2 N 15 112.285 0.3 . 1 . . . . . 67 GLN NE2 . 17595 1 807 . 1 1 68 68 VAL H H 1 7.811 0.020 . 1 . . . . . 68 VAL H . 17595 1 808 . 1 1 68 68 VAL HA H 1 3.820 0.020 . 1 . . . . . 68 VAL HA . 17595 1 809 . 1 1 68 68 VAL HB H 1 2.058 0.020 . 1 . . . . . 68 VAL HB . 17595 1 810 . 1 1 68 68 VAL HG11 H 1 1.022 0.020 . 1 . . . . . 68 VAL HG1 . 17595 1 811 . 1 1 68 68 VAL HG12 H 1 1.022 0.020 . 1 . . . . . 68 VAL HG1 . 17595 1 812 . 1 1 68 68 VAL HG13 H 1 1.022 0.020 . 1 . . . . . 68 VAL HG1 . 17595 1 813 . 1 1 68 68 VAL HG21 H 1 0.935 0.020 . 1 . . . . . 68 VAL HG2 . 17595 1 814 . 1 1 68 68 VAL HG22 H 1 0.935 0.020 . 1 . . . . . 68 VAL HG2 . 17595 1 815 . 1 1 68 68 VAL HG23 H 1 0.935 0.020 . 1 . . . . . 68 VAL HG2 . 17595 1 816 . 1 1 68 68 VAL C C 13 178.442 0.3 . 1 . . . . . 68 VAL C . 17595 1 817 . 1 1 68 68 VAL CA C 13 65.745 0.3 . 1 . . . . . 68 VAL CA . 17595 1 818 . 1 1 68 68 VAL CB C 13 31.757 0.3 . 1 . . . . . 68 VAL CB . 17595 1 819 . 1 1 68 68 VAL CG1 C 13 22.595 0.3 . 1 . . . . . 68 VAL CG1 . 17595 1 820 . 1 1 68 68 VAL CG2 C 13 22.036 0.3 . 1 . . . . . 68 VAL CG2 . 17595 1 821 . 1 1 68 68 VAL N N 15 119.041 0.3 . 1 . . . . . 68 VAL N . 17595 1 822 . 1 1 69 69 ALA H H 1 8.824 0.020 . 1 . . . . . 69 ALA H . 17595 1 823 . 1 1 69 69 ALA HA H 1 3.939 0.020 . 1 . . . . . 69 ALA HA . 17595 1 824 . 1 1 69 69 ALA HB1 H 1 1.246 0.020 . 1 . . . . . 69 ALA HB . 17595 1 825 . 1 1 69 69 ALA HB2 H 1 1.246 0.020 . 1 . . . . . 69 ALA HB . 17595 1 826 . 1 1 69 69 ALA HB3 H 1 1.246 0.020 . 1 . . . . . 69 ALA HB . 17595 1 827 . 1 1 69 69 ALA C C 13 179.998 0.3 . 1 . . . . . 69 ALA C . 17595 1 828 . 1 1 69 69 ALA CA C 13 54.796 0.3 . 1 . . . . . 69 ALA CA . 17595 1 829 . 1 1 69 69 ALA CB C 13 17.835 0.3 . 1 . . . . . 69 ALA CB . 17595 1 830 . 1 1 69 69 ALA N N 15 122.910 0.3 . 1 . . . . . 69 ALA N . 17595 1 831 . 1 1 70 70 LYS H H 1 8.641 0.020 . 1 . . . . . 70 LYS H . 17595 1 832 . 1 1 70 70 LYS HA H 1 4.019 0.020 . 1 . . . . . 70 LYS HA . 17595 1 833 . 1 1 70 70 LYS HB2 H 1 1.977 0.020 . 2 . . . . . 70 LYS HB2 . 17595 1 834 . 1 1 70 70 LYS HB3 H 1 1.939 0.020 . 2 . . . . . 70 LYS HB3 . 17595 1 835 . 1 1 70 70 LYS HG2 H 1 1.657 0.020 . 2 . . . . . 70 LYS HG2 . 17595 1 836 . 1 1 70 70 LYS HG3 H 1 1.423 0.020 . 2 . . . . . 70 LYS HG3 . 17595 1 837 . 1 1 70 70 LYS HE2 H 1 2.910 0.020 . 2 . . . . . 70 LYS HE2 . 17595 1 838 . 1 1 70 70 LYS HE3 H 1 2.857 0.020 . 2 . . . . . 70 LYS HE3 . 17595 1 839 . 1 1 70 70 LYS C C 13 179.505 0.3 . 1 . . . . . 70 LYS C . 17595 1 840 . 1 1 70 70 LYS CA C 13 59.802 0.3 . 1 . . . . . 70 LYS CA . 17595 1 841 . 1 1 70 70 LYS CB C 13 32.580 0.3 . 1 . . . . . 70 LYS CB . 17595 1 842 . 1 1 70 70 LYS CG C 13 25.813 0.3 . 1 . . . . . 70 LYS CG . 17595 1 843 . 1 1 70 70 LYS CD C 13 29.573 0.3 . 1 . . . . . 70 LYS CD . 17595 1 844 . 1 1 70 70 LYS CE C 13 41.737 0.3 . 1 . . . . . 70 LYS CE . 17595 1 845 . 1 1 70 70 LYS N N 15 119.460 0.3 . 1 . . . . . 70 LYS N . 17595 1 846 . 1 1 71 71 GLU H H 1 7.965 0.020 . 1 . . . . . 71 GLU H . 17595 1 847 . 1 1 71 71 GLU HA H 1 4.126 0.020 . 1 . . . . . 71 GLU HA . 17595 1 848 . 1 1 71 71 GLU HB2 H 1 2.188 0.020 . 1 . . . . . 71 GLU HB2 . 17595 1 849 . 1 1 71 71 GLU HB3 H 1 2.188 0.020 . 1 . . . . . 71 GLU HB3 . 17595 1 850 . 1 1 71 71 GLU C C 13 178.341 0.3 . 1 . . . . . 71 GLU C . 17595 1 851 . 1 1 71 71 GLU CA C 13 58.836 0.3 . 1 . . . . . 71 GLU CA . 17595 1 852 . 1 1 71 71 GLU CB C 13 29.393 0.3 . 1 . . . . . 71 GLU CB . 17595 1 853 . 1 1 71 71 GLU CG C 13 36.259 0.3 . 1 . . . . . 71 GLU CG . 17595 1 854 . 1 1 71 71 GLU N N 15 119.872 0.3 . 1 . . . . . 71 GLU N . 17595 1 855 . 1 1 72 72 THR H H 1 7.799 0.020 . 1 . . . . . 72 THR H . 17595 1 856 . 1 1 72 72 THR HA H 1 4.352 0.020 . 1 . . . . . 72 THR HA . 17595 1 857 . 1 1 72 72 THR HB H 1 4.313 0.020 . 1 . . . . . 72 THR HB . 17595 1 858 . 1 1 72 72 THR HG21 H 1 1.226 0.020 . 1 . . . . . 72 THR HG2 . 17595 1 859 . 1 1 72 72 THR HG22 H 1 1.226 0.020 . 1 . . . . . 72 THR HG2 . 17595 1 860 . 1 1 72 72 THR HG23 H 1 1.226 0.020 . 1 . . . . . 72 THR HG2 . 17595 1 861 . 1 1 72 72 THR C C 13 175.772 0.3 . 1 . . . . . 72 THR C . 17595 1 862 . 1 1 72 72 THR CA C 13 62.332 0.3 . 1 . . . . . 72 THR CA . 17595 1 863 . 1 1 72 72 THR CB C 13 70.369 0.3 . 1 . . . . . 72 THR CB . 17595 1 864 . 1 1 72 72 THR CG2 C 13 22.073 0.3 . 1 . . . . . 72 THR CG2 . 17595 1 865 . 1 1 72 72 THR N N 15 107.140 0.3 . 1 . . . . . 72 THR N . 17595 1 866 . 1 1 73 73 GLY H H 1 7.668 0.020 . 1 . . . . . 73 GLY H . 17595 1 867 . 1 1 73 73 GLY HA2 H 1 4.203 0.020 . 2 . . . . . 73 GLY HA2 . 17595 1 868 . 1 1 73 73 GLY HA3 H 1 3.948 0.020 . 2 . . . . . 73 GLY HA3 . 17595 1 869 . 1 1 73 73 GLY C C 13 174.856 0.3 . 1 . . . . . 73 GLY C . 17595 1 870 . 1 1 73 73 GLY CA C 13 45.930 0.3 . 1 . . . . . 73 GLY CA . 17595 1 871 . 1 1 73 73 GLY N N 15 109.329 0.3 . 1 . . . . . 73 GLY N . 17595 1 872 . 1 1 74 74 GLU H H 1 8.169 0.020 . 1 . . . . . 74 GLU H . 17595 1 873 . 1 1 74 74 GLU HA H 1 4.516 0.020 . 1 . . . . . 74 GLU HA . 17595 1 874 . 1 1 74 74 GLU HB2 H 1 2.177 0.020 . 1 . . . . . 74 GLU HB2 . 17595 1 875 . 1 1 74 74 GLU HB3 H 1 2.177 0.020 . 2 . . . . . 74 GLU HB3 . 17595 1 876 . 1 1 74 74 GLU C C 13 177.003 0.3 . 1 . . . . . 74 GLU C . 17595 1 877 . 1 1 74 74 GLU CA C 13 56.183 0.3 . 1 . . . . . 74 GLU CA . 17595 1 878 . 1 1 74 74 GLU CB C 13 30.392 0.3 . 1 . . . . . 74 GLU CB . 17595 1 879 . 1 1 74 74 GLU CG C 13 35.356 0.3 . 1 . . . . . 74 GLU CG . 17595 1 880 . 1 1 74 74 GLU N N 15 118.619 0.3 . 1 . . . . . 74 GLU N . 17595 1 881 . 1 1 75 75 VAL H H 1 7.431 0.020 . 1 . . . . . 75 VAL H . 17595 1 882 . 1 1 75 75 VAL HA H 1 3.697 0.020 . 1 . . . . . 75 VAL HA . 17595 1 883 . 1 1 75 75 VAL HB H 1 1.747 0.020 . 1 . . . . . 75 VAL HB . 17595 1 884 . 1 1 75 75 VAL HG11 H 1 0.986 0.020 . 1 . . . . . 75 VAL HG1 . 17595 1 885 . 1 1 75 75 VAL HG12 H 1 0.986 0.020 . 1 . . . . . 75 VAL HG1 . 17595 1 886 . 1 1 75 75 VAL HG13 H 1 0.986 0.020 . 1 . . . . . 75 VAL HG1 . 17595 1 887 . 1 1 75 75 VAL HG21 H 1 0.949 0.020 . 1 . . . . . 75 VAL HG2 . 17595 1 888 . 1 1 75 75 VAL HG22 H 1 0.949 0.020 . 1 . . . . . 75 VAL HG2 . 17595 1 889 . 1 1 75 75 VAL HG23 H 1 0.949 0.020 . 1 . . . . . 75 VAL HG2 . 17595 1 890 . 1 1 75 75 VAL C C 13 175.152 0.3 . 1 . . . . . 75 VAL C . 17595 1 891 . 1 1 75 75 VAL CA C 13 64.682 0.3 . 1 . . . . . 75 VAL CA . 17595 1 892 . 1 1 75 75 VAL CB C 13 31.757 0.3 . 1 . . . . . 75 VAL CB . 17595 1 893 . 1 1 75 75 VAL CG1 C 13 21.595 0.3 . 1 . . . . . 75 VAL CG1 . 17595 1 894 . 1 1 75 75 VAL CG2 C 13 19.615 0.3 . 1 . . . . . 75 VAL CG2 . 17595 1 895 . 1 1 75 75 VAL N N 15 119.348 0.3 . 1 . . . . . 75 VAL N . 17595 1 896 . 1 1 76 76 ASN H H 1 8.277 0.020 . 1 . . . . . 76 ASN H . 17595 1 897 . 1 1 76 76 ASN HA H 1 4.647 0.020 . 1 . . . . . 76 ASN HA . 17595 1 898 . 1 1 76 76 ASN HB2 H 1 2.841 0.020 . 2 . . . . . 76 ASN HB2 . 17595 1 899 . 1 1 76 76 ASN HB3 H 1 2.736 0.020 . 2 . . . . . 76 ASN HB3 . 17595 1 900 . 1 1 76 76 ASN HD21 H 1 7.585 0.020 . 1 . . . . . 76 ASN HD21 . 17595 1 901 . 1 1 76 76 ASN HD22 H 1 6.849 0.020 . 1 . . . . . 76 ASN HD22 . 17595 1 902 . 1 1 76 76 ASN C C 13 175.344 0.3 . 1 . . . . . 76 ASN C . 17595 1 903 . 1 1 76 76 ASN CA C 13 54.448 0.3 . 1 . . . . . 76 ASN CA . 17595 1 904 . 1 1 76 76 ASN CB C 13 38.272 0.3 . 1 . . . . . 76 ASN CB . 17595 1 905 . 1 1 76 76 ASN N N 15 117.648 0.3 . 1 . . . . . 76 ASN N . 17595 1 906 . 1 1 76 76 ASN ND2 N 15 112.690 0.3 . 1 . . . . . 76 ASN ND2 . 17595 1 907 . 1 1 77 77 GLU H H 1 7.864 0.020 . 1 . . . . . 77 GLU H . 17595 1 908 . 1 1 77 77 GLU HA H 1 4.358 0.020 . 1 . . . . . 77 GLU HA . 17595 1 909 . 1 1 77 77 GLU HB2 H 1 2.252 0.020 . 2 . . . . . 77 GLU HB2 . 17595 1 910 . 1 1 77 77 GLU HB3 H 1 1.849 0.020 . 2 . . . . . 77 GLU HB3 . 17595 1 911 . 1 1 77 77 GLU C C 13 175.909 0.3 . 1 . . . . . 77 GLU C . 17595 1 912 . 1 1 77 77 GLU CA C 13 56.027 0.3 . 1 . . . . . 77 GLU CA . 17595 1 913 . 1 1 77 77 GLU CB C 13 30.197 0.3 . 1 . . . . . 77 GLU CB . 17595 1 914 . 1 1 77 77 GLU CG C 13 36.813 0.3 . 1 . . . . . 77 GLU CG . 17595 1 915 . 1 1 77 77 GLU N N 15 117.521 0.3 . 1 . . . . . 77 GLU N . 17595 1 916 . 1 1 78 78 LEU H H 1 7.178 0.020 . 1 . . . . . 78 LEU H . 17595 1 917 . 1 1 78 78 LEU HA H 1 4.673 0.020 . 1 . . . . . 78 LEU HA . 17595 1 918 . 1 1 78 78 LEU HB2 H 1 1.716 0.020 . 2 . . . . . 78 LEU HB2 . 17595 1 919 . 1 1 78 78 LEU HB3 H 1 1.470 0.020 . 2 . . . . . 78 LEU HB3 . 17595 1 920 . 1 1 78 78 LEU HG H 1 0.635 0.020 . 1 . . . . . 78 LEU HG . 17595 1 921 . 1 1 78 78 LEU HD11 H 1 1.222 0.020 . 1 . . . . . 78 LEU HD1 . 17595 1 922 . 1 1 78 78 LEU HD12 H 1 1.222 0.020 . 1 . . . . . 78 LEU HD1 . 17595 1 923 . 1 1 78 78 LEU HD13 H 1 1.222 0.020 . 1 . . . . . 78 LEU HD1 . 17595 1 924 . 1 1 78 78 LEU HD21 H 1 0.644 0.020 . 1 . . . . . 78 LEU HD2 . 17595 1 925 . 1 1 78 78 LEU HD22 H 1 0.644 0.020 . 1 . . . . . 78 LEU HD2 . 17595 1 926 . 1 1 78 78 LEU HD23 H 1 0.644 0.020 . 1 . . . . . 78 LEU HD2 . 17595 1 927 . 1 1 78 78 LEU C C 13 176.581 0.3 . 1 . . . . . 78 LEU C . 17595 1 928 . 1 1 78 78 LEU CA C 13 53.821 0.3 . 1 . . . . . 78 LEU CA . 17595 1 929 . 1 1 78 78 LEU CB C 13 43.331 0.3 . 1 . . . . . 78 LEU CB . 17595 1 930 . 1 1 78 78 LEU CG C 13 26.337 0.3 . 1 . . . . . 78 LEU CG . 17595 1 931 . 1 1 78 78 LEU CD1 C 13 23.761 0.3 . 1 . . . . . 78 LEU CD1 . 17595 1 932 . 1 1 78 78 LEU CD2 C 13 21.716 0.3 . 1 . . . . . 78 LEU CD2 . 17595 1 933 . 1 1 78 78 LEU N N 15 119.109 0.3 . 1 . . . . . 78 LEU N . 17595 1 934 . 1 1 79 79 SER H H 1 9.273 0.020 . 1 . . . . . 79 SER H . 17595 1 935 . 1 1 79 79 SER HA H 1 4.560 0.020 . 1 . . . . . 79 SER HA . 17595 1 936 . 1 1 79 79 SER HB2 H 1 3.967 0.020 . 1 . . . . . 79 SER HB2 . 17595 1 937 . 1 1 79 79 SER HB3 H 1 4.363 0.020 . 1 . . . . . 79 SER HB3 . 17595 1 938 . 1 1 79 79 SER C C 13 174.172 0.3 . 1 . . . . . 79 SER C . 17595 1 939 . 1 1 79 79 SER CA C 13 56.361 0.3 . 1 . . . . . 79 SER CA . 17595 1 940 . 1 1 79 79 SER CB C 13 65.728 0.3 . 1 . . . . . 79 SER CB . 17595 1 941 . 1 1 79 79 SER N N 15 120.457 0.3 . 1 . . . . . 79 SER N . 17595 1 942 . 1 1 80 80 LYS H H 1 8.583 0.020 . 1 . . . . . 80 LYS H . 17595 1 943 . 1 1 80 80 LYS HA H 1 3.948 0.020 . 1 . . . . . 80 LYS HA . 17595 1 944 . 1 1 80 80 LYS HB2 H 1 1.886 0.020 . 2 . . . . . 80 LYS HB2 . 17595 1 945 . 1 1 80 80 LYS HB3 H 1 1.778 0.020 . 2 . . . . . 80 LYS HB3 . 17595 1 946 . 1 1 80 80 LYS HG2 H 1 1.505 0.020 . 2 . . . . . 80 LYS HG2 . 17595 1 947 . 1 1 80 80 LYS HG3 H 1 1.343 0.020 . 2 . . . . . 80 LYS HG3 . 17595 1 948 . 1 1 80 80 LYS HD2 H 1 1.681 0.020 . 1 . . . . . 80 LYS HD2 . 17595 1 949 . 1 1 80 80 LYS HD3 H 1 1.681 0.020 . 1 . . . . . 80 LYS HD3 . 17595 1 950 . 1 1 80 80 LYS HE2 H 1 2.877 0.020 . 2 . . . . . 80 LYS HE2 . 17595 1 951 . 1 1 80 80 LYS HE3 H 1 3.087 0.020 . 2 . . . . . 80 LYS HE3 . 17595 1 952 . 1 1 80 80 LYS C C 13 178.557 0.3 . 1 . . . . . 80 LYS C . 17595 1 953 . 1 1 80 80 LYS CA C 13 60.776 0.3 . 1 . . . . . 80 LYS CA . 17595 1 954 . 1 1 80 80 LYS CB C 13 32.544 0.3 . 1 . . . . . 80 LYS CB . 17595 1 955 . 1 1 80 80 LYS CG C 13 24.733 0.3 . 1 . . . . . 80 LYS CG . 17595 1 956 . 1 1 80 80 LYS CD C 13 29.568 0.3 . 1 . . . . . 80 LYS CD . 17595 1 957 . 1 1 80 80 LYS CE C 13 43.654 0.3 . 1 . . . . . 80 LYS CE . 17595 1 958 . 1 1 80 80 LYS N N 15 120.724 0.3 . 1 . . . . . 80 LYS N . 17595 1 959 . 1 1 81 81 ALA H H 1 8.162 0.020 . 1 . . . . . 81 ALA H . 17595 1 960 . 1 1 81 81 ALA HA H 1 3.972 0.020 . 1 . . . . . 81 ALA HA . 17595 1 961 . 1 1 81 81 ALA HB1 H 1 1.202 0.020 . 1 . . . . . 81 ALA HB . 17595 1 962 . 1 1 81 81 ALA HB2 H 1 1.202 0.020 . 1 . . . . . 81 ALA HB . 17595 1 963 . 1 1 81 81 ALA HB3 H 1 1.202 0.020 . 1 . . . . . 81 ALA HB . 17595 1 964 . 1 1 81 81 ALA C C 13 177.837 0.3 . 1 . . . . . 81 ALA C . 17595 1 965 . 1 1 81 81 ALA CA C 13 55.245 0.3 . 1 . . . . . 81 ALA CA . 17595 1 966 . 1 1 81 81 ALA CB C 13 18.348 0.3 . 1 . . . . . 81 ALA CB . 17595 1 967 . 1 1 81 81 ALA N N 15 119.810 0.3 . 1 . . . . . 81 ALA N . 17595 1 968 . 1 1 82 82 ASP H H 1 7.793 0.020 . 1 . . . . . 82 ASP H . 17595 1 969 . 1 1 82 82 ASP HA H 1 4.160 0.020 . 1 . . . . . 82 ASP HA . 17595 1 970 . 1 1 82 82 ASP HB2 H 1 3.024 0.020 . 2 . . . . . 82 ASP HB2 . 17595 1 971 . 1 1 82 82 ASP HB3 H 1 2.365 0.020 . 2 . . . . . 82 ASP HB3 . 17595 1 972 . 1 1 82 82 ASP C C 13 177.948 0.3 . 1 . . . . . 82 ASP C . 17595 1 973 . 1 1 82 82 ASP CA C 13 57.100 0.3 . 1 . . . . . 82 ASP CA . 17595 1 974 . 1 1 82 82 ASP CB C 13 41.201 0.3 . 1 . . . . . 82 ASP CB . 17595 1 975 . 1 1 82 82 ASP N N 15 117.428 0.3 . 1 . . . . . 82 ASP N . 17595 1 976 . 1 1 83 83 ILE H H 1 7.855 0.020 . 1 . . . . . 83 ILE H . 17595 1 977 . 1 1 83 83 ILE HA H 1 3.502 0.020 . 1 . . . . . 83 ILE HA . 17595 1 978 . 1 1 83 83 ILE HB H 1 1.988 0.020 . 1 . . . . . 83 ILE HB . 17595 1 979 . 1 1 83 83 ILE HG12 H 1 1.667 0.020 . 2 . . . . . 83 ILE HG12 . 17595 1 980 . 1 1 83 83 ILE HG13 H 1 0.909 0.020 . 2 . . . . . 83 ILE HG13 . 17595 1 981 . 1 1 83 83 ILE HG21 H 1 1.259 0.020 . 1 . . . . . 83 ILE HG2 . 17595 1 982 . 1 1 83 83 ILE HG22 H 1 1.259 0.020 . 1 . . . . . 83 ILE HG2 . 17595 1 983 . 1 1 83 83 ILE HG23 H 1 1.259 0.020 . 1 . . . . . 83 ILE HG2 . 17595 1 984 . 1 1 83 83 ILE HD11 H 1 0.716 0.020 . 1 . . . . . 83 ILE HD1 . 17595 1 985 . 1 1 83 83 ILE HD12 H 1 0.716 0.020 . 1 . . . . . 83 ILE HD1 . 17595 1 986 . 1 1 83 83 ILE HD13 H 1 0.716 0.020 . 1 . . . . . 83 ILE HD1 . 17595 1 987 . 1 1 83 83 ILE C C 13 177.509 0.3 . 1 . . . . . 83 ILE C . 17595 1 988 . 1 1 83 83 ILE CA C 13 64.876 0.3 . 1 . . . . . 83 ILE CA . 17595 1 989 . 1 1 83 83 ILE CB C 13 37.663 0.3 . 1 . . . . . 83 ILE CB . 17595 1 990 . 1 1 83 83 ILE CG1 C 13 30.127 0.3 . 1 . . . . . 83 ILE CG1 . 17595 1 991 . 1 1 83 83 ILE CG2 C 13 17.973 0.3 . 1 . . . . . 83 ILE CG2 . 17595 1 992 . 1 1 83 83 ILE CD1 C 13 12.595 0.3 . 1 . . . . . 83 ILE CD1 . 17595 1 993 . 1 1 83 83 ILE N N 15 117.303 0.3 . 1 . . . . . 83 ILE N . 17595 1 994 . 1 1 84 84 GLU H H 1 8.160 0.020 . 1 . . . . . 84 GLU H . 17595 1 995 . 1 1 84 84 GLU HA H 1 3.823 0.020 . 1 . . . . . 84 GLU HA . 17595 1 996 . 1 1 84 84 GLU HB2 H 1 2.283 0.020 . 2 . . . . . 84 GLU HB2 . 17595 1 997 . 1 1 84 84 GLU HB3 H 1 2.016 0.020 . 2 . . . . . 84 GLU HB3 . 17595 1 998 . 1 1 84 84 GLU HG2 H 1 2.728 0.020 . 2 . . . . . 84 GLU HG2 . 17595 1 999 . 1 1 84 84 GLU HG3 H 1 2.093 0.020 . 2 . . . . . 84 GLU HG3 . 17595 1 1000 . 1 1 84 84 GLU C C 13 178.524 0.3 . 1 . . . . . 84 GLU C . 17595 1 1001 . 1 1 84 84 GLU CA C 13 60.579 0.3 . 1 . . . . . 84 GLU CA . 17595 1 1002 . 1 1 84 84 GLU CB C 13 30.150 0.3 . 1 . . . . . 84 GLU CB . 17595 1 1003 . 1 1 84 84 GLU CG C 13 37.933 0.3 . 1 . . . . . 84 GLU CG . 17595 1 1004 . 1 1 84 84 GLU N N 15 118.547 0.3 . 1 . . . . . 84 GLU N . 17595 1 1005 . 1 1 85 85 VAL H H 1 8.848 0.020 . 1 . . . . . 85 VAL H . 17595 1 1006 . 1 1 85 85 VAL HA H 1 3.623 0.020 . 1 . . . . . 85 VAL HA . 17595 1 1007 . 1 1 85 85 VAL HB H 1 2.269 0.020 . 1 . . . . . 85 VAL HB . 17595 1 1008 . 1 1 85 85 VAL HG11 H 1 1.189 0.020 . 1 . . . . . 85 VAL HG1 . 17595 1 1009 . 1 1 85 85 VAL HG12 H 1 1.189 0.020 . 1 . . . . . 85 VAL HG1 . 17595 1 1010 . 1 1 85 85 VAL HG13 H 1 1.189 0.020 . 1 . . . . . 85 VAL HG1 . 17595 1 1011 . 1 1 85 85 VAL HG21 H 1 0.965 0.020 . 1 . . . . . 85 VAL HG2 . 17595 1 1012 . 1 1 85 85 VAL HG22 H 1 0.965 0.020 . 1 . . . . . 85 VAL HG2 . 17595 1 1013 . 1 1 85 85 VAL HG23 H 1 0.965 0.020 . 1 . . . . . 85 VAL HG2 . 17595 1 1014 . 1 1 85 85 VAL C C 13 178.074 0.3 . 1 . . . . . 85 VAL C . 17595 1 1015 . 1 1 85 85 VAL CA C 13 66.766 0.3 . 1 . . . . . 85 VAL CA . 17595 1 1016 . 1 1 85 85 VAL CB C 13 31.445 0.3 . 1 . . . . . 85 VAL CB . 17595 1 1017 . 1 1 85 85 VAL CG1 C 13 23.745 0.3 . 1 . . . . . 85 VAL CG1 . 17595 1 1018 . 1 1 85 85 VAL CG2 C 13 21.400 0.3 . 1 . . . . . 85 VAL CG2 . 17595 1 1019 . 1 1 85 85 VAL N N 15 120.337 0.3 . 1 . . . . . 85 VAL N . 17595 1 1020 . 1 1 86 86 LEU H H 1 7.850 0.020 . 1 . . . . . 86 LEU H . 17595 1 1021 . 1 1 86 86 LEU HA H 1 3.789 0.020 . 1 . . . . . 86 LEU HA . 17595 1 1022 . 1 1 86 86 LEU HB2 H 1 2.171 0.020 . 2 . . . . . 86 LEU HB2 . 17595 1 1023 . 1 1 86 86 LEU HB3 H 1 1.122 0.020 . 2 . . . . . 86 LEU HB3 . 17595 1 1024 . 1 1 86 86 LEU HG H 1 1.730 0.020 . 1 . . . . . 86 LEU HG . 17595 1 1025 . 1 1 86 86 LEU HD11 H 1 0.930 0.020 . 1 . . . . . 86 LEU HD1 . 17595 1 1026 . 1 1 86 86 LEU HD12 H 1 0.930 0.020 . 1 . . . . . 86 LEU HD1 . 17595 1 1027 . 1 1 86 86 LEU HD13 H 1 0.930 0.020 . 1 . . . . . 86 LEU HD1 . 17595 1 1028 . 1 1 86 86 LEU HD21 H 1 0.921 0.020 . 1 . . . . . 86 LEU HD2 . 17595 1 1029 . 1 1 86 86 LEU HD22 H 1 0.921 0.020 . 1 . . . . . 86 LEU HD2 . 17595 1 1030 . 1 1 86 86 LEU HD23 H 1 0.921 0.020 . 1 . . . . . 86 LEU HD2 . 17595 1 1031 . 1 1 86 86 LEU C C 13 178.045 0.3 . 1 . . . . . 86 LEU C . 17595 1 1032 . 1 1 86 86 LEU CA C 13 58.411 0.3 . 1 . . . . . 86 LEU CA . 17595 1 1033 . 1 1 86 86 LEU CB C 13 43.282 0.3 . 1 . . . . . 86 LEU CB . 17595 1 1034 . 1 1 86 86 LEU CG C 13 27.948 0.3 . 1 . . . . . 86 LEU CG . 17595 1 1035 . 1 1 86 86 LEU CD1 C 13 26.333 0.3 . 1 . . . . . 86 LEU CD1 . 17595 1 1036 . 1 1 86 86 LEU CD2 C 13 23.328 0.3 . 1 . . . . . 86 LEU CD2 . 17595 1 1037 . 1 1 86 86 LEU N N 15 120.523 0.3 . 1 . . . . . 86 LEU N . 17595 1 1038 . 1 1 87 87 ALA H H 1 8.704 0.020 . 1 . . . . . 87 ALA H . 17595 1 1039 . 1 1 87 87 ALA HA H 1 3.867 0.020 . 1 . . . . . 87 ALA HA . 17595 1 1040 . 1 1 87 87 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 87 ALA HB . 17595 1 1041 . 1 1 87 87 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 87 ALA HB . 17595 1 1042 . 1 1 87 87 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 87 ALA HB . 17595 1 1043 . 1 1 87 87 ALA C C 13 179.013 0.3 . 1 . . . . . 87 ALA C . 17595 1 1044 . 1 1 87 87 ALA CA C 13 54.973 0.3 . 1 . . . . . 87 ALA CA . 17595 1 1045 . 1 1 87 87 ALA CB C 13 18.791 0.3 . 1 . . . . . 87 ALA CB . 17595 1 1046 . 1 1 87 87 ALA N N 15 120.596 0.3 . 1 . . . . . 87 ALA N . 17595 1 1047 . 1 1 88 88 LEU H H 1 8.831 0.020 . 1 . . . . . 88 LEU H . 17595 1 1048 . 1 1 88 88 LEU HA H 1 4.067 0.020 . 1 . . . . . 88 LEU HA . 17595 1 1049 . 1 1 88 88 LEU HB2 H 1 1.918 0.020 . 2 . . . . . 88 LEU HB2 . 17595 1 1050 . 1 1 88 88 LEU HB3 H 1 1.293 0.020 . 2 . . . . . 88 LEU HB3 . 17595 1 1051 . 1 1 88 88 LEU HG H 1 0.705 0.020 . 1 . . . . . 88 LEU HG . 17595 1 1052 . 1 1 88 88 LEU HD11 H 1 0.823 0.020 . 1 . . . . . 88 LEU HD1 . 17595 1 1053 . 1 1 88 88 LEU HD12 H 1 0.823 0.020 . 1 . . . . . 88 LEU HD1 . 17595 1 1054 . 1 1 88 88 LEU HD13 H 1 0.823 0.020 . 1 . . . . . 88 LEU HD1 . 17595 1 1055 . 1 1 88 88 LEU HD21 H 1 0.639 0.020 . 1 . . . . . 88 LEU HD2 . 17595 1 1056 . 1 1 88 88 LEU HD22 H 1 0.639 0.020 . 1 . . . . . 88 LEU HD2 . 17595 1 1057 . 1 1 88 88 LEU HD23 H 1 0.639 0.020 . 1 . . . . . 88 LEU HD2 . 17595 1 1058 . 1 1 88 88 LEU C C 13 178.211 0.3 . 1 . . . . . 88 LEU C . 17595 1 1059 . 1 1 88 88 LEU CA C 13 57.610 0.3 . 1 . . . . . 88 LEU CA . 17595 1 1060 . 1 1 88 88 LEU CB C 13 41.811 0.3 . 1 . . . . . 88 LEU CB . 17595 1 1061 . 1 1 88 88 LEU CG C 13 27.117 0.3 . 1 . . . . . 88 LEU CG . 17595 1 1062 . 1 1 88 88 LEU CD1 C 13 25.549 0.3 . 1 . . . . . 88 LEU CD1 . 17595 1 1063 . 1 1 88 88 LEU CD2 C 13 22.857 0.3 . 1 . . . . . 88 LEU CD2 . 17595 1 1064 . 1 1 88 88 LEU N N 15 119.230 0.3 . 1 . . . . . 88 LEU N . 17595 1 1065 . 1 1 89 89 ALA H H 1 8.423 0.020 . 1 . . . . . 89 ALA H . 17595 1 1066 . 1 1 89 89 ALA HA H 1 3.686 0.020 . 1 . . . . . 89 ALA HA . 17595 1 1067 . 1 1 89 89 ALA HB1 H 1 1.389 0.020 . 1 . . . . . 89 ALA HB . 17595 1 1068 . 1 1 89 89 ALA HB2 H 1 1.389 0.020 . 1 . . . . . 89 ALA HB . 17595 1 1069 . 1 1 89 89 ALA HB3 H 1 1.389 0.020 . 1 . . . . . 89 ALA HB . 17595 1 1070 . 1 1 89 89 ALA C C 13 179.191 0.3 . 1 . . . . . 89 ALA C . 17595 1 1071 . 1 1 89 89 ALA CA C 13 56.200 0.3 . 1 . . . . . 89 ALA CA . 17595 1 1072 . 1 1 89 89 ALA CB C 13 18.177 0.3 . 1 . . . . . 89 ALA CB . 17595 1 1073 . 1 1 89 89 ALA N N 15 120.223 0.3 . 1 . . . . . 89 ALA N . 17595 1 1074 . 1 1 90 90 TYR H H 1 8.688 0.020 . 1 . . . . . 90 TYR H . 17595 1 1075 . 1 1 90 90 TYR HA H 1 4.150 0.020 . 1 . . . . . 90 TYR HA . 17595 1 1076 . 1 1 90 90 TYR HB2 H 1 3.349 0.020 . 2 . . . . . 90 TYR HB2 . 17595 1 1077 . 1 1 90 90 TYR HB3 H 1 3.109 0.020 . 2 . . . . . 90 TYR HB3 . 17595 1 1078 . 1 1 90 90 TYR HD1 H 1 7.076 0.020 . 1 . . . . . 90 TYR HD1 . 17595 1 1079 . 1 1 90 90 TYR HD2 H 1 7.076 0.020 . 1 . . . . . 90 TYR HD2 . 17595 1 1080 . 1 1 90 90 TYR HE1 H 1 6.922 0.020 . 1 . . . . . 90 TYR HE1 . 17595 1 1081 . 1 1 90 90 TYR HE2 H 1 6.922 0.020 . 1 . . . . . 90 TYR HE2 . 17595 1 1082 . 1 1 90 90 TYR C C 13 177.663 0.3 . 1 . . . . . 90 TYR C . 17595 1 1083 . 1 1 90 90 TYR CA C 13 61.672 0.3 . 1 . . . . . 90 TYR CA . 17595 1 1084 . 1 1 90 90 TYR CB C 13 38.676 0.3 . 1 . . . . . 90 TYR CB . 17595 1 1085 . 1 1 90 90 TYR CD1 C 13 132.594 0.3 . 1 . . . . . 90 TYR CD1 . 17595 1 1086 . 1 1 90 90 TYR CE1 C 13 118.284 0.3 . 1 . . . . . 90 TYR CE1 . 17595 1 1087 . 1 1 90 90 TYR N N 15 117.864 0.3 . 1 . . . . . 90 TYR N . 17595 1 1088 . 1 1 91 91 GLU H H 1 8.557 0.020 . 1 . . . . . 91 GLU H . 17595 1 1089 . 1 1 91 91 GLU HA H 1 3.798 0.020 . 1 . . . . . 91 GLU HA . 17595 1 1090 . 1 1 91 91 GLU HB2 H 1 2.540 0.020 . 2 . . . . . 91 GLU HB2 . 17595 1 1091 . 1 1 91 91 GLU HB3 H 1 2.183 0.020 . 2 . . . . . 91 GLU HB3 . 17595 1 1092 . 1 1 91 91 GLU C C 13 178.380 0.3 . 1 . . . . . 91 GLU C . 17595 1 1093 . 1 1 91 91 GLU CA C 13 59.603 0.3 . 1 . . . . . 91 GLU CA . 17595 1 1094 . 1 1 91 91 GLU CB C 13 30.958 0.3 . 1 . . . . . 91 GLU CB . 17595 1 1095 . 1 1 91 91 GLU CG C 13 36.420 0.3 . 1 . . . . . 91 GLU CG . 17595 1 1096 . 1 1 91 91 GLU N N 15 121.649 0.3 . 1 . . . . . 91 GLU N . 17595 1 1097 . 1 1 92 92 LEU H H 1 8.143 0.020 . 1 . . . . . 92 LEU H . 17595 1 1098 . 1 1 92 92 LEU HA H 1 4.148 0.020 . 1 . . . . . 92 LEU HA . 17595 1 1099 . 1 1 92 92 LEU HB2 H 1 1.362 0.020 . 2 . . . . . 92 LEU HB2 . 17595 1 1100 . 1 1 92 92 LEU HB3 H 1 1.331 0.020 . 2 . . . . . 92 LEU HB3 . 17595 1 1101 . 1 1 92 92 LEU HG H 1 1.623 0.020 . 1 . . . . . 92 LEU HG . 17595 1 1102 . 1 1 92 92 LEU HD11 H 1 0.191 0.020 . 1 . . . . . 92 LEU HD1 . 17595 1 1103 . 1 1 92 92 LEU HD12 H 1 0.191 0.020 . 1 . . . . . 92 LEU HD1 . 17595 1 1104 . 1 1 92 92 LEU HD13 H 1 0.191 0.020 . 1 . . . . . 92 LEU HD1 . 17595 1 1105 . 1 1 92 92 LEU HD21 H 1 0.587 0.020 . 1 . . . . . 92 LEU HD2 . 17595 1 1106 . 1 1 92 92 LEU HD22 H 1 0.587 0.020 . 1 . . . . . 92 LEU HD2 . 17595 1 1107 . 1 1 92 92 LEU HD23 H 1 0.587 0.020 . 1 . . . . . 92 LEU HD2 . 17595 1 1108 . 1 1 92 92 LEU C C 13 176.466 0.3 . 1 . . . . . 92 LEU C . 17595 1 1109 . 1 1 92 92 LEU CA C 13 54.622 0.3 . 1 . . . . . 92 LEU CA . 17595 1 1110 . 1 1 92 92 LEU CB C 13 41.972 0.3 . 1 . . . . . 92 LEU CB . 17595 1 1111 . 1 1 92 92 LEU CG C 13 26.269 0.3 . 1 . . . . . 92 LEU CG . 17595 1 1112 . 1 1 92 92 LEU CD1 C 13 25.001 0.3 . 1 . . . . . 92 LEU CD1 . 17595 1 1113 . 1 1 92 92 LEU CD2 C 13 21.482 0.3 . 1 . . . . . 92 LEU CD2 . 17595 1 1114 . 1 1 92 92 LEU N N 15 115.162 0.3 . 1 . . . . . 92 LEU N . 17595 1 1115 . 1 1 93 93 LYS H H 1 7.769 0.020 . 1 . . . . . 93 LYS H . 17595 1 1116 . 1 1 93 93 LYS HA H 1 3.748 0.020 . 1 . . . . . 93 LYS HA . 17595 1 1117 . 1 1 93 93 LYS HB2 H 1 2.104 0.020 . 2 . . . . . 93 LYS HB2 . 17595 1 1118 . 1 1 93 93 LYS HB3 H 1 1.797 0.020 . 2 . . . . . 93 LYS HB3 . 17595 1 1119 . 1 1 93 93 LYS HG2 H 1 1.308 0.020 . 1 . . . . . 93 LYS HG2 . 17595 1 1120 . 1 1 93 93 LYS HG3 H 1 1.308 0.020 . 1 . . . . . 93 LYS HG3 . 17595 1 1121 . 1 1 93 93 LYS HE2 H 1 2.919 0.020 . 1 . . . . . 93 LYS HE2 . 17595 1 1122 . 1 1 93 93 LYS HE3 H 1 2.919 0.020 . 1 . . . . . 93 LYS HE3 . 17595 1 1123 . 1 1 93 93 LYS C C 13 176.872 0.3 . 1 . . . . . 93 LYS C . 17595 1 1124 . 1 1 93 93 LYS CA C 13 56.707 0.3 . 1 . . . . . 93 LYS CA . 17595 1 1125 . 1 1 93 93 LYS CB C 13 28.529 0.3 . 1 . . . . . 93 LYS CB . 17595 1 1126 . 1 1 93 93 LYS CG C 13 24.688 0.3 . 1 . . . . . 93 LYS CG . 17595 1 1127 . 1 1 93 93 LYS CE C 13 42.332 0.3 . 1 . . . . . 93 LYS CE . 17595 1 1128 . 1 1 93 93 LYS N N 15 118.438 0.3 . 1 . . . . . 93 LYS N . 17595 1 1129 . 1 1 94 94 GLY H H 1 8.611 0.020 . 1 . . . . . 94 GLY H . 17595 1 1130 . 1 1 94 94 GLY HA2 H 1 4.554 0.020 . 2 . . . . . 94 GLY HA2 . 17595 1 1131 . 1 1 94 94 GLY HA3 H 1 3.232 0.020 . 2 . . . . . 94 GLY HA3 . 17595 1 1132 . 1 1 94 94 GLY C C 13 172.121 0.3 . 1 . . . . . 94 GLY C . 17595 1 1133 . 1 1 94 94 GLY CA C 13 44.071 0.3 . 1 . . . . . 94 GLY CA . 17595 1 1134 . 1 1 94 94 GLY N N 15 104.932 0.3 . 1 . . . . . 94 GLY N . 17595 1 1135 . 1 1 95 95 GLU H H 1 8.204 0.020 . 1 . . . . . 95 GLU H . 17595 1 1136 . 1 1 95 95 GLU HA H 1 4.864 0.020 . 1 . . . . . 95 GLU HA . 17595 1 1137 . 1 1 95 95 GLU HB2 H 1 1.827 0.020 . 2 . . . . . 95 GLU HB2 . 17595 1 1138 . 1 1 95 95 GLU HB3 H 1 1.774 0.020 . 2 . . . . . 95 GLU HB3 . 17595 1 1139 . 1 1 95 95 GLU HG2 H 1 1.950 0.020 . 1 . . . . . 95 GLU HG2 . 17595 1 1140 . 1 1 95 95 GLU HG3 H 1 1.950 0.020 . 1 . . . . . 95 GLU HG3 . 17595 1 1141 . 1 1 95 95 GLU C C 13 176.897 0.3 . 1 . . . . . 95 GLU C . 17595 1 1142 . 1 1 95 95 GLU CA C 13 54.038 0.3 . 1 . . . . . 95 GLU CA . 17595 1 1143 . 1 1 95 95 GLU CB C 13 32.547 0.3 . 1 . . . . . 95 GLU CB . 17595 1 1144 . 1 1 95 95 GLU CG C 13 36.379 0.3 . 1 . . . . . 95 GLU CG . 17595 1 1145 . 1 1 95 95 GLU N N 15 119.896 0.3 . 1 . . . . . 95 GLU N . 17595 1 1146 . 1 1 96 96 ILE H H 1 8.321 0.020 . 1 . . . . . 96 ILE H . 17595 1 1147 . 1 1 96 96 ILE HA H 1 4.892 0.020 . 1 . . . . . 96 ILE HA . 17595 1 1148 . 1 1 96 96 ILE HB H 1 1.523 0.020 . 1 . . . . . 96 ILE HB . 17595 1 1149 . 1 1 96 96 ILE HG12 H 1 1.189 0.020 . 2 . . . . . 96 ILE HG12 . 17595 1 1150 . 1 1 96 96 ILE HG13 H 1 0.807 0.020 . 2 . . . . . 96 ILE HG13 . 17595 1 1151 . 1 1 96 96 ILE HG21 H 1 0.773 0.020 . 1 . . . . . 96 ILE HG2 . 17595 1 1152 . 1 1 96 96 ILE HG22 H 1 0.773 0.020 . 1 . . . . . 96 ILE HG2 . 17595 1 1153 . 1 1 96 96 ILE HG23 H 1 0.773 0.020 . 1 . . . . . 96 ILE HG2 . 17595 1 1154 . 1 1 96 96 ILE HD11 H 1 0.816 0.020 . 1 . . . . . 96 ILE HD1 . 17595 1 1155 . 1 1 96 96 ILE HD12 H 1 0.816 0.020 . 1 . . . . . 96 ILE HD1 . 17595 1 1156 . 1 1 96 96 ILE HD13 H 1 0.816 0.020 . 1 . . . . . 96 ILE HD1 . 17595 1 1157 . 1 1 96 96 ILE C C 13 173.475 0.3 . 1 . . . . . 96 ILE C . 17595 1 1158 . 1 1 96 96 ILE CA C 13 59.773 0.3 . 1 . . . . . 96 ILE CA . 17595 1 1159 . 1 1 96 96 ILE CB C 13 41.720 0.3 . 1 . . . . . 96 ILE CB . 17595 1 1160 . 1 1 96 96 ILE CG1 C 13 29.027 0.3 . 1 . . . . . 96 ILE CG1 . 17595 1 1161 . 1 1 96 96 ILE CG2 C 13 17.714 0.3 . 1 . . . . . 96 ILE CG2 . 17595 1 1162 . 1 1 96 96 ILE CD1 C 13 15.827 0.3 . 1 . . . . . 96 ILE CD1 . 17595 1 1163 . 1 1 96 96 ILE N N 15 122.806 0.3 . 1 . . . . . 96 ILE N . 17595 1 1164 . 1 1 97 97 PHE H H 1 9.104 0.020 . 1 . . . . . 97 PHE H . 17595 1 1165 . 1 1 97 97 PHE HA H 1 5.358 0.020 . 1 . . . . . 97 PHE HA . 17595 1 1166 . 1 1 97 97 PHE HB2 H 1 3.417 0.020 . 2 . . . . . 97 PHE HB2 . 17595 1 1167 . 1 1 97 97 PHE HB3 H 1 2.605 0.020 . 2 . . . . . 97 PHE HB3 . 17595 1 1168 . 1 1 97 97 PHE HD1 H 1 6.978 0.020 . 1 . . . . . 97 PHE HD1 . 17595 1 1169 . 1 1 97 97 PHE HD2 H 1 6.978 0.020 . 1 . . . . . 97 PHE HD2 . 17595 1 1170 . 1 1 97 97 PHE HE1 H 1 6.941 0.020 . 1 . . . . . 97 PHE HE1 . 17595 1 1171 . 1 1 97 97 PHE HE2 H 1 6.941 0.020 . 1 . . . . . 97 PHE HE2 . 17595 1 1172 . 1 1 97 97 PHE HZ H 1 7.114 0.020 . 1 . . . . . 97 PHE HZ . 17595 1 1173 . 1 1 97 97 PHE C C 13 173.420 0.3 . 1 . . . . . 97 PHE C . 17595 1 1174 . 1 1 97 97 PHE CA C 13 53.955 0.3 . 1 . . . . . 97 PHE CA . 17595 1 1175 . 1 1 97 97 PHE CB C 13 40.077 0.3 . 1 . . . . . 97 PHE CB . 17595 1 1176 . 1 1 97 97 PHE CD1 C 13 130.039 0.3 . 1 . . . . . 97 PHE CD1 . 17595 1 1177 . 1 1 97 97 PHE CE1 C 13 129.747 0.3 . 1 . . . . . 97 PHE CE1 . 17595 1 1178 . 1 1 97 97 PHE CZ C 13 129.037 0.3 . 1 . . . . . 97 PHE CZ . 17595 1 1179 . 1 1 97 97 PHE N N 15 130.540 0.3 . 1 . . . . . 97 PHE N . 17595 1 1180 . 1 1 98 98 SER H H 1 7.925 0.020 . 1 . . . . . 98 SER H . 17595 1 1181 . 1 1 98 98 SER HA H 1 4.481 0.020 . 1 . . . . . 98 SER HA . 17595 1 1182 . 1 1 98 98 SER HB2 H 1 3.825 0.020 . 1 . . . . . 98 SER HB2 . 17595 1 1183 . 1 1 98 98 SER HB3 H 1 3.079 0.020 . 1 . . . . . 98 SER HB3 . 17595 1 1184 . 1 1 98 98 SER C C 13 173.708 0.3 . 1 . . . . . 98 SER C . 17595 1 1185 . 1 1 98 98 SER CA C 13 58.036 0.3 . 1 . . . . . 98 SER CA . 17595 1 1186 . 1 1 98 98 SER CB C 13 65.697 0.3 . 1 . . . . . 98 SER CB . 17595 1 1187 . 1 1 98 98 SER N N 15 114.132 0.3 . 1 . . . . . 98 SER N . 17595 1 1188 . 1 1 99 99 ASP H H 1 8.369 0.020 . 1 . . . . . 99 ASP H . 17595 1 1189 . 1 1 99 99 ASP HA H 1 4.843 0.020 . 1 . . . . . 99 ASP HA . 17595 1 1190 . 1 1 99 99 ASP HB2 H 1 2.734 0.020 . 1 . . . . . 99 ASP HB2 . 17595 1 1191 . 1 1 99 99 ASP HB3 H 1 2.734 0.020 . 2 . . . . . 99 ASP HB3 . 17595 1 1192 . 1 1 99 99 ASP C C 13 175.490 0.3 . 1 . . . . . 99 ASP C . 17595 1 1193 . 1 1 99 99 ASP CA C 13 53.337 0.3 . 1 . . . . . 99 ASP CA . 17595 1 1194 . 1 1 99 99 ASP CB C 13 42.095 0.3 . 1 . . . . . 99 ASP CB . 17595 1 1195 . 1 1 99 99 ASP N N 15 126.303 0.3 . 1 . . . . . 99 ASP N . 17595 1 1196 . 1 1 100 100 ASP H H 1 8.753 0.020 . 1 . . . . . 100 ASP H . 17595 1 1197 . 1 1 100 100 ASP HA H 1 4.523 0.020 . 1 . . . . . 100 ASP HA . 17595 1 1198 . 1 1 100 100 ASP HB2 H 1 2.755 0.020 . 1 . . . . . 100 ASP HB2 . 17595 1 1199 . 1 1 100 100 ASP HB3 H 1 2.755 0.020 . 2 . . . . . 100 ASP HB3 . 17595 1 1200 . 1 1 100 100 ASP C C 13 176.058 0.3 . 1 . . . . . 100 ASP C . 17595 1 1201 . 1 1 100 100 ASP CA C 13 54.296 0.3 . 1 . . . . . 100 ASP CA . 17595 1 1202 . 1 1 100 100 ASP CB C 13 43.231 0.3 . 1 . . . . . 100 ASP CB . 17595 1 1203 . 1 1 100 100 ASP N N 15 122.952 0.3 . 1 . . . . . 100 ASP N . 17595 1 1204 . 1 1 101 101 TYR H H 1 8.489 0.020 . 1 . . . . . 101 TYR H . 17595 1 1205 . 1 1 101 101 TYR HA H 1 3.918 0.020 . 1 . . . . . 101 TYR HA . 17595 1 1206 . 1 1 101 101 TYR HB2 H 1 3.046 0.020 . 2 . . . . . 101 TYR HB2 . 17595 1 1207 . 1 1 101 101 TYR HB3 H 1 2.870 0.020 . 2 . . . . . 101 TYR HB3 . 17595 1 1208 . 1 1 101 101 TYR HD1 H 1 7.051 0.020 . 1 . . . . . 101 TYR HD1 . 17595 1 1209 . 1 1 101 101 TYR HD2 H 1 7.051 0.020 . 1 . . . . . 101 TYR HD2 . 17595 1 1210 . 1 1 101 101 TYR HE1 H 1 6.825 0.020 . 1 . . . . . 101 TYR HE1 . 17595 1 1211 . 1 1 101 101 TYR HE2 H 1 6.825 0.020 . 1 . . . . . 101 TYR HE2 . 17595 1 1212 . 1 1 101 101 TYR C C 13 177.013 0.3 . 1 . . . . . 101 TYR C . 17595 1 1213 . 1 1 101 101 TYR CA C 13 60.760 0.3 . 1 . . . . . 101 TYR CA . 17595 1 1214 . 1 1 101 101 TYR CB C 13 38.486 0.3 . 1 . . . . . 101 TYR CB . 17595 1 1215 . 1 1 101 101 TYR CD1 C 13 133.084 0.3 . 1 . . . . . 101 TYR CD1 . 17595 1 1216 . 1 1 101 101 TYR CE1 C 13 117.962 0.3 . 1 . . . . . 101 TYR CE1 . 17595 1 1217 . 1 1 101 101 TYR N N 15 126.865 0.3 . 1 . . . . . 101 TYR N . 17595 1 1218 . 1 1 102 102 ASN H H 1 8.178 0.020 . 1 . . . . . 102 ASN H . 17595 1 1219 . 1 1 102 102 ASN HA H 1 4.334 0.020 . 1 . . . . . 102 ASN HA . 17595 1 1220 . 1 1 102 102 ASN HB2 H 1 2.968 0.020 . 2 . . . . . 102 ASN HB2 . 17595 1 1221 . 1 1 102 102 ASN HB3 H 1 2.416 0.020 . 2 . . . . . 102 ASN HB3 . 17595 1 1222 . 1 1 102 102 ASN HD21 H 1 8.331 0.020 . 1 . . . . . 102 ASN HD21 . 17595 1 1223 . 1 1 102 102 ASN HD22 H 1 7.109 0.020 . 1 . . . . . 102 ASN HD22 . 17595 1 1224 . 1 1 102 102 ASN C C 13 177.809 0.3 . 1 . . . . . 102 ASN C . 17595 1 1225 . 1 1 102 102 ASN CA C 13 56.444 0.3 . 1 . . . . . 102 ASN CA . 17595 1 1226 . 1 1 102 102 ASN CB C 13 37.936 0.3 . 1 . . . . . 102 ASN CB . 17595 1 1227 . 1 1 102 102 ASN N N 15 117.785 0.3 . 1 . . . . . 102 ASN N . 17595 1 1228 . 1 1 102 102 ASN ND2 N 15 114.687 0.3 . 1 . . . . . 102 ASN ND2 . 17595 1 1229 . 1 1 103 103 VAL H H 1 8.138 0.020 . 1 . . . . . 103 VAL H . 17595 1 1230 . 1 1 103 103 VAL HA H 1 3.424 0.020 . 1 . . . . . 103 VAL HA . 17595 1 1231 . 1 1 103 103 VAL HB H 1 2.235 0.020 . 1 . . . . . 103 VAL HB . 17595 1 1232 . 1 1 103 103 VAL HG11 H 1 0.955 0.020 . 1 . . . . . 103 VAL HG1 . 17595 1 1233 . 1 1 103 103 VAL HG12 H 1 0.955 0.020 . 1 . . . . . 103 VAL HG1 . 17595 1 1234 . 1 1 103 103 VAL HG13 H 1 0.955 0.020 . 1 . . . . . 103 VAL HG1 . 17595 1 1235 . 1 1 103 103 VAL HG21 H 1 0.860 0.020 . 1 . . . . . 103 VAL HG2 . 17595 1 1236 . 1 1 103 103 VAL HG22 H 1 0.860 0.020 . 1 . . . . . 103 VAL HG2 . 17595 1 1237 . 1 1 103 103 VAL HG23 H 1 0.860 0.020 . 1 . . . . . 103 VAL HG2 . 17595 1 1238 . 1 1 103 103 VAL C C 13 177.454 0.3 . 1 . . . . . 103 VAL C . 17595 1 1239 . 1 1 103 103 VAL CA C 13 66.513 0.3 . 1 . . . . . 103 VAL CA . 17595 1 1240 . 1 1 103 103 VAL CB C 13 31.485 0.3 . 1 . . . . . 103 VAL CB . 17595 1 1241 . 1 1 103 103 VAL CG1 C 13 22.311 0.3 . 1 . . . . . 103 VAL CG1 . 17595 1 1242 . 1 1 103 103 VAL CG2 C 13 21.342 0.3 . 1 . . . . . 103 VAL CG2 . 17595 1 1243 . 1 1 103 103 VAL N N 15 121.355 0.3 . 1 . . . . . 103 VAL N . 17595 1 1244 . 1 1 104 104 GLN H H 1 7.802 0.020 . 1 . . . . . 104 GLN H . 17595 1 1245 . 1 1 104 104 GLN HA H 1 2.909 0.020 . 1 . . . . . 104 GLN HA . 17595 1 1246 . 1 1 104 104 GLN HB2 H 1 1.461 0.020 . 2 . . . . . 104 GLN HB2 . 17595 1 1247 . 1 1 104 104 GLN HB3 H 1 0.951 0.020 . 2 . . . . . 104 GLN HB3 . 17595 1 1248 . 1 1 104 104 GLN HG2 H 1 1.953 0.020 . 2 . . . . . 104 GLN HG2 . 17595 1 1249 . 1 1 104 104 GLN HG3 H 1 1.158 0.020 . 2 . . . . . 104 GLN HG3 . 17595 1 1250 . 1 1 104 104 GLN HE21 H 1 7.295 0.020 . 1 . . . . . 104 GLN HE21 . 17595 1 1251 . 1 1 104 104 GLN HE22 H 1 6.555 0.020 . 1 . . . . . 104 GLN HE22 . 17595 1 1252 . 1 1 104 104 GLN C C 13 177.755 0.3 . 1 . . . . . 104 GLN C . 17595 1 1253 . 1 1 104 104 GLN CA C 13 58.961 0.3 . 1 . . . . . 104 GLN CA . 17595 1 1254 . 1 1 104 104 GLN CB C 13 27.154 0.3 . 1 . . . . . 104 GLN CB . 17595 1 1255 . 1 1 104 104 GLN CG C 13 32.533 0.3 . 1 . . . . . 104 GLN CG . 17595 1 1256 . 1 1 104 104 GLN N N 15 117.281 0.3 . 1 . . . . . 104 GLN N . 17595 1 1257 . 1 1 104 104 GLN NE2 N 15 108.243 0.3 . 1 . . . . . 104 GLN NE2 . 17595 1 1258 . 1 1 105 105 ASN H H 1 7.967 0.020 . 1 . . . . . 105 ASN H . 17595 1 1259 . 1 1 105 105 ASN HA H 1 4.260 0.020 . 1 . . . . . 105 ASN HA . 17595 1 1260 . 1 1 105 105 ASN HB2 H 1 2.750 0.020 . 2 . . . . . 105 ASN HB2 . 17595 1 1261 . 1 1 105 105 ASN HB3 H 1 2.642 0.020 . 2 . . . . . 105 ASN HB3 . 17595 1 1262 . 1 1 105 105 ASN HD21 H 1 7.834 0.020 . 1 . . . . . 105 ASN HD21 . 17595 1 1263 . 1 1 105 105 ASN HD22 H 1 6.514 0.020 . 1 . . . . . 105 ASN HD22 . 17595 1 1264 . 1 1 105 105 ASN C C 13 177.765 0.3 . 1 . . . . . 105 ASN C . 17595 1 1265 . 1 1 105 105 ASN CA C 13 56.523 0.3 . 1 . . . . . 105 ASN CA . 17595 1 1266 . 1 1 105 105 ASN CB C 13 38.732 0.3 . 1 . . . . . 105 ASN CB . 17595 1 1267 . 1 1 105 105 ASN N N 15 116.878 0.3 . 1 . . . . . 105 ASN N . 17595 1 1268 . 1 1 105 105 ASN ND2 N 15 112.652 0.3 . 1 . . . . . 105 ASN ND2 . 17595 1 1269 . 1 1 106 106 ILE H H 1 7.771 0.020 . 1 . . . . . 106 ILE H . 17595 1 1270 . 1 1 106 106 ILE HA H 1 3.683 0.020 . 1 . . . . . 106 ILE HA . 17595 1 1271 . 1 1 106 106 ILE HB H 1 1.925 0.020 . 1 . . . . . 106 ILE HB . 17595 1 1272 . 1 1 106 106 ILE HG12 H 1 1.570 0.020 . 2 . . . . . 106 ILE HG12 . 17595 1 1273 . 1 1 106 106 ILE HG13 H 1 1.400 0.020 . 2 . . . . . 106 ILE HG13 . 17595 1 1274 . 1 1 106 106 ILE HG21 H 1 0.855 0.020 . 1 . . . . . 106 ILE HG2 . 17595 1 1275 . 1 1 106 106 ILE HG22 H 1 0.855 0.020 . 1 . . . . . 106 ILE HG2 . 17595 1 1276 . 1 1 106 106 ILE HG23 H 1 0.855 0.020 . 1 . . . . . 106 ILE HG2 . 17595 1 1277 . 1 1 106 106 ILE HD11 H 1 0.652 0.020 . 1 . . . . . 106 ILE HD1 . 17595 1 1278 . 1 1 106 106 ILE HD12 H 1 0.652 0.020 . 1 . . . . . 106 ILE HD1 . 17595 1 1279 . 1 1 106 106 ILE HD13 H 1 0.652 0.020 . 1 . . . . . 106 ILE HD1 . 17595 1 1280 . 1 1 106 106 ILE C C 13 177.349 0.3 . 1 . . . . . 106 ILE C . 17595 1 1281 . 1 1 106 106 ILE CA C 13 63.558 0.3 . 1 . . . . . 106 ILE CA . 17595 1 1282 . 1 1 106 106 ILE CB C 13 35.532 0.3 . 1 . . . . . 106 ILE CB . 17595 1 1283 . 1 1 106 106 ILE CG1 C 13 28.496 0.3 . 1 . . . . . 106 ILE CG1 . 17595 1 1284 . 1 1 106 106 ILE CG2 C 13 18.696 0.3 . 1 . . . . . 106 ILE CG2 . 17595 1 1285 . 1 1 106 106 ILE CD1 C 13 11.505 0.3 . 1 . . . . . 106 ILE CD1 . 17595 1 1286 . 1 1 106 106 ILE N N 15 118.502 0.3 . 1 . . . . . 106 ILE N . 17595 1 1287 . 1 1 107 107 ALA H H 1 8.507 0.020 . 1 . . . . . 107 ALA H . 17595 1 1288 . 1 1 107 107 ALA HA H 1 3.824 0.020 . 1 . . . . . 107 ALA HA . 17595 1 1289 . 1 1 107 107 ALA HB1 H 1 1.448 0.020 . 1 . . . . . 107 ALA HB . 17595 1 1290 . 1 1 107 107 ALA HB2 H 1 1.448 0.020 . 1 . . . . . 107 ALA HB . 17595 1 1291 . 1 1 107 107 ALA HB3 H 1 1.448 0.020 . 1 . . . . . 107 ALA HB . 17595 1 1292 . 1 1 107 107 ALA C C 13 179.509 0.3 . 1 . . . . . 107 ALA C . 17595 1 1293 . 1 1 107 107 ALA CA C 13 56.202 0.3 . 1 . . . . . 107 ALA CA . 17595 1 1294 . 1 1 107 107 ALA CB C 13 17.457 0.3 . 1 . . . . . 107 ALA CB . 17595 1 1295 . 1 1 107 107 ALA N N 15 121.756 0.3 . 1 . . . . . 107 ALA N . 17595 1 1296 . 1 1 108 108 SER H H 1 8.189 0.020 . 1 . . . . . 108 SER H . 17595 1 1297 . 1 1 108 108 SER HA H 1 4.404 0.020 . 1 . . . . . 108 SER HA . 17595 1 1298 . 1 1 108 108 SER HB2 H 1 4.109 0.020 . 1 . . . . . 108 SER HB2 . 17595 1 1299 . 1 1 108 108 SER HB3 H 1 4.109 0.020 . 1 . . . . . 108 SER HB3 . 17595 1 1300 . 1 1 108 108 SER C C 13 178.192 0.3 . 1 . . . . . 108 SER C . 17595 1 1301 . 1 1 108 108 SER CA C 13 61.746 0.3 . 1 . . . . . 108 SER CA . 17595 1 1302 . 1 1 108 108 SER CB C 13 62.859 0.3 . 1 . . . . . 108 SER CB . 17595 1 1303 . 1 1 108 108 SER N N 15 112.032 0.3 . 1 . . . . . 108 SER N . 17595 1 1304 . 1 1 109 109 LEU H H 1 7.764 0.020 . 1 . . . . . 109 LEU H . 17595 1 1305 . 1 1 109 109 LEU HA H 1 4.143 0.020 . 1 . . . . . 109 LEU HA . 17595 1 1306 . 1 1 109 109 LEU HB2 H 1 1.915 0.020 . 2 . . . . . 109 LEU HB2 . 17595 1 1307 . 1 1 109 109 LEU HB3 H 1 1.591 0.020 . 2 . . . . . 109 LEU HB3 . 17595 1 1308 . 1 1 109 109 LEU HG H 1 1.780 0.020 . 1 . . . . . 109 LEU HG . 17595 1 1309 . 1 1 109 109 LEU HD11 H 1 1.272 0.020 . 1 . . . . . 109 LEU HD1 . 17595 1 1310 . 1 1 109 109 LEU HD12 H 1 1.272 0.020 . 1 . . . . . 109 LEU HD1 . 17595 1 1311 . 1 1 109 109 LEU HD13 H 1 1.272 0.020 . 1 . . . . . 109 LEU HD1 . 17595 1 1312 . 1 1 109 109 LEU HD21 H 1 0.852 0.020 . 1 . . . . . 109 LEU HD2 . 17595 1 1313 . 1 1 109 109 LEU HD22 H 1 0.852 0.020 . 1 . . . . . 109 LEU HD2 . 17595 1 1314 . 1 1 109 109 LEU HD23 H 1 0.852 0.020 . 1 . . . . . 109 LEU HD2 . 17595 1 1315 . 1 1 109 109 LEU C C 13 179.088 0.3 . 1 . . . . . 109 LEU C . 17595 1 1316 . 1 1 109 109 LEU CA C 13 57.863 0.3 . 1 . . . . . 109 LEU CA . 17595 1 1317 . 1 1 109 109 LEU CB C 13 41.999 0.3 . 1 . . . . . 109 LEU CB . 17595 1 1318 . 1 1 109 109 LEU CG C 13 26.699 0.3 . 1 . . . . . 109 LEU CG . 17595 1 1319 . 1 1 109 109 LEU CD1 C 13 24.712 0.3 . 1 . . . . . 109 LEU CD1 . 17595 1 1320 . 1 1 109 109 LEU CD2 C 13 23.602 0.3 . 1 . . . . . 109 LEU CD2 . 17595 1 1321 . 1 1 109 109 LEU N N 15 123.998 0.3 . 1 . . . . . 109 LEU N . 17595 1 1322 . 1 1 110 110 LEU H H 1 7.807 0.020 . 1 . . . . . 110 LEU H . 17595 1 1323 . 1 1 110 110 LEU HA H 1 4.352 0.020 . 1 . . . . . 110 LEU HA . 17595 1 1324 . 1 1 110 110 LEU HB2 H 1 1.915 0.020 . 2 . . . . . 110 LEU HB2 . 17595 1 1325 . 1 1 110 110 LEU HB3 H 1 1.762 0.020 . 2 . . . . . 110 LEU HB3 . 17595 1 1326 . 1 1 110 110 LEU HG H 1 0.705 0.020 . 1 . . . . . 110 LEU HG . 17595 1 1327 . 1 1 110 110 LEU HD11 H 1 0.746 0.020 . 1 . . . . . 110 LEU HD1 . 17595 1 1328 . 1 1 110 110 LEU HD12 H 1 0.746 0.020 . 1 . . . . . 110 LEU HD1 . 17595 1 1329 . 1 1 110 110 LEU HD13 H 1 0.746 0.020 . 1 . . . . . 110 LEU HD1 . 17595 1 1330 . 1 1 110 110 LEU HD21 H 1 0.668 0.020 . 1 . . . . . 110 LEU HD2 . 17595 1 1331 . 1 1 110 110 LEU HD22 H 1 0.668 0.020 . 1 . . . . . 110 LEU HD2 . 17595 1 1332 . 1 1 110 110 LEU HD23 H 1 0.668 0.020 . 1 . . . . . 110 LEU HD2 . 17595 1 1333 . 1 1 110 110 LEU C C 13 176.822 0.3 . 1 . . . . . 110 LEU C . 17595 1 1334 . 1 1 110 110 LEU CA C 13 54.948 0.3 . 1 . . . . . 110 LEU CA . 17595 1 1335 . 1 1 110 110 LEU CB C 13 43.615 0.3 . 1 . . . . . 110 LEU CB . 17595 1 1336 . 1 1 110 110 LEU CG C 13 27.192 0.3 . 1 . . . . . 110 LEU CG . 17595 1 1337 . 1 1 110 110 LEU CD1 C 13 22.388 0.3 . 1 . . . . . 110 LEU CD1 . 17595 1 1338 . 1 1 110 110 LEU CD2 C 13 23.676 0.3 . 1 . . . . . 110 LEU CD2 . 17595 1 1339 . 1 1 110 110 LEU N N 15 117.407 0.3 . 1 . . . . . 110 LEU N . 17595 1 1340 . 1 1 111 111 GLY H H 1 7.943 0.020 . 1 . . . . . 111 GLY H . 17595 1 1341 . 1 1 111 111 GLY HA2 H 1 4.142 0.020 . 2 . . . . . 111 GLY HA2 . 17595 1 1342 . 1 1 111 111 GLY HA3 H 1 3.869 0.020 . 2 . . . . . 111 GLY HA3 . 17595 1 1343 . 1 1 111 111 GLY C C 13 174.657 0.3 . 1 . . . . . 111 GLY C . 17595 1 1344 . 1 1 111 111 GLY CA C 13 45.942 0.3 . 1 . . . . . 111 GLY CA . 17595 1 1345 . 1 1 111 111 GLY N N 15 108.110 0.3 . 1 . . . . . 111 GLY N . 17595 1 1346 . 1 1 112 112 LEU H H 1 8.320 0.020 . 1 . . . . . 112 LEU H . 17595 1 1347 . 1 1 112 112 LEU HA H 1 4.600 0.020 . 1 . . . . . 112 LEU HA . 17595 1 1348 . 1 1 112 112 LEU HB2 H 1 1.693 0.020 . 2 . . . . . 112 LEU HB2 . 17595 1 1349 . 1 1 112 112 LEU HB3 H 1 1.541 0.020 . 2 . . . . . 112 LEU HB3 . 17595 1 1350 . 1 1 112 112 LEU HG H 1 0.933 0.020 . 1 . . . . . 112 LEU HG . 17595 1 1351 . 1 1 112 112 LEU HD11 H 1 0.938 0.020 . 1 . . . . . 112 LEU HD1 . 17595 1 1352 . 1 1 112 112 LEU HD12 H 1 0.938 0.020 . 1 . . . . . 112 LEU HD1 . 17595 1 1353 . 1 1 112 112 LEU HD13 H 1 0.938 0.020 . 1 . . . . . 112 LEU HD1 . 17595 1 1354 . 1 1 112 112 LEU HD21 H 1 0.665 0.020 . 1 . . . . . 112 LEU HD2 . 17595 1 1355 . 1 1 112 112 LEU HD22 H 1 0.665 0.020 . 1 . . . . . 112 LEU HD2 . 17595 1 1356 . 1 1 112 112 LEU HD23 H 1 0.665 0.020 . 1 . . . . . 112 LEU HD2 . 17595 1 1357 . 1 1 112 112 LEU C C 13 176.147 0.3 . 1 . . . . . 112 LEU C . 17595 1 1358 . 1 1 112 112 LEU CA C 13 53.099 0.3 . 1 . . . . . 112 LEU CA . 17595 1 1359 . 1 1 112 112 LEU CB C 13 42.546 0.3 . 1 . . . . . 112 LEU CB . 17595 1 1360 . 1 1 112 112 LEU CG C 13 26.248 0.3 . 1 . . . . . 112 LEU CG . 17595 1 1361 . 1 1 112 112 LEU CD1 C 13 22.314 0.3 . 1 . . . . . 112 LEU CD1 . 17595 1 1362 . 1 1 112 112 LEU CD2 C 13 23.745 0.3 . 1 . . . . . 112 LEU CD2 . 17595 1 1363 . 1 1 112 112 LEU N N 15 120.494 0.3 . 1 . . . . . 112 LEU N . 17595 1 1364 . 1 1 113 113 ARG H H 1 8.615 0.020 . 1 . . . . . 113 ARG H . 17595 1 1365 . 1 1 113 113 ARG HA H 1 4.258 0.020 . 1 . . . . . 113 ARG HA . 17595 1 1366 . 1 1 113 113 ARG HB2 H 1 1.677 0.020 . 1 . . . . . 113 ARG HB2 . 17595 1 1367 . 1 1 113 113 ARG HB3 H 1 1.677 0.020 . 1 . . . . . 113 ARG HB3 . 17595 1 1368 . 1 1 113 113 ARG HG2 H 1 1.698 0.020 . 2 . . . . . 113 ARG HG2 . 17595 1 1369 . 1 1 113 113 ARG HG3 H 1 1.554 0.020 . 2 . . . . . 113 ARG HG3 . 17595 1 1370 . 1 1 113 113 ARG HD2 H 1 3.141 0.020 . 1 . . . . . 113 ARG HD2 . 17595 1 1371 . 1 1 113 113 ARG HD3 H 1 3.141 0.020 . 1 . . . . . 113 ARG HD3 . 17595 1 1372 . 1 1 113 113 ARG C C 13 174.712 0.3 . 1 . . . . . 113 ARG C . 17595 1 1373 . 1 1 113 113 ARG CA C 13 55.650 0.3 . 1 . . . . . 113 ARG CA . 17595 1 1374 . 1 1 113 113 ARG CB C 13 31.326 0.3 . 1 . . . . . 113 ARG CB . 17595 1 1375 . 1 1 113 113 ARG CG C 13 27.483 0.3 . 1 . . . . . 113 ARG CG . 17595 1 1376 . 1 1 113 113 ARG CD C 13 43.104 0.3 . 1 . . . . . 113 ARG CD . 17595 1 1377 . 1 1 113 113 ARG N N 15 121.878 0.3 . 1 . . . . . 113 ARG N . 17595 1 1378 . 1 1 114 114 PHE H H 1 7.721 0.020 . 1 . . . . . 114 PHE H . 17595 1 1379 . 1 1 114 114 PHE HA H 1 5.765 0.020 . 1 . . . . . 114 PHE HA . 17595 1 1380 . 1 1 114 114 PHE HB2 H 1 3.020 0.020 . 2 . . . . . 114 PHE HB2 . 17595 1 1381 . 1 1 114 114 PHE HB3 H 1 2.721 0.020 . 2 . . . . . 114 PHE HB3 . 17595 1 1382 . 1 1 114 114 PHE HD1 H 1 6.946 0.020 . 1 . . . . . 114 PHE HD1 . 17595 1 1383 . 1 1 114 114 PHE HD2 H 1 6.946 0.020 . 1 . . . . . 114 PHE HD2 . 17595 1 1384 . 1 1 114 114 PHE HE1 H 1 7.212 0.020 . 1 . . . . . 114 PHE HE1 . 17595 1 1385 . 1 1 114 114 PHE HE2 H 1 7.212 0.020 . 1 . . . . . 114 PHE HE2 . 17595 1 1386 . 1 1 114 114 PHE HZ H 1 7.213 0.020 . 1 . . . . . 114 PHE HZ . 17595 1 1387 . 1 1 114 114 PHE C C 13 173.527 0.3 . 1 . . . . . 114 PHE C . 17595 1 1388 . 1 1 114 114 PHE CA C 13 54.997 0.3 . 1 . . . . . 114 PHE CA . 17595 1 1389 . 1 1 114 114 PHE CB C 13 42.561 0.3 . 1 . . . . . 114 PHE CB . 17595 1 1390 . 1 1 114 114 PHE CD1 C 13 131.877 0.3 . 1 . . . . . 114 PHE CD1 . 17595 1 1391 . 1 1 114 114 PHE CE1 C 13 131.384 0.3 . 1 . . . . . 114 PHE CE1 . 17595 1 1392 . 1 1 114 114 PHE CZ C 13 130.163 0.3 . 1 . . . . . 114 PHE CZ . 17595 1 1393 . 1 1 114 114 PHE N N 15 117.113 0.3 . 1 . . . . . 114 PHE N . 17595 1 1394 . 1 1 115 115 ARG H H 1 9.256 0.020 . 1 . . . . . 115 ARG H . 17595 1 1395 . 1 1 115 115 ARG HA H 1 4.519 0.020 . 1 . . . . . 115 ARG HA . 17595 1 1396 . 1 1 115 115 ARG HB2 H 1 1.403 0.020 . 2 . . . . . 115 ARG HB2 . 17595 1 1397 . 1 1 115 115 ARG HB3 H 1 1.298 0.020 . 2 . . . . . 115 ARG HB3 . 17595 1 1398 . 1 1 115 115 ARG HG2 H 1 0.929 0.020 . 1 . . . . . 115 ARG HG2 . 17595 1 1399 . 1 1 115 115 ARG HG3 H 1 0.929 0.020 . 1 . . . . . 115 ARG HG3 . 17595 1 1400 . 1 1 115 115 ARG HD2 H 1 2.645 0.020 . 2 . . . . . 115 ARG HD2 . 17595 1 1401 . 1 1 115 115 ARG HD3 H 1 2.507 0.020 . 2 . . . . . 115 ARG HD3 . 17595 1 1402 . 1 1 115 115 ARG C C 13 173.291 0.3 . 1 . . . . . 115 ARG C . 17595 1 1403 . 1 1 115 115 ARG CA C 13 54.141 0.3 . 1 . . . . . 115 ARG CA . 17595 1 1404 . 1 1 115 115 ARG CB C 13 33.103 0.3 . 1 . . . . . 115 ARG CB . 17595 1 1405 . 1 1 115 115 ARG CG C 13 26.108 0.3 . 1 . . . . . 115 ARG CG . 17595 1 1406 . 1 1 115 115 ARG CD C 13 43.196 0.3 . 1 . . . . . 115 ARG CD . 17595 1 1407 . 1 1 115 115 ARG N N 15 123.939 0.3 . 1 . . . . . 115 ARG N . 17595 1 1408 . 1 1 116 116 THR H H 1 7.893 0.020 . 1 . . . . . 116 THR H . 17595 1 1409 . 1 1 116 116 THR HA H 1 4.619 0.020 . 1 . . . . . 116 THR HA . 17595 1 1410 . 1 1 116 116 THR HB H 1 4.352 0.020 . 1 . . . . . 116 THR HB . 17595 1 1411 . 1 1 116 116 THR HG21 H 1 0.868 0.020 . 1 . . . . . 116 THR HG2 . 17595 1 1412 . 1 1 116 116 THR HG22 H 1 0.868 0.020 . 1 . . . . . 116 THR HG2 . 17595 1 1413 . 1 1 116 116 THR HG23 H 1 0.868 0.020 . 1 . . . . . 116 THR HG2 . 17595 1 1414 . 1 1 116 116 THR C C 13 173.937 0.3 . 1 . . . . . 116 THR C . 17595 1 1415 . 1 1 116 116 THR CA C 13 60.118 0.3 . 1 . . . . . 116 THR CA . 17595 1 1416 . 1 1 116 116 THR CB C 13 70.246 0.3 . 1 . . . . . 116 THR CB . 17595 1 1417 . 1 1 116 116 THR CG2 C 13 20.710 0.3 . 1 . . . . . 116 THR CG2 . 17595 1 1418 . 1 1 116 116 THR N N 15 113.217 0.3 . 1 . . . . . 116 THR N . 17595 1 1419 . 1 1 117 117 LEU H H 1 8.749 0.020 . 1 . . . . . 117 LEU H . 17595 1 1420 . 1 1 117 117 LEU HA H 1 4.406 0.020 . 1 . . . . . 117 LEU HA . 17595 1 1421 . 1 1 117 117 LEU HB2 H 1 1.640 0.020 . 2 . . . . . 117 LEU HB2 . 17595 1 1422 . 1 1 117 117 LEU HB3 H 1 1.596 0.020 . 2 . . . . . 117 LEU HB3 . 17595 1 1423 . 1 1 117 117 LEU HG H 1 0.953 0.020 . 1 . . . . . 117 LEU HG . 17595 1 1424 . 1 1 117 117 LEU HD11 H 1 0.732 0.020 . 1 . . . . . 117 LEU HD1 . 17595 1 1425 . 1 1 117 117 LEU HD12 H 1 0.732 0.020 . 1 . . . . . 117 LEU HD1 . 17595 1 1426 . 1 1 117 117 LEU HD13 H 1 0.732 0.020 . 1 . . . . . 117 LEU HD1 . 17595 1 1427 . 1 1 117 117 LEU HD21 H 1 0.668 0.020 . 1 . . . . . 117 LEU HD2 . 17595 1 1428 . 1 1 117 117 LEU HD22 H 1 0.668 0.020 . 1 . . . . . 117 LEU HD2 . 17595 1 1429 . 1 1 117 117 LEU HD23 H 1 0.668 0.020 . 1 . . . . . 117 LEU HD2 . 17595 1 1430 . 1 1 117 117 LEU C C 13 177.073 0.3 . 1 . . . . . 117 LEU C . 17595 1 1431 . 1 1 117 117 LEU CA C 13 55.383 0.3 . 1 . . . . . 117 LEU CA . 17595 1 1432 . 1 1 117 117 LEU CB C 13 42.489 0.3 . 1 . . . . . 117 LEU CB . 17595 1 1433 . 1 1 117 117 LEU CG C 13 27.215 0.3 . 1 . . . . . 117 LEU CG . 17595 1 1434 . 1 1 117 117 LEU CD1 C 13 24.346 0.3 . 1 . . . . . 117 LEU CD1 . 17595 1 1435 . 1 1 117 117 LEU CD2 C 13 23.602 0.3 . 1 . . . . . 117 LEU CD2 . 17595 1 1436 . 1 1 117 117 LEU N N 15 125.186 0.3 . 1 . . . . . 117 LEU N . 17595 1 1437 . 1 1 118 118 LYS H H 1 8.520 0.020 . 1 . . . . . 118 LYS H . 17595 1 1438 . 1 1 118 118 LYS HA H 1 4.283 0.020 . 1 . . . . . 118 LYS HA . 17595 1 1439 . 1 1 118 118 LYS HB2 H 1 1.807 0.020 . 1 . . . . . 118 LYS HB2 . 17595 1 1440 . 1 1 118 118 LYS HB3 H 1 1.807 0.020 . 1 . . . . . 118 LYS HB3 . 17595 1 1441 . 1 1 118 118 LYS C C 13 176.168 0.3 . 1 . . . . . 118 LYS C . 17595 1 1442 . 1 1 118 118 LYS CA C 13 56.307 0.3 . 1 . . . . . 118 LYS CA . 17595 1 1443 . 1 1 118 118 LYS CB C 13 32.700 0.3 . 1 . . . . . 118 LYS CB . 17595 1 1444 . 1 1 118 118 LYS N N 15 122.291 0.3 . 1 . . . . . 118 LYS N . 17595 1 1445 . 1 1 119 119 ARG H H 1 8.256 0.020 . 1 . . . . . 119 ARG H . 17595 1 1446 . 1 1 119 119 ARG HA H 1 4.356 0.020 . 1 . . . . . 119 ARG HA . 17595 1 1447 . 1 1 119 119 ARG HB2 H 1 1.820 0.020 . 1 . . . . . 119 ARG HB2 . 17595 1 1448 . 1 1 119 119 ARG HB3 H 1 1.820 0.020 . 1 . . . . . 119 ARG HB3 . 17595 1 1449 . 1 1 119 119 ARG C C 13 176.559 0.3 . 1 . . . . . 119 ARG C . 17595 1 1450 . 1 1 119 119 ARG CA C 13 56.106 0.3 . 1 . . . . . 119 ARG CA . 17595 1 1451 . 1 1 119 119 ARG CB C 13 30.925 0.3 . 1 . . . . . 119 ARG CB . 17595 1 1452 . 1 1 119 119 ARG CG C 13 26.999 0.3 . 1 . . . . . 119 ARG CG . 17595 1 1453 . 1 1 119 119 ARG CD C 13 43.345 0.3 . 1 . . . . . 119 ARG CD . 17595 1 1454 . 1 1 119 119 ARG N N 15 121.676 0.3 . 1 . . . . . 119 ARG N . 17595 1 1455 . 1 1 120 120 GLY H H 1 8.388 0.020 . 1 . . . . . 120 GLY H . 17595 1 1456 . 1 1 120 120 GLY HA2 H 1 3.962 0.020 . 2 . . . . . 120 GLY HA2 . 17595 1 1457 . 1 1 120 120 GLY HA3 H 1 3.947 0.020 . 2 . . . . . 120 GLY HA3 . 17595 1 1458 . 1 1 120 120 GLY C C 13 173.894 0.3 . 1 . . . . . 120 GLY C . 17595 1 1459 . 1 1 120 120 GLY CA C 13 45.267 0.3 . 1 . . . . . 120 GLY CA . 17595 1 1460 . 1 1 120 120 GLY N N 15 110.081 0.3 . 1 . . . . . 120 GLY N . 17595 1 1461 . 1 1 121 121 ILE H H 1 7.946 0.020 . 1 . . . . . 121 ILE H . 17595 1 1462 . 1 1 121 121 ILE HA H 1 4.172 0.020 . 1 . . . . . 121 ILE HA . 17595 1 1463 . 1 1 121 121 ILE HB H 1 1.861 0.020 . 1 . . . . . 121 ILE HB . 17595 1 1464 . 1 1 121 121 ILE HG12 H 1 1.421 0.020 . 2 . . . . . 121 ILE HG12 . 17595 1 1465 . 1 1 121 121 ILE HG13 H 1 1.179 0.020 . 2 . . . . . 121 ILE HG13 . 17595 1 1466 . 1 1 121 121 ILE HG21 H 1 0.931 0.020 . 1 . . . . . 121 ILE HG2 . 17595 1 1467 . 1 1 121 121 ILE HG22 H 1 0.931 0.020 . 1 . . . . . 121 ILE HG2 . 17595 1 1468 . 1 1 121 121 ILE HG23 H 1 0.931 0.020 . 1 . . . . . 121 ILE HG2 . 17595 1 1469 . 1 1 121 121 ILE HD11 H 1 0.849 0.020 . 1 . . . . . 121 ILE HD1 . 17595 1 1470 . 1 1 121 121 ILE HD12 H 1 0.849 0.020 . 1 . . . . . 121 ILE HD1 . 17595 1 1471 . 1 1 121 121 ILE HD13 H 1 0.849 0.020 . 1 . . . . . 121 ILE HD1 . 17595 1 1472 . 1 1 121 121 ILE C C 13 176.064 0.3 . 1 . . . . . 121 ILE C . 17595 1 1473 . 1 1 121 121 ILE CA C 13 61.101 0.3 . 1 . . . . . 121 ILE CA . 17595 1 1474 . 1 1 121 121 ILE CB C 13 38.727 0.3 . 1 . . . . . 121 ILE CB . 17595 1 1475 . 1 1 121 121 ILE CG1 C 13 27.155 0.3 . 1 . . . . . 121 ILE CG1 . 17595 1 1476 . 1 1 121 121 ILE CG2 C 13 17.444 0.3 . 1 . . . . . 121 ILE CG2 . 17595 1 1477 . 1 1 121 121 ILE CD1 C 13 13.164 0.3 . 1 . . . . . 121 ILE CD1 . 17595 1 1478 . 1 1 121 121 ILE N N 15 119.542 0.3 . 1 . . . . . 121 ILE N . 17595 1 1479 . 1 1 122 122 LYS H H 1 8.275 0.020 . 1 . . . . . 122 LYS H . 17595 1 1480 . 1 1 122 122 LYS HA H 1 4.307 0.020 . 1 . . . . . 122 LYS HA . 17595 1 1481 . 1 1 122 122 LYS HB2 H 1 1.760 0.020 . 1 . . . . . 122 LYS HB2 . 17595 1 1482 . 1 1 122 122 LYS HB3 H 1 1.760 0.020 . 1 . . . . . 122 LYS HB3 . 17595 1 1483 . 1 1 122 122 LYS HG2 H 1 1.466 0.020 . 2 . . . . . 122 LYS HG2 . 17595 1 1484 . 1 1 122 122 LYS HG3 H 1 1.395 0.020 . 2 . . . . . 122 LYS HG3 . 17595 1 1485 . 1 1 122 122 LYS HD2 H 1 2.124 0.020 . 2 . . . . . 122 LYS HD2 . 17595 1 1486 . 1 1 122 122 LYS HD3 H 1 1.992 0.020 . 2 . . . . . 122 LYS HD3 . 17595 1 1487 . 1 1 122 122 LYS C C 13 175.973 0.3 . 1 . . . . . 122 LYS C . 17595 1 1488 . 1 1 122 122 LYS CA C 13 56.288 0.3 . 1 . . . . . 122 LYS CA . 17595 1 1489 . 1 1 122 122 LYS CB C 13 33.022 0.3 . 1 . . . . . 122 LYS CB . 17595 1 1490 . 1 1 122 122 LYS CG C 13 24.716 0.3 . 1 . . . . . 122 LYS CG . 17595 1 1491 . 1 1 122 122 LYS CD C 13 29.039 0.3 . 1 . . . . . 122 LYS CD . 17595 1 1492 . 1 1 122 122 LYS CE C 13 42.000 0.3 . 1 . . . . . 122 LYS CE . 17595 1 1493 . 1 1 122 122 LYS N N 15 124.783 0.3 . 1 . . . . . 122 LYS N . 17595 1 1494 . 1 1 123 123 LYS H H 1 8.188 0.020 . 1 . . . . . 123 LYS H . 17595 1 1495 . 1 1 123 123 LYS HA H 1 4.295 0.020 . 1 . . . . . 123 LYS HA . 17595 1 1496 . 1 1 123 123 LYS HB2 H 1 1.688 0.020 . 2 . . . . . 123 LYS HB2 . 17595 1 1497 . 1 1 123 123 LYS HB3 H 1 1.588 0.020 . 2 . . . . . 123 LYS HB3 . 17595 1 1498 . 1 1 123 123 LYS C C 13 175.901 0.3 . 1 . . . . . 123 LYS C . 17595 1 1499 . 1 1 123 123 LYS CA C 13 56.069 0.3 . 1 . . . . . 123 LYS CA . 17595 1 1500 . 1 1 123 123 LYS CB C 13 33.104 0.3 . 1 . . . . . 123 LYS CB . 17595 1 1501 . 1 1 123 123 LYS CG C 13 24.528 0.3 . 1 . . . . . 123 LYS CG . 17595 1 1502 . 1 1 123 123 LYS CE C 13 42.053 0.3 . 1 . . . . . 123 LYS CE . 17595 1 1503 . 1 1 123 123 LYS N N 15 123.081 0.3 . 1 . . . . . 123 LYS N . 17595 1 1504 . 1 1 124 124 VAL H H 1 8.087 0.020 . 1 . . . . . 124 VAL H . 17595 1 1505 . 1 1 124 124 VAL HA H 1 4.024 0.020 . 1 . . . . . 124 VAL HA . 17595 1 1506 . 1 1 124 124 VAL HB H 1 1.922 0.020 . 1 . . . . . 124 VAL HB . 17595 1 1507 . 1 1 124 124 VAL HG11 H 1 1.201 0.020 . 1 . . . . . 124 VAL HG1 . 17595 1 1508 . 1 1 124 124 VAL HG12 H 1 1.201 0.020 . 1 . . . . . 124 VAL HG1 . 17595 1 1509 . 1 1 124 124 VAL HG13 H 1 1.201 0.020 . 1 . . . . . 124 VAL HG1 . 17595 1 1510 . 1 1 124 124 VAL HG21 H 1 0.787 0.020 . 1 . . . . . 124 VAL HG2 . 17595 1 1511 . 1 1 124 124 VAL HG22 H 1 0.787 0.020 . 1 . . . . . 124 VAL HG2 . 17595 1 1512 . 1 1 124 124 VAL HG23 H 1 0.787 0.020 . 1 . . . . . 124 VAL HG2 . 17595 1 1513 . 1 1 124 124 VAL C C 13 175.553 0.3 . 1 . . . . . 124 VAL C . 17595 1 1514 . 1 1 124 124 VAL CA C 13 62.063 0.3 . 1 . . . . . 124 VAL CA . 17595 1 1515 . 1 1 124 124 VAL CB C 13 32.877 0.3 . 1 . . . . . 124 VAL CB . 17595 1 1516 . 1 1 124 124 VAL CG1 C 13 22.643 0.3 . 1 . . . . . 124 VAL CG1 . 17595 1 1517 . 1 1 124 124 VAL CG2 C 13 21.110 0.3 . 1 . . . . . 124 VAL CG2 . 17595 1 1518 . 1 1 124 124 VAL N N 15 122.522 0.3 . 1 . . . . . 124 VAL N . 17595 1 1519 . 1 1 125 125 ILE H H 1 8.125 0.020 . 1 . . . . . 125 ILE H . 17595 1 1520 . 1 1 125 125 ILE HA H 1 3.930 0.020 . 1 . . . . . 125 ILE HA . 17595 1 1521 . 1 1 125 125 ILE HB H 1 1.521 0.020 . 1 . . . . . 125 ILE HB . 17595 1 1522 . 1 1 125 125 ILE HG12 H 1 1.328 0.020 . 2 . . . . . 125 ILE HG12 . 17595 1 1523 . 1 1 125 125 ILE HG13 H 1 1.000 0.020 . 2 . . . . . 125 ILE HG13 . 17595 1 1524 . 1 1 125 125 ILE HG21 H 1 0.400 0.020 . 1 . . . . . 125 ILE HG2 . 17595 1 1525 . 1 1 125 125 ILE HG22 H 1 0.400 0.020 . 1 . . . . . 125 ILE HG2 . 17595 1 1526 . 1 1 125 125 ILE HG23 H 1 0.400 0.020 . 1 . . . . . 125 ILE HG2 . 17595 1 1527 . 1 1 125 125 ILE HD11 H 1 0.741 0.020 . 1 . . . . . 125 ILE HD1 . 17595 1 1528 . 1 1 125 125 ILE HD12 H 1 0.741 0.020 . 1 . . . . . 125 ILE HD1 . 17595 1 1529 . 1 1 125 125 ILE HD13 H 1 0.741 0.020 . 1 . . . . . 125 ILE HD1 . 17595 1 1530 . 1 1 125 125 ILE C C 13 175.210 0.3 . 1 . . . . . 125 ILE C . 17595 1 1531 . 1 1 125 125 ILE CA C 13 60.601 0.3 . 1 . . . . . 125 ILE CA . 17595 1 1532 . 1 1 125 125 ILE CB C 13 38.467 0.3 . 1 . . . . . 125 ILE CB . 17595 1 1533 . 1 1 125 125 ILE CG1 C 13 27.195 0.3 . 1 . . . . . 125 ILE CG1 . 17595 1 1534 . 1 1 125 125 ILE CG2 C 13 17.180 0.3 . 1 . . . . . 125 ILE CG2 . 17595 1 1535 . 1 1 125 125 ILE CD1 C 13 12.603 0.3 . 1 . . . . . 125 ILE CD1 . 17595 1 1536 . 1 1 125 125 ILE N N 15 126.170 0.3 . 1 . . . . . 125 ILE N . 17595 1 1537 . 1 1 126 126 LYS H H 1 8.076 0.020 . 1 . . . . . 126 LYS H . 17595 1 1538 . 1 1 126 126 LYS HA H 1 4.122 0.020 . 1 . . . . . 126 LYS HA . 17595 1 1539 . 1 1 126 126 LYS HB2 H 1 1.424 0.020 . 1 . . . . . 126 LYS HB2 . 17595 1 1540 . 1 1 126 126 LYS HB3 H 1 1.424 0.020 . 1 . . . . . 126 LYS HB3 . 17595 1 1541 . 1 1 126 126 LYS HG2 H 1 1.063 0.020 . 2 . . . . . 126 LYS HG2 . 17595 1 1542 . 1 1 126 126 LYS HG3 H 1 0.920 0.020 . 2 . . . . . 126 LYS HG3 . 17595 1 1543 . 1 1 126 126 LYS HD2 H 1 2.140 0.020 . 2 . . . . . 126 LYS HD2 . 17595 1 1544 . 1 1 126 126 LYS HD3 H 1 1.992 0.020 . 2 . . . . . 126 LYS HD3 . 17595 1 1545 . 1 1 126 126 LYS HE2 H 1 2.790 0.020 . 1 . . . . . 126 LYS HE2 . 17595 1 1546 . 1 1 126 126 LYS HE3 H 1 2.790 0.020 . 1 . . . . . 126 LYS HE3 . 17595 1 1547 . 1 1 126 126 LYS C C 13 175.529 0.3 . 1 . . . . . 126 LYS C . 17595 1 1548 . 1 1 126 126 LYS CA C 13 55.777 0.3 . 1 . . . . . 126 LYS CA . 17595 1 1549 . 1 1 126 126 LYS CB C 13 33.108 0.3 . 1 . . . . . 126 LYS CB . 17595 1 1550 . 1 1 126 126 LYS CG C 13 24.484 0.3 . 1 . . . . . 126 LYS CG . 17595 1 1551 . 1 1 126 126 LYS CD C 13 29.083 0.3 . 1 . . . . . 126 LYS CD . 17595 1 1552 . 1 1 126 126 LYS CE C 13 42.017 0.3 . 1 . . . . . 126 LYS CE . 17595 1 1553 . 1 1 126 126 LYS N N 15 125.925 0.3 . 1 . . . . . 126 LYS N . 17595 1 1554 . 1 1 127 127 TRP H H 1 7.747 0.020 . 1 . . . . . 127 TRP H . 17595 1 1555 . 1 1 127 127 TRP HA H 1 4.730 0.020 . 1 . . . . . 127 TRP HA . 17595 1 1556 . 1 1 127 127 TRP HB2 H 1 3.085 0.020 . 2 . . . . . 127 TRP HB2 . 17595 1 1557 . 1 1 127 127 TRP HB3 H 1 3.061 0.020 . 2 . . . . . 127 TRP HB3 . 17595 1 1558 . 1 1 127 127 TRP HD1 H 1 7.217 0.020 . 1 . . . . . 127 TRP HD1 . 17595 1 1559 . 1 1 127 127 TRP HE1 H 1 10.126 0.020 . 1 . . . . . 127 TRP HE1 . 17595 1 1560 . 1 1 127 127 TRP HE3 H 1 7.235 0.020 . 1 . . . . . 127 TRP HE3 . 17595 1 1561 . 1 1 127 127 TRP HZ2 H 1 7.440 0.020 . 1 . . . . . 127 TRP HZ2 . 17595 1 1562 . 1 1 127 127 TRP HZ3 H 1 7.042 0.020 . 1 . . . . . 127 TRP HZ3 . 17595 1 1563 . 1 1 127 127 TRP HH2 H 1 7.182 0.020 . 1 . . . . . 127 TRP HH2 . 17595 1 1564 . 1 1 127 127 TRP C C 13 175.627 0.3 . 1 . . . . . 127 TRP C . 17595 1 1565 . 1 1 127 127 TRP CA C 13 55.759 0.3 . 1 . . . . . 127 TRP CA . 17595 1 1566 . 1 1 127 127 TRP CB C 13 30.654 0.3 . 1 . . . . . 127 TRP CB . 17595 1 1567 . 1 1 127 127 TRP CD1 C 13 127.935 0.3 . 1 . . . . . 127 TRP CD1 . 17595 1 1568 . 1 1 127 127 TRP CE3 C 13 120.198 0.3 . 1 . . . . . 127 TRP CE3 . 17595 1 1569 . 1 1 127 127 TRP CZ2 C 13 114.532 0.3 . 1 . . . . . 127 TRP CZ2 . 17595 1 1570 . 1 1 127 127 TRP CZ3 C 13 121.752 0.3 . 1 . . . . . 127 TRP CZ3 . 17595 1 1571 . 1 1 127 127 TRP CH2 C 13 124.323 0.3 . 1 . . . . . 127 TRP CH2 . 17595 1 1572 . 1 1 127 127 TRP N N 15 121.230 0.3 . 1 . . . . . 127 TRP N . 17595 1 1573 . 1 1 127 127 TRP NE1 N 15 129.084 0.3 . 1 . . . . . 127 TRP NE1 . 17595 1 1574 . 1 1 128 128 ARG H H 1 8.441 0.020 . 1 . . . . . 128 ARG H . 17595 1 1575 . 1 1 128 128 ARG HA H 1 4.535 0.020 . 1 . . . . . 128 ARG HA . 17595 1 1576 . 1 1 128 128 ARG HB2 H 1 1.508 0.020 . 1 . . . . . 128 ARG HB2 . 17595 1 1577 . 1 1 128 128 ARG HB3 H 1 1.508 0.020 . 1 . . . . . 128 ARG HB3 . 17595 1 1578 . 1 1 128 128 ARG C C 13 174.484 0.3 . 1 . . . . . 128 ARG C . 17595 1 1579 . 1 1 128 128 ARG CA C 13 56.200 0.3 . 1 . . . . . 128 ARG CA . 17595 1 1580 . 1 1 128 128 ARG CB C 13 34.362 0.3 . 1 . . . . . 128 ARG CB . 17595 1 1581 . 1 1 128 128 ARG N N 15 120.438 0.3 . 1 . . . . . 128 ARG N . 17595 1 1582 . 1 1 129 129 TYR H H 1 8.441 0.020 . 1 . . . . . 129 TYR H . 17595 1 1583 . 1 1 129 129 TYR HA H 1 5.495 0.020 . 1 . . . . . 129 TYR HA . 17595 1 1584 . 1 1 129 129 TYR HB2 H 1 2.887 0.020 . 2 . . . . . 129 TYR HB2 . 17595 1 1585 . 1 1 129 129 TYR HB3 H 1 2.627 0.020 . 2 . . . . . 129 TYR HB3 . 17595 1 1586 . 1 1 129 129 TYR HD1 H 1 6.597 0.020 . 1 . . . . . 129 TYR HD1 . 17595 1 1587 . 1 1 129 129 TYR HD2 H 1 6.597 0.020 . 1 . . . . . 129 TYR HD2 . 17595 1 1588 . 1 1 129 129 TYR HE1 H 1 6.743 0.020 . 1 . . . . . 129 TYR HE1 . 17595 1 1589 . 1 1 129 129 TYR HE2 H 1 6.743 0.020 . 1 . . . . . 129 TYR HE2 . 17595 1 1590 . 1 1 129 129 TYR C C 13 174.031 0.3 . 1 . . . . . 129 TYR C . 17595 1 1591 . 1 1 129 129 TYR CA C 13 56.460 0.3 . 1 . . . . . 129 TYR CA . 17595 1 1592 . 1 1 129 129 TYR CB C 13 42.887 0.3 . 1 . . . . . 129 TYR CB . 17595 1 1593 . 1 1 129 129 TYR CD1 C 13 132.572 0.3 . 1 . . . . . 129 TYR CD1 . 17595 1 1594 . 1 1 129 129 TYR CE1 C 13 118.659 0.3 . 1 . . . . . 129 TYR CE1 . 17595 1 1595 . 1 1 129 129 TYR N N 15 116.750 0.3 . 1 . . . . . 129 TYR N . 17595 1 1596 . 1 1 130 130 VAL H H 1 9.708 0.020 . 1 . . . . . 130 VAL H . 17595 1 1597 . 1 1 130 130 VAL HA H 1 5.397 0.020 . 1 . . . . . 130 VAL HA . 17595 1 1598 . 1 1 130 130 VAL HB H 1 1.830 0.020 . 1 . . . . . 130 VAL HB . 17595 1 1599 . 1 1 130 130 VAL HG11 H 1 0.893 0.020 . 1 . . . . . 130 VAL HG1 . 17595 1 1600 . 1 1 130 130 VAL HG12 H 1 0.893 0.020 . 1 . . . . . 130 VAL HG1 . 17595 1 1601 . 1 1 130 130 VAL HG13 H 1 0.893 0.020 . 1 . . . . . 130 VAL HG1 . 17595 1 1602 . 1 1 130 130 VAL HG21 H 1 0.856 0.020 . 1 . . . . . 130 VAL HG2 . 17595 1 1603 . 1 1 130 130 VAL HG22 H 1 0.856 0.020 . 1 . . . . . 130 VAL HG2 . 17595 1 1604 . 1 1 130 130 VAL HG23 H 1 0.856 0.020 . 1 . . . . . 130 VAL HG2 . 17595 1 1605 . 1 1 130 130 VAL C C 13 172.414 0.3 . 1 . . . . . 130 VAL C . 17595 1 1606 . 1 1 130 130 VAL CA C 13 58.912 0.3 . 1 . . . . . 130 VAL CA . 17595 1 1607 . 1 1 130 130 VAL CB C 13 35.769 0.3 . 1 . . . . . 130 VAL CB . 17595 1 1608 . 1 1 130 130 VAL CG1 C 13 21.187 0.3 . 1 . . . . . 130 VAL CG1 . 17595 1 1609 . 1 1 130 130 VAL CG2 C 13 18.970 0.3 . 1 . . . . . 130 VAL CG2 . 17595 1 1610 . 1 1 130 130 VAL N N 15 119.980 0.3 . 1 . . . . . 130 VAL N . 17595 1 1611 . 1 1 131 131 CYS H H 1 9.291 0.020 . 1 . . . . . 131 CYS H . 17595 1 1612 . 1 1 131 131 CYS HA H 1 4.674 0.020 . 1 . . . . . 131 CYS HA . 17595 1 1613 . 1 1 131 131 CYS HB2 H 1 3.262 0.020 . 2 . . . . . 131 CYS HB2 . 17595 1 1614 . 1 1 131 131 CYS HB3 H 1 2.929 0.020 . 2 . . . . . 131 CYS HB3 . 17595 1 1615 . 1 1 131 131 CYS C C 13 178.397 0.3 . 1 . . . . . 131 CYS C . 17595 1 1616 . 1 1 131 131 CYS CA C 13 59.993 0.3 . 1 . . . . . 131 CYS CA . 17595 1 1617 . 1 1 131 131 CYS CB C 13 30.925 0.3 . 1 . . . . . 131 CYS CB . 17595 1 1618 . 1 1 131 131 CYS N N 15 129.161 0.3 . 1 . . . . . 131 CYS N . 17595 1 1619 . 1 1 132 132 ILE H H 1 8.594 0.020 . 1 . . . . . 132 ILE H . 17595 1 1620 . 1 1 132 132 ILE HA H 1 4.162 0.020 . 1 . . . . . 132 ILE HA . 17595 1 1621 . 1 1 132 132 ILE HB H 1 2.158 0.020 . 1 . . . . . 132 ILE HB . 17595 1 1622 . 1 1 132 132 ILE HG12 H 1 1.594 0.020 . 2 . . . . . 132 ILE HG12 . 17595 1 1623 . 1 1 132 132 ILE HG13 H 1 1.419 0.020 . 2 . . . . . 132 ILE HG13 . 17595 1 1624 . 1 1 132 132 ILE HG21 H 1 1.003 0.020 . 1 . . . . . 132 ILE HG2 . 17595 1 1625 . 1 1 132 132 ILE HG22 H 1 1.003 0.020 . 1 . . . . . 132 ILE HG2 . 17595 1 1626 . 1 1 132 132 ILE HG23 H 1 1.003 0.020 . 1 . . . . . 132 ILE HG2 . 17595 1 1627 . 1 1 132 132 ILE HD11 H 1 0.901 0.020 . 1 . . . . . 132 ILE HD1 . 17595 1 1628 . 1 1 132 132 ILE HD12 H 1 0.901 0.020 . 1 . . . . . 132 ILE HD1 . 17595 1 1629 . 1 1 132 132 ILE HD13 H 1 0.901 0.020 . 1 . . . . . 132 ILE HD1 . 17595 1 1630 . 1 1 132 132 ILE C C 13 175.676 0.3 . 1 . . . . . 132 ILE C . 17595 1 1631 . 1 1 132 132 ILE CA C 13 63.547 0.3 . 1 . . . . . 132 ILE CA . 17595 1 1632 . 1 1 132 132 ILE CB C 13 37.880 0.3 . 1 . . . . . 132 ILE CB . 17595 1 1633 . 1 1 132 132 ILE CG1 C 13 26.059 0.3 . 1 . . . . . 132 ILE CG1 . 17595 1 1634 . 1 1 132 132 ILE CG2 C 13 17.994 0.3 . 1 . . . . . 132 ILE CG2 . 17595 1 1635 . 1 1 132 132 ILE CD1 C 13 14.223 0.3 . 1 . . . . . 132 ILE CD1 . 17595 1 1636 . 1 1 132 132 ILE N N 15 127.133 0.3 . 1 . . . . . 132 ILE N . 17595 1 1637 . 1 1 133 133 GLY H H 1 9.913 0.020 . 1 . . . . . 133 GLY H . 17595 1 1638 . 1 1 133 133 GLY HA2 H 1 4.193 0.020 . 2 . . . . . 133 GLY HA2 . 17595 1 1639 . 1 1 133 133 GLY HA3 H 1 3.861 0.020 . 2 . . . . . 133 GLY HA3 . 17595 1 1640 . 1 1 133 133 GLY C C 13 174.497 0.3 . 1 . . . . . 133 GLY C . 17595 1 1641 . 1 1 133 133 GLY CA C 13 46.157 0.3 . 1 . . . . . 133 GLY CA . 17595 1 1642 . 1 1 133 133 GLY N N 15 115.957 0.3 . 1 . . . . . 133 GLY N . 17595 1 1643 . 1 1 134 134 CYS H H 1 9.300 0.020 . 1 . . . . . 134 CYS H . 17595 1 1644 . 1 1 134 134 CYS HA H 1 4.896 0.020 . 1 . . . . . 134 CYS HA . 17595 1 1645 . 1 1 134 134 CYS HB2 H 1 3.199 0.020 . 2 . . . . . 134 CYS HB2 . 17595 1 1646 . 1 1 134 134 CYS HB3 H 1 2.876 0.020 . 2 . . . . . 134 CYS HB3 . 17595 1 1647 . 1 1 134 134 CYS C C 13 177.307 0.3 . 1 . . . . . 134 CYS C . 17595 1 1648 . 1 1 134 134 CYS CA C 13 59.227 0.3 . 1 . . . . . 134 CYS CA . 17595 1 1649 . 1 1 134 134 CYS CB C 13 32.265 0.3 . 1 . . . . . 134 CYS CB . 17595 1 1650 . 1 1 134 134 CYS N N 15 123.821 0.3 . 1 . . . . . 134 CYS N . 17595 1 1651 . 1 1 135 135 GLY H H 1 7.524 0.020 . 1 . . . . . 135 GLY H . 17595 1 1652 . 1 1 135 135 GLY HA2 H 1 4.110 0.020 . 2 . . . . . 135 GLY HA2 . 17595 1 1653 . 1 1 135 135 GLY HA3 H 1 3.784 0.020 . 2 . . . . . 135 GLY HA3 . 17595 1 1654 . 1 1 135 135 GLY C C 13 173.291 0.3 . 1 . . . . . 135 GLY C . 17595 1 1655 . 1 1 135 135 GLY CA C 13 46.015 0.3 . 1 . . . . . 135 GLY CA . 17595 1 1656 . 1 1 135 135 GLY N N 15 111.507 0.3 . 1 . . . . . 135 GLY N . 17595 1 1657 . 1 1 136 136 ARG H H 1 8.422 0.020 . 1 . . . . . 136 ARG H . 17595 1 1658 . 1 1 136 136 ARG HA H 1 3.791 0.020 . 1 . . . . . 136 ARG HA . 17595 1 1659 . 1 1 136 136 ARG HB2 H 1 1.822 0.020 . 2 . . . . . 136 ARG HB2 . 17595 1 1660 . 1 1 136 136 ARG HB3 H 1 1.495 0.020 . 2 . . . . . 136 ARG HB3 . 17595 1 1661 . 1 1 136 136 ARG HG2 H 1 1.336 0.020 . 2 . . . . . 136 ARG HG2 . 17595 1 1662 . 1 1 136 136 ARG HG3 H 1 0.583 0.020 . 2 . . . . . 136 ARG HG3 . 17595 1 1663 . 1 1 136 136 ARG HD2 H 1 3.086 0.020 . 2 . . . . . 136 ARG HD2 . 17595 1 1664 . 1 1 136 136 ARG HD3 H 1 2.874 0.020 . 2 . . . . . 136 ARG HD3 . 17595 1 1665 . 1 1 136 136 ARG C C 13 173.588 0.3 . 1 . . . . . 136 ARG C . 17595 1 1666 . 1 1 136 136 ARG CA C 13 58.182 0.3 . 1 . . . . . 136 ARG CA . 17595 1 1667 . 1 1 136 136 ARG CB C 13 30.420 0.3 . 1 . . . . . 136 ARG CB . 17595 1 1668 . 1 1 136 136 ARG CG C 13 27.455 0.3 . 1 . . . . . 136 ARG CG . 17595 1 1669 . 1 1 136 136 ARG CD C 13 43.605 0.3 . 1 . . . . . 136 ARG CD . 17595 1 1670 . 1 1 136 136 ARG N N 15 124.636 0.3 . 1 . . . . . 136 ARG N . 17595 1 1671 . 1 1 137 137 LYS H H 1 7.546 0.020 . 1 . . . . . 137 LYS H . 17595 1 1672 . 1 1 137 137 LYS HA H 1 5.094 0.020 . 1 . . . . . 137 LYS HA . 17595 1 1673 . 1 1 137 137 LYS HB2 H 1 1.201 0.020 . 2 . . . . . 137 LYS HB2 . 17595 1 1674 . 1 1 137 137 LYS HB3 H 1 0.465 0.020 . 2 . . . . . 137 LYS HB3 . 17595 1 1675 . 1 1 137 137 LYS HG2 H 1 1.073 0.020 . 1 . . . . . 137 LYS HG2 . 17595 1 1676 . 1 1 137 137 LYS HG3 H 1 1.073 0.020 . 1 . . . . . 137 LYS HG3 . 17595 1 1677 . 1 1 137 137 LYS HD2 H 1 1.284 0.020 . 2 . . . . . 137 LYS HD2 . 17595 1 1678 . 1 1 137 137 LYS HD3 H 1 1.006 0.020 . 2 . . . . . 137 LYS HD3 . 17595 1 1679 . 1 1 137 137 LYS HE2 H 1 2.533 0.020 . 2 . . . . . 137 LYS HE2 . 17595 1 1680 . 1 1 137 137 LYS HE3 H 1 2.485 0.020 . 2 . . . . . 137 LYS HE3 . 17595 1 1681 . 1 1 137 137 LYS C C 13 175.322 0.3 . 1 . . . . . 137 LYS C . 17595 1 1682 . 1 1 137 137 LYS CA C 13 54.673 0.3 . 1 . . . . . 137 LYS CA . 17595 1 1683 . 1 1 137 137 LYS CB C 13 34.467 0.3 . 1 . . . . . 137 LYS CB . 17595 1 1684 . 1 1 137 137 LYS CG C 13 25.293 0.3 . 1 . . . . . 137 LYS CG . 17595 1 1685 . 1 1 137 137 LYS CD C 13 28.803 0.3 . 1 . . . . . 137 LYS CD . 17595 1 1686 . 1 1 137 137 LYS CE C 13 41.737 0.3 . 1 . . . . . 137 LYS CE . 17595 1 1687 . 1 1 137 137 LYS N N 15 122.179 0.3 . 1 . . . . . 137 LYS N . 17595 1 1688 . 1 1 138 138 PHE H H 1 8.875 0.020 . 1 . . . . . 138 PHE H . 17595 1 1689 . 1 1 138 138 PHE HA H 1 5.225 0.020 . 1 . . . . . 138 PHE HA . 17595 1 1690 . 1 1 138 138 PHE HB2 H 1 3.809 0.020 . 2 . . . . . 138 PHE HB2 . 17595 1 1691 . 1 1 138 138 PHE HB3 H 1 2.735 0.020 . 2 . . . . . 138 PHE HB3 . 17595 1 1692 . 1 1 138 138 PHE HD1 H 1 7.178 0.020 . 1 . . . . . 138 PHE HD1 . 17595 1 1693 . 1 1 138 138 PHE HD2 H 1 7.178 0.020 . 1 . . . . . 138 PHE HD2 . 17595 1 1694 . 1 1 138 138 PHE HE1 H 1 7.137 0.020 . 1 . . . . . 138 PHE HE1 . 17595 1 1695 . 1 1 138 138 PHE HE2 H 1 7.137 0.020 . 1 . . . . . 138 PHE HE2 . 17595 1 1696 . 1 1 138 138 PHE HZ H 1 7.801 0.020 . 1 . . . . . 138 PHE HZ . 17595 1 1697 . 1 1 138 138 PHE C C 13 177.263 0.3 . 1 . . . . . 138 PHE C . 17595 1 1698 . 1 1 138 138 PHE CA C 13 56.555 0.3 . 1 . . . . . 138 PHE CA . 17595 1 1699 . 1 1 138 138 PHE CB C 13 43.896 0.3 . 1 . . . . . 138 PHE CB . 17595 1 1700 . 1 1 138 138 PHE CD1 C 13 132.394 0.3 . 1 . . . . . 138 PHE CD1 . 17595 1 1701 . 1 1 138 138 PHE CE1 C 13 131.195 0.3 . 1 . . . . . 138 PHE CE1 . 17595 1 1702 . 1 1 138 138 PHE CZ C 13 128.957 0.3 . 1 . . . . . 138 PHE CZ . 17595 1 1703 . 1 1 138 138 PHE N N 15 114.631 0.3 . 1 . . . . . 138 PHE N . 17595 1 1704 . 1 1 139 139 SER HA H 1 4.909 0.020 . 1 . . . . . 139 SER HA . 17595 1 1705 . 1 1 139 139 SER HB2 H 1 4.037 0.020 . 1 . . . . . 139 SER HB2 . 17595 1 1706 . 1 1 139 139 SER HB3 H 1 3.840 0.020 . 1 . . . . . 139 SER HB3 . 17595 1 1707 . 1 1 139 139 SER C C 13 173.564 0.3 . 1 . . . . . 139 SER C . 17595 1 1708 . 1 1 139 139 SER CA C 13 60.323 0.3 . 1 . . . . . 139 SER CA . 17595 1 1709 . 1 1 139 139 SER CB C 13 64.058 0.3 . 1 . . . . . 139 SER CB . 17595 1 1710 . 1 1 140 140 THR H H 1 7.616 0.020 . 1 . . . . . 140 THR H . 17595 1 1711 . 1 1 140 140 THR HA H 1 4.671 0.020 . 1 . . . . . 140 THR HA . 17595 1 1712 . 1 1 140 140 THR HB H 1 4.150 0.020 . 1 . . . . . 140 THR HB . 17595 1 1713 . 1 1 140 140 THR HG21 H 1 1.192 0.020 . 1 . . . . . 140 THR HG2 . 17595 1 1714 . 1 1 140 140 THR HG22 H 1 1.192 0.020 . 1 . . . . . 140 THR HG2 . 17595 1 1715 . 1 1 140 140 THR HG23 H 1 1.192 0.020 . 1 . . . . . 140 THR HG2 . 17595 1 1716 . 1 1 140 140 THR C C 13 172.560 0.3 . 1 . . . . . 140 THR C . 17595 1 1717 . 1 1 140 140 THR CA C 13 59.750 0.3 . 1 . . . . . 140 THR CA . 17595 1 1718 . 1 1 140 140 THR CB C 13 71.369 0.3 . 1 . . . . . 140 THR CB . 17595 1 1719 . 1 1 140 140 THR CG2 C 13 21.537 0.3 . 1 . . . . . 140 THR CG2 . 17595 1 1720 . 1 1 140 140 THR N N 15 112.426 0.3 . 1 . . . . . 140 THR N . 17595 1 1721 . 1 1 141 141 LEU H H 1 8.202 0.020 . 1 . . . . . 141 LEU H . 17595 1 1722 . 1 1 141 141 LEU HA H 1 3.271 0.020 . 1 . . . . . 141 LEU HA . 17595 1 1723 . 1 1 141 141 LEU HB2 H 1 1.448 0.020 . 2 . . . . . 141 LEU HB2 . 17595 1 1724 . 1 1 141 141 LEU HB3 H 1 0.838 0.020 . 2 . . . . . 141 LEU HB3 . 17595 1 1725 . 1 1 141 141 LEU HG H 1 1.200 0.020 . 1 . . . . . 141 LEU HG . 17595 1 1726 . 1 1 141 141 LEU HD11 H 1 0.607 0.020 . 1 . . . . . 141 LEU HD1 . 17595 1 1727 . 1 1 141 141 LEU HD12 H 1 0.607 0.020 . 1 . . . . . 141 LEU HD1 . 17595 1 1728 . 1 1 141 141 LEU HD13 H 1 0.607 0.020 . 1 . . . . . 141 LEU HD1 . 17595 1 1729 . 1 1 141 141 LEU HD21 H 1 0.314 0.020 . 1 . . . . . 141 LEU HD2 . 17595 1 1730 . 1 1 141 141 LEU HD22 H 1 0.314 0.020 . 1 . . . . . 141 LEU HD2 . 17595 1 1731 . 1 1 141 141 LEU HD23 H 1 0.314 0.020 . 1 . . . . . 141 LEU HD2 . 17595 1 1732 . 1 1 141 141 LEU C C 13 174.566 0.3 . 1 . . . . . 141 LEU C . 17595 1 1733 . 1 1 141 141 LEU CA C 13 53.238 0.3 . 1 . . . . . 141 LEU CA . 17595 1 1734 . 1 1 141 141 LEU CB C 13 42.103 0.3 . 1 . . . . . 141 LEU CB . 17595 1 1735 . 1 1 141 141 LEU CG C 13 25.281 0.3 . 1 . . . . . 141 LEU CG . 17595 1 1736 . 1 1 141 141 LEU CD1 C 13 25.571 0.3 . 1 . . . . . 141 LEU CD1 . 17595 1 1737 . 1 1 141 141 LEU CD2 C 13 24.054 0.3 . 1 . . . . . 141 LEU CD2 . 17595 1 1738 . 1 1 141 141 LEU N N 15 126.119 0.3 . 1 . . . . . 141 LEU N . 17595 1 1739 . 1 1 142 142 PRO HA H 1 4.561 0.020 . 1 . . . . . 142 PRO HA . 17595 1 1740 . 1 1 142 142 PRO HB2 H 1 1.971 0.020 . 2 . . . . . 142 PRO HB2 . 17595 1 1741 . 1 1 142 142 PRO HB3 H 1 1.845 0.020 . 2 . . . . . 142 PRO HB3 . 17595 1 1742 . 1 1 142 142 PRO HG2 H 1 0.876 0.020 . 2 . . . . . 142 PRO HG2 . 17595 1 1743 . 1 1 142 142 PRO HG3 H 1 0.705 0.020 . 2 . . . . . 142 PRO HG3 . 17595 1 1744 . 1 1 142 142 PRO HD2 H 1 3.158 0.020 . 2 . . . . . 142 PRO HD2 . 17595 1 1745 . 1 1 142 142 PRO HD3 H 1 2.681 0.020 . 2 . . . . . 142 PRO HD3 . 17595 1 1746 . 1 1 142 142 PRO CA C 13 61.400 0.3 . 1 . . . . . 142 PRO CA . 17595 1 1747 . 1 1 142 142 PRO CB C 13 29.789 0.3 . 1 . . . . . 142 PRO CB . 17595 1 1748 . 1 1 142 142 PRO CG C 13 26.898 0.3 . 1 . . . . . 142 PRO CG . 17595 1 1749 . 1 1 142 142 PRO CD C 13 50.268 0.3 . 1 . . . . . 142 PRO CD . 17595 1 1750 . 1 1 143 143 PRO HA H 1 4.223 0.020 . 1 . . . . . 143 PRO HA . 17595 1 1751 . 1 1 143 143 PRO HB2 H 1 2.287 0.020 . 2 . . . . . 143 PRO HB2 . 17595 1 1752 . 1 1 143 143 PRO HB3 H 1 1.853 0.020 . 2 . . . . . 143 PRO HB3 . 17595 1 1753 . 1 1 143 143 PRO HG2 H 1 2.161 0.020 . 2 . . . . . 143 PRO HG2 . 17595 1 1754 . 1 1 143 143 PRO HG3 H 1 2.023 0.020 . 2 . . . . . 143 PRO HG3 . 17595 1 1755 . 1 1 143 143 PRO HD2 H 1 3.816 0.020 . 2 . . . . . 143 PRO HD2 . 17595 1 1756 . 1 1 143 143 PRO HD3 H 1 3.578 0.020 . 2 . . . . . 143 PRO HD3 . 17595 1 1757 . 1 1 143 143 PRO C C 13 178.755 0.3 . 1 . . . . . 143 PRO C . 17595 1 1758 . 1 1 143 143 PRO CA C 13 64.151 0.3 . 1 . . . . . 143 PRO CA . 17595 1 1759 . 1 1 143 143 PRO CB C 13 31.449 0.3 . 1 . . . . . 143 PRO CB . 17595 1 1760 . 1 1 143 143 PRO CG C 13 27.611 0.3 . 1 . . . . . 143 PRO CG . 17595 1 1761 . 1 1 143 143 PRO CD C 13 50.282 0.3 . 1 . . . . . 143 PRO CD . 17595 1 1762 . 1 1 144 144 GLY H H 1 8.848 0.020 . 1 . . . . . 144 GLY H . 17595 1 1763 . 1 1 144 144 GLY HA2 H 1 4.034 0.020 . 2 . . . . . 144 GLY HA2 . 17595 1 1764 . 1 1 144 144 GLY HA3 H 1 3.717 0.020 . 2 . . . . . 144 GLY HA3 . 17595 1 1765 . 1 1 144 144 GLY C C 13 174.826 0.3 . 1 . . . . . 144 GLY C . 17595 1 1766 . 1 1 144 144 GLY CA C 13 45.533 0.3 . 1 . . . . . 144 GLY CA . 17595 1 1767 . 1 1 144 144 GLY N N 15 113.453 0.3 . 1 . . . . . 144 GLY N . 17595 1 1768 . 1 1 145 145 GLY H H 1 8.838 0.020 . 1 . . . . . 145 GLY H . 17595 1 1769 . 1 1 145 145 GLY HA2 H 1 3.086 0.020 . 2 . . . . . 145 GLY HA2 . 17595 1 1770 . 1 1 145 145 GLY HA3 H 1 3.990 0.020 . 2 . . . . . 145 GLY HA3 . 17595 1 1771 . 1 1 145 145 GLY C C 13 172.606 0.3 . 1 . . . . . 145 GLY C . 17595 1 1772 . 1 1 145 145 GLY CA C 13 46.134 0.3 . 1 . . . . . 145 GLY CA . 17595 1 1773 . 1 1 145 145 GLY N N 15 107.906 0.3 . 1 . . . . . 145 GLY N . 17595 1 1774 . 1 1 146 146 VAL H H 1 6.562 0.020 . 1 . . . . . 146 VAL H . 17595 1 1775 . 1 1 146 146 VAL HA H 1 4.647 0.020 . 1 . . . . . 146 VAL HA . 17595 1 1776 . 1 1 146 146 VAL HB H 1 1.700 0.020 . 1 . . . . . 146 VAL HB . 17595 1 1777 . 1 1 146 146 VAL HG11 H 1 0.860 0.020 . 1 . . . . . 146 VAL HG1 . 17595 1 1778 . 1 1 146 146 VAL HG12 H 1 0.860 0.020 . 1 . . . . . 146 VAL HG1 . 17595 1 1779 . 1 1 146 146 VAL HG13 H 1 0.860 0.020 . 1 . . . . . 146 VAL HG1 . 17595 1 1780 . 1 1 146 146 VAL HG21 H 1 0.678 0.020 . 1 . . . . . 146 VAL HG2 . 17595 1 1781 . 1 1 146 146 VAL HG22 H 1 0.678 0.020 . 1 . . . . . 146 VAL HG2 . 17595 1 1782 . 1 1 146 146 VAL HG23 H 1 0.678 0.020 . 1 . . . . . 146 VAL HG2 . 17595 1 1783 . 1 1 146 146 VAL C C 13 174.086 0.3 . 1 . . . . . 146 VAL C . 17595 1 1784 . 1 1 146 146 VAL CA C 13 58.675 0.3 . 1 . . . . . 146 VAL CA . 17595 1 1785 . 1 1 146 146 VAL CB C 13 34.826 0.3 . 1 . . . . . 146 VAL CB . 17595 1 1786 . 1 1 146 146 VAL CG1 C 13 21.057 0.3 . 1 . . . . . 146 VAL CG1 . 17595 1 1787 . 1 1 146 146 VAL CG2 C 13 18.814 0.3 . 1 . . . . . 146 VAL CG2 . 17595 1 1788 . 1 1 146 146 VAL N N 15 112.550 0.3 . 1 . . . . . 146 VAL N . 17595 1 1789 . 1 1 147 147 CYS H H 1 9.212 0.020 . 1 . . . . . 147 CYS H . 17595 1 1790 . 1 1 147 147 CYS HA H 1 4.170 0.020 . 1 . . . . . 147 CYS HA . 17595 1 1791 . 1 1 147 147 CYS HB2 H 1 3.293 0.020 . 2 . . . . . 147 CYS HB2 . 17595 1 1792 . 1 1 147 147 CYS HB3 H 1 3.131 0.020 . 2 . . . . . 147 CYS HB3 . 17595 1 1793 . 1 1 147 147 CYS C C 13 176.676 0.3 . 1 . . . . . 147 CYS C . 17595 1 1794 . 1 1 147 147 CYS CA C 13 57.062 0.3 . 1 . . . . . 147 CYS CA . 17595 1 1795 . 1 1 147 147 CYS CB C 13 33.363 0.3 . 1 . . . . . 147 CYS CB . 17595 1 1796 . 1 1 147 147 CYS N N 15 128.043 0.3 . 1 . . . . . 147 CYS N . 17595 1 1797 . 1 1 148 148 PRO HA H 1 4.389 0.020 . 1 . . . . . 148 PRO HA . 17595 1 1798 . 1 1 148 148 PRO HB2 H 1 2.511 0.020 . 2 . . . . . 148 PRO HB2 . 17595 1 1799 . 1 1 148 148 PRO HB3 H 1 2.098 0.020 . 2 . . . . . 148 PRO HB3 . 17595 1 1800 . 1 1 148 148 PRO HG2 H 1 2.215 0.020 . 2 . . . . . 148 PRO HG2 . 17595 1 1801 . 1 1 148 148 PRO HG3 H 1 2.195 0.020 . 2 . . . . . 148 PRO HG3 . 17595 1 1802 . 1 1 148 148 PRO HD2 H 1 4.279 0.020 . 2 . . . . . 148 PRO HD2 . 17595 1 1803 . 1 1 148 148 PRO HD3 H 1 3.917 0.020 . 2 . . . . . 148 PRO HD3 . 17595 1 1804 . 1 1 148 148 PRO C C 13 176.186 0.3 . 1 . . . . . 148 PRO C . 17595 1 1805 . 1 1 148 148 PRO CA C 13 64.009 0.3 . 1 . . . . . 148 PRO CA . 17595 1 1806 . 1 1 148 148 PRO CB C 13 32.620 0.3 . 1 . . . . . 148 PRO CB . 17595 1 1807 . 1 1 148 148 PRO CG C 13 26.733 0.3 . 1 . . . . . 148 PRO CG . 17595 1 1808 . 1 1 148 148 PRO CD C 13 51.941 0.3 . 1 . . . . . 148 PRO CD . 17595 1 1809 . 1 1 149 149 ASP H H 1 9.131 0.020 . 1 . . . . . 149 ASP H . 17595 1 1810 . 1 1 149 149 ASP HA H 1 4.773 0.020 . 1 . . . . . 149 ASP HA . 17595 1 1811 . 1 1 149 149 ASP HB2 H 1 2.676 0.020 . 2 . . . . . 149 ASP HB2 . 17595 1 1812 . 1 1 149 149 ASP HB3 H 1 2.765 0.020 . 2 . . . . . 149 ASP HB3 . 17595 1 1813 . 1 1 149 149 ASP C C 13 177.307 0.3 . 1 . . . . . 149 ASP C . 17595 1 1814 . 1 1 149 149 ASP CA C 13 56.523 0.3 . 1 . . . . . 149 ASP CA . 17595 1 1815 . 1 1 149 149 ASP CB C 13 41.739 0.3 . 1 . . . . . 149 ASP CB . 17595 1 1816 . 1 1 149 149 ASP N N 15 120.310 0.3 . 1 . . . . . 149 ASP N . 17595 1 1817 . 1 1 150 150 CYS H H 1 8.532 0.020 . 1 . . . . . 150 CYS H . 17595 1 1818 . 1 1 150 150 CYS HA H 1 5.067 0.020 . 1 . . . . . 150 CYS HA . 17595 1 1819 . 1 1 150 150 CYS HB2 H 1 3.257 0.020 . 2 . . . . . 150 CYS HB2 . 17595 1 1820 . 1 1 150 150 CYS HB3 H 1 2.618 0.020 . 2 . . . . . 150 CYS HB3 . 17595 1 1821 . 1 1 150 150 CYS C C 13 176.983 0.3 . 1 . . . . . 150 CYS C . 17595 1 1822 . 1 1 150 150 CYS CA C 13 58.417 0.3 . 1 . . . . . 150 CYS CA . 17595 1 1823 . 1 1 150 150 CYS CB C 13 32.547 0.3 . 1 . . . . . 150 CYS CB . 17595 1 1824 . 1 1 150 150 CYS N N 15 118.498 0.3 . 1 . . . . . 150 CYS N . 17595 1 1825 . 1 1 151 151 GLY H H 1 8.065 0.020 . 1 . . . . . 151 GLY H . 17595 1 1826 . 1 1 151 151 GLY HA2 H 1 3.799 0.020 . 2 . . . . . 151 GLY HA2 . 17595 1 1827 . 1 1 151 151 GLY HA3 H 1 4.189 0.020 . 2 . . . . . 151 GLY HA3 . 17595 1 1828 . 1 1 151 151 GLY C C 13 173.990 0.3 . 1 . . . . . 151 GLY C . 17595 1 1829 . 1 1 151 151 GLY CA C 13 46.204 0.3 . 1 . . . . . 151 GLY CA . 17595 1 1830 . 1 1 151 151 GLY N N 15 112.768 0.3 . 1 . . . . . 151 GLY N . 17595 1 1831 . 1 1 152 152 SER H H 1 8.426 0.020 . 1 . . . . . 152 SER H . 17595 1 1832 . 1 1 152 152 SER HA H 1 4.533 0.020 . 1 . . . . . 152 SER HA . 17595 1 1833 . 1 1 152 152 SER HB2 H 1 4.279 0.020 . 1 . . . . . 152 SER HB2 . 17595 1 1834 . 1 1 152 152 SER HB3 H 1 3.860 0.020 . 1 . . . . . 152 SER HB3 . 17595 1 1835 . 1 1 152 152 SER C C 13 171.555 0.3 . 1 . . . . . 152 SER C . 17595 1 1836 . 1 1 152 152 SER CA C 13 59.217 0.3 . 1 . . . . . 152 SER CA . 17595 1 1837 . 1 1 152 152 SER CB C 13 63.299 0.3 . 1 . . . . . 152 SER CB . 17595 1 1838 . 1 1 152 152 SER N N 15 118.493 0.3 . 1 . . . . . 152 SER N . 17595 1 1839 . 1 1 153 153 LYS H H 1 8.218 0.020 . 1 . . . . . 153 LYS H . 17595 1 1840 . 1 1 153 153 LYS HA H 1 4.383 0.020 . 1 . . . . . 153 LYS HA . 17595 1 1841 . 1 1 153 153 LYS HB2 H 1 1.855 0.020 . 2 . . . . . 153 LYS HB2 . 17595 1 1842 . 1 1 153 153 LYS HB3 H 1 1.817 0.020 . 2 . . . . . 153 LYS HB3 . 17595 1 1843 . 1 1 153 153 LYS HG2 H 1 1.616 0.020 . 2 . . . . . 153 LYS HG2 . 17595 1 1844 . 1 1 153 153 LYS HG3 H 1 1.522 0.020 . 2 . . . . . 153 LYS HG3 . 17595 1 1845 . 1 1 153 153 LYS HD2 H 1 1.741 0.020 . 2 . . . . . 153 LYS HD2 . 17595 1 1846 . 1 1 153 153 LYS HD3 H 1 1.505 0.020 . 2 . . . . . 153 LYS HD3 . 17595 1 1847 . 1 1 153 153 LYS HE2 H 1 3.048 0.020 . 1 . . . . . 153 LYS HE2 . 17595 1 1848 . 1 1 153 153 LYS HE3 H 1 3.048 0.020 . 1 . . . . . 153 LYS HE3 . 17595 1 1849 . 1 1 153 153 LYS C C 13 174.634 0.3 . 1 . . . . . 153 LYS C . 17595 1 1850 . 1 1 153 153 LYS CA C 13 57.202 0.3 . 1 . . . . . 153 LYS CA . 17595 1 1851 . 1 1 153 153 LYS CB C 13 33.340 0.3 . 1 . . . . . 153 LYS CB . 17595 1 1852 . 1 1 153 153 LYS CG C 13 25.398 0.3 . 1 . . . . . 153 LYS CG . 17595 1 1853 . 1 1 153 153 LYS CD C 13 28.780 0.3 . 1 . . . . . 153 LYS CD . 17595 1 1854 . 1 1 153 153 LYS CE C 13 42.110 0.3 . 1 . . . . . 153 LYS CE . 17595 1 1855 . 1 1 153 153 LYS N N 15 120.008 0.3 . 1 . . . . . 153 LYS N . 17595 1 1856 . 1 1 154 154 VAL H H 1 7.347 0.020 . 1 . . . . . 154 VAL H . 17595 1 1857 . 1 1 154 154 VAL HA H 1 4.911 0.020 . 1 . . . . . 154 VAL HA . 17595 1 1858 . 1 1 154 154 VAL HB H 1 1.494 0.020 . 1 . . . . . 154 VAL HB . 17595 1 1859 . 1 1 154 154 VAL HG11 H 1 0.545 0.020 . 1 . . . . . 154 VAL HG1 . 17595 1 1860 . 1 1 154 154 VAL HG12 H 1 0.545 0.020 . 1 . . . . . 154 VAL HG1 . 17595 1 1861 . 1 1 154 154 VAL HG13 H 1 0.545 0.020 . 1 . . . . . 154 VAL HG1 . 17595 1 1862 . 1 1 154 154 VAL HG21 H 1 0.437 0.020 . 1 . . . . . 154 VAL HG2 . 17595 1 1863 . 1 1 154 154 VAL HG22 H 1 0.437 0.020 . 1 . . . . . 154 VAL HG2 . 17595 1 1864 . 1 1 154 154 VAL HG23 H 1 0.437 0.020 . 1 . . . . . 154 VAL HG2 . 17595 1 1865 . 1 1 154 154 VAL C C 13 174.895 0.3 . 1 . . . . . 154 VAL C . 17595 1 1866 . 1 1 154 154 VAL CA C 13 59.905 0.3 . 1 . . . . . 154 VAL CA . 17595 1 1867 . 1 1 154 154 VAL CB C 13 32.838 0.3 . 1 . . . . . 154 VAL CB . 17595 1 1868 . 1 1 154 154 VAL CG1 C 13 22.853 0.3 . 1 . . . . . 154 VAL CG1 . 17595 1 1869 . 1 1 154 154 VAL CG2 C 13 20.434 0.3 . 1 . . . . . 154 VAL CG2 . 17595 1 1870 . 1 1 154 154 VAL N N 15 116.314 0.3 . 1 . . . . . 154 VAL N . 17595 1 1871 . 1 1 155 155 LYS H H 1 9.040 0.020 . 1 . . . . . 155 LYS H . 17595 1 1872 . 1 1 155 155 LYS HA H 1 4.972 0.020 . 1 . . . . . 155 LYS HA . 17595 1 1873 . 1 1 155 155 LYS HB2 H 1 1.824 0.020 . 1 . . . . . 155 LYS HB2 . 17595 1 1874 . 1 1 155 155 LYS HB3 H 1 1.824 0.020 . 1 . . . . . 155 LYS HB3 . 17595 1 1875 . 1 1 155 155 LYS HG2 H 1 1.440 0.020 . 2 . . . . . 155 LYS HG2 . 17595 1 1876 . 1 1 155 155 LYS HG3 H 1 1.344 0.020 . 2 . . . . . 155 LYS HG3 . 17595 1 1877 . 1 1 155 155 LYS HD2 H 1 1.677 0.020 . 1 . . . . . 155 LYS HD2 . 17595 1 1878 . 1 1 155 155 LYS HD3 H 1 1.677 0.020 . 1 . . . . . 155 LYS HD3 . 17595 1 1879 . 1 1 155 155 LYS HE2 H 1 2.994 0.020 . 1 . . . . . 155 LYS HE2 . 17595 1 1880 . 1 1 155 155 LYS HE3 H 1 2.994 0.020 . 1 . . . . . 155 LYS HE3 . 17595 1 1881 . 1 1 155 155 LYS C C 13 175.344 0.3 . 1 . . . . . 155 LYS C . 17595 1 1882 . 1 1 155 155 LYS CA C 13 53.849 0.3 . 1 . . . . . 155 LYS CA . 17595 1 1883 . 1 1 155 155 LYS CB C 13 36.887 0.3 . 1 . . . . . 155 LYS CB . 17595 1 1884 . 1 1 155 155 LYS CG C 13 24.042 0.3 . 1 . . . . . 155 LYS CG . 17595 1 1885 . 1 1 155 155 LYS CD C 13 29.408 0.3 . 1 . . . . . 155 LYS CD . 17595 1 1886 . 1 1 155 155 LYS CE C 13 42.265 0.3 . 1 . . . . . 155 LYS CE . 17595 1 1887 . 1 1 155 155 LYS N N 15 122.916 0.3 . 1 . . . . . 155 LYS N . 17595 1 1888 . 1 1 156 156 LEU H H 1 8.533 0.020 . 1 . . . . . 156 LEU H . 17595 1 1889 . 1 1 156 156 LEU HA H 1 4.225 0.020 . 1 . . . . . 156 LEU HA . 17595 1 1890 . 1 1 156 156 LEU HB2 H 1 1.543 0.020 . 2 . . . . . 156 LEU HB2 . 17595 1 1891 . 1 1 156 156 LEU HB3 H 1 1.488 0.020 . 2 . . . . . 156 LEU HB3 . 17595 1 1892 . 1 1 156 156 LEU HG H 1 0.766 0.020 . 1 . . . . . 156 LEU HG . 17595 1 1893 . 1 1 156 156 LEU C C 13 177.485 0.3 . 1 . . . . . 156 LEU C . 17595 1 1894 . 1 1 156 156 LEU CA C 13 55.602 0.3 . 1 . . . . . 156 LEU CA . 17595 1 1895 . 1 1 156 156 LEU CB C 13 43.045 0.3 . 1 . . . . . 156 LEU CB . 17595 1 1896 . 1 1 156 156 LEU CG C 13 24.740 0.3 . 1 . . . . . 156 LEU CG . 17595 1 1897 . 1 1 156 156 LEU CD1 C 13 27.434 0.3 . 1 . . . . . 156 LEU CD1 . 17595 1 1898 . 1 1 156 156 LEU N N 15 123.382 0.3 . 1 . . . . . 156 LEU N . 17595 1 1899 . 1 1 157 157 ILE H H 1 8.072 0.020 . 1 . . . . . 157 ILE H . 17595 1 1900 . 1 1 157 157 ILE HA H 1 4.095 0.020 . 1 . . . . . 157 ILE HA . 17595 1 1901 . 1 1 157 157 ILE HB H 1 1.478 0.020 . 1 . . . . . 157 ILE HB . 17595 1 1902 . 1 1 157 157 ILE HG12 H 1 1.337 0.020 . 2 . . . . . 157 ILE HG12 . 17595 1 1903 . 1 1 157 157 ILE HG13 H 1 0.912 0.020 . 2 . . . . . 157 ILE HG13 . 17595 1 1904 . 1 1 157 157 ILE HG21 H 1 0.902 0.020 . 1 . . . . . 157 ILE HG2 . 17595 1 1905 . 1 1 157 157 ILE HG22 H 1 0.902 0.020 . 1 . . . . . 157 ILE HG2 . 17595 1 1906 . 1 1 157 157 ILE HG23 H 1 0.902 0.020 . 1 . . . . . 157 ILE HG2 . 17595 1 1907 . 1 1 157 157 ILE HD11 H 1 0.721 0.020 . 1 . . . . . 157 ILE HD1 . 17595 1 1908 . 1 1 157 157 ILE HD12 H 1 0.721 0.020 . 1 . . . . . 157 ILE HD1 . 17595 1 1909 . 1 1 157 157 ILE HD13 H 1 0.721 0.020 . 1 . . . . . 157 ILE HD1 . 17595 1 1910 . 1 1 157 157 ILE C C 13 174.456 0.3 . 1 . . . . . 157 ILE C . 17595 1 1911 . 1 1 157 157 ILE CA C 13 60.026 0.3 . 1 . . . . . 157 ILE CA . 17595 1 1912 . 1 1 157 157 ILE CB C 13 39.263 0.3 . 1 . . . . . 157 ILE CB . 17595 1 1913 . 1 1 157 157 ILE CG1 C 13 29.028 0.3 . 1 . . . . . 157 ILE CG1 . 17595 1 1914 . 1 1 157 157 ILE CG2 C 13 16.640 0.3 . 1 . . . . . 157 ILE CG2 . 17595 1 1915 . 1 1 157 157 ILE CD1 C 13 13.947 0.3 . 1 . . . . . 157 ILE CD1 . 17595 1 1916 . 1 1 157 157 ILE N N 15 126.495 0.3 . 1 . . . . . 157 ILE N . 17595 1 1917 . 1 1 158 158 PRO HA H 1 4.375 0.020 . 1 . . . . . 158 PRO HA . 17595 1 1918 . 1 1 158 158 PRO HB2 H 1 2.237 0.020 . 2 . . . . . 158 PRO HB2 . 17595 1 1919 . 1 1 158 158 PRO HB3 H 1 2.067 0.020 . 2 . . . . . 158 PRO HB3 . 17595 1 1920 . 1 1 158 158 PRO HG2 H 1 2.072 0.020 . 2 . . . . . 158 PRO HG2 . 17595 1 1921 . 1 1 158 158 PRO HG3 H 1 1.993 0.020 . 2 . . . . . 158 PRO HG3 . 17595 1 1922 . 1 1 158 158 PRO HD2 H 1 3.956 0.020 . 2 . . . . . 158 PRO HD2 . 17595 1 1923 . 1 1 158 158 PRO HD3 H 1 3.668 0.020 . 2 . . . . . 158 PRO HD3 . 17595 1 1924 . 1 1 158 158 PRO C C 13 176.403 0.3 . 1 . . . . . 158 PRO C . 17595 1 1925 . 1 1 158 158 PRO CA C 13 62.954 0.3 . 1 . . . . . 158 PRO CA . 17595 1 1926 . 1 1 158 158 PRO CB C 13 32.052 0.3 . 1 . . . . . 158 PRO CB . 17595 1 1927 . 1 1 158 158 PRO CG C 13 27.308 0.3 . 1 . . . . . 158 PRO CG . 17595 1 1928 . 1 1 158 158 PRO CD C 13 51.105 0.3 . 1 . . . . . 158 PRO CD . 17595 1 1929 . 1 1 159 159 ARG H H 1 8.283 0.020 . 1 . . . . . 159 ARG H . 17595 1 1930 . 1 1 159 159 ARG HA H 1 4.319 0.020 . 1 . . . . . 159 ARG HA . 17595 1 1931 . 1 1 159 159 ARG HB2 H 1 1.799 0.020 . 1 . . . . . 159 ARG HB2 . 17595 1 1932 . 1 1 159 159 ARG HB3 H 1 1.799 0.020 . 1 . . . . . 159 ARG HB3 . 17595 1 1933 . 1 1 159 159 ARG C C 13 176.005 0.3 . 1 . . . . . 159 ARG C . 17595 1 1934 . 1 1 159 159 ARG CA C 13 55.871 0.3 . 1 . . . . . 159 ARG CA . 17595 1 1935 . 1 1 159 159 ARG CB C 13 31.192 0.3 . 1 . . . . . 159 ARG CB . 17595 1 1936 . 1 1 159 159 ARG CG C 13 26.999 0.3 . 1 . . . . . 159 ARG CG . 17595 1 1937 . 1 1 159 159 ARG CD C 13 43.408 0.3 . 1 . . . . . 159 ARG CD . 17595 1 1938 . 1 1 159 159 ARG N N 15 121.967 0.3 . 1 . . . . . 159 ARG N . 17595 1 1939 . 1 1 160 160 LYS H H 1 8.315 0.020 . 1 . . . . . 160 LYS H . 17595 1 1940 . 1 1 160 160 LYS HA H 1 4.342 0.020 . 1 . . . . . 160 LYS HA . 17595 1 1941 . 1 1 160 160 LYS HB2 H 1 1.823 0.020 . 2 . . . . . 160 LYS HB2 . 17595 1 1942 . 1 1 160 160 LYS HB3 H 1 1.789 0.020 . 2 . . . . . 160 LYS HB3 . 17595 1 1943 . 1 1 160 160 LYS HG2 H 1 1.466 0.020 . 2 . . . . . 160 LYS HG2 . 17595 1 1944 . 1 1 160 160 LYS HG3 H 1 1.433 0.020 . 2 . . . . . 160 LYS HG3 . 17595 1 1945 . 1 1 160 160 LYS HD2 H 1 1.711 0.020 . 1 . . . . . 160 LYS HD2 . 17595 1 1946 . 1 1 160 160 LYS HD3 H 1 1.711 0.020 . 1 . . . . . 160 LYS HD3 . 17595 1 1947 . 1 1 160 160 LYS HE2 H 1 2.986 0.020 . 1 . . . . . 160 LYS HE2 . 17595 1 1948 . 1 1 160 160 LYS HE3 H 1 2.986 0.020 . 1 . . . . . 160 LYS HE3 . 17595 1 1949 . 1 1 160 160 LYS C C 13 175.350 0.3 . 1 . . . . . 160 LYS C . 17595 1 1950 . 1 1 160 160 LYS CA C 13 56.182 0.3 . 1 . . . . . 160 LYS CA . 17595 1 1951 . 1 1 160 160 LYS CB C 13 33.099 0.3 . 1 . . . . . 160 LYS CB . 17595 1 1952 . 1 1 160 160 LYS CG C 13 24.772 0.3 . 1 . . . . . 160 LYS CG . 17595 1 1953 . 1 1 160 160 LYS CD C 13 29.056 0.3 . 1 . . . . . 160 LYS CD . 17595 1 1954 . 1 1 160 160 LYS CE C 13 41.846 0.3 . 1 . . . . . 160 LYS CE . 17595 1 1955 . 1 1 160 160 LYS N N 15 123.417 0.3 . 1 . . . . . 160 LYS N . 17595 1 1956 . 1 1 161 161 ARG H H 1 7.953 0.020 . 1 . . . . . 161 ARG H . 17595 1 1957 . 1 1 161 161 ARG HA H 1 4.155 0.020 . 1 . . . . . 161 ARG HA . 17595 1 1958 . 1 1 161 161 ARG C C 13 180.700 0.3 . 1 . . . . . 161 ARG C . 17595 1 1959 . 1 1 161 161 ARG CA C 13 57.479 0.3 . 1 . . . . . 161 ARG CA . 17595 1 1960 . 1 1 161 161 ARG CB C 13 31.456 0.3 . 1 . . . . . 161 ARG CB . 17595 1 1961 . 1 1 161 161 ARG N N 15 127.830 0.3 . 1 . . . . . 161 ARG N . 17595 1 stop_ save_