data_52910 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52910 _Entry.Title ; 1H, 13C, 15N, and 31P resonance assignments of the Q61R mutant of NRAS bound to GTP. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-02-14 _Entry.Accession_date 2025-02-14 _Entry.Last_release_date 2025-02-14 _Entry.Original_release_date 2025-02-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Alok Sharma . K. . . 52910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 725 52910 '15N chemical shifts' 188 52910 '1H chemical shifts' 1162 52910 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-15 . original BMRB . 52910 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52910 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40316884 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR 1H, 13C, and 15N resonance assignments of the oncogenic Q61R variant of human NRAS in the active, GTP-bound conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 19 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 195 _Citation.Page_last 203 _Citation.Year 2025 _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 Alok Sharma A. K. . . 52910 1 2 Marco Tonelli M. . . . 52910 1 3 Marcin Dyba M. . . . 52910 1 4 William Gillette W. K. . . 52910 1 5 Dominic Esposito D. . . . 52910 1 6 Dwight Nissley D. V. . . 52910 1 7 Frank McCormick F. . . . 52910 1 8 Anna Maciag A. E. . . 52910 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cancer, GTPase NRAS, GTP, HSQC, Q61R mutation, melanoma, Secondary structure' 52910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52910 _Assembly.ID 1 _Assembly.Name 'Q61R NRAS in complex with Mg2+ ion and GTP' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'GTPase NRAS' 1 $entity_1 . . yes native no no . . . 52910 1 2 Mg2+ 2 $entity_MG . . no native no no . . . 52910 1 3 GTP 3 $entity_GTP . . no native no no . . . 52910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMTEYKLVVVGAGGVGKSAL TIQLIQNHFVDEYDPTIEDS YRKQVVIDGETCLLDILDTA GREEYSAMRDQYMRTGEGFL CVFAINNSKSFADINLYREQ IKRVKDSDDVPMVLVGNKCD LPTRTVDTKQAHELAKSYGI PFIETSAKTRQGVEDAFYTL VREIRQYRMK ; _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 yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 0 GLY . 52910 1 2 1 MET . 52910 1 3 2 THR . 52910 1 4 3 GLU . 52910 1 5 4 TYR . 52910 1 6 5 LYS . 52910 1 7 6 LEU . 52910 1 8 7 VAL . 52910 1 9 8 VAL . 52910 1 10 9 VAL . 52910 1 11 10 GLY . 52910 1 12 11 ALA . 52910 1 13 12 GLY . 52910 1 14 13 GLY . 52910 1 15 14 VAL . 52910 1 16 15 GLY . 52910 1 17 16 LYS . 52910 1 18 17 SER . 52910 1 19 18 ALA . 52910 1 20 19 LEU . 52910 1 21 20 THR . 52910 1 22 21 ILE . 52910 1 23 22 GLN . 52910 1 24 23 LEU . 52910 1 25 24 ILE . 52910 1 26 25 GLN . 52910 1 27 26 ASN . 52910 1 28 27 HIS . 52910 1 29 28 PHE . 52910 1 30 29 VAL . 52910 1 31 30 ASP . 52910 1 32 31 GLU . 52910 1 33 32 TYR . 52910 1 34 33 ASP . 52910 1 35 34 PRO . 52910 1 36 35 THR . 52910 1 37 36 ILE . 52910 1 38 37 GLU . 52910 1 39 38 ASP . 52910 1 40 39 SER . 52910 1 41 40 TYR . 52910 1 42 41 ARG . 52910 1 43 42 LYS . 52910 1 44 43 GLN . 52910 1 45 44 VAL . 52910 1 46 45 VAL . 52910 1 47 46 ILE . 52910 1 48 47 ASP . 52910 1 49 48 GLY . 52910 1 50 49 GLU . 52910 1 51 50 THR . 52910 1 52 51 CYS . 52910 1 53 52 LEU . 52910 1 54 53 LEU . 52910 1 55 54 ASP . 52910 1 56 55 ILE . 52910 1 57 56 LEU . 52910 1 58 57 ASP . 52910 1 59 58 THR . 52910 1 60 59 ALA . 52910 1 61 60 GLY . 52910 1 62 61 ARG . 52910 1 63 62 GLU . 52910 1 64 63 GLU . 52910 1 65 64 TYR . 52910 1 66 65 SER . 52910 1 67 66 ALA . 52910 1 68 67 MET . 52910 1 69 68 ARG . 52910 1 70 69 ASP . 52910 1 71 70 GLN . 52910 1 72 71 TYR . 52910 1 73 72 MET . 52910 1 74 73 ARG . 52910 1 75 74 THR . 52910 1 76 75 GLY . 52910 1 77 76 GLU . 52910 1 78 77 GLY . 52910 1 79 78 PHE . 52910 1 80 79 LEU . 52910 1 81 80 CYS . 52910 1 82 81 VAL . 52910 1 83 82 PHE . 52910 1 84 83 ALA . 52910 1 85 84 ILE . 52910 1 86 85 ASN . 52910 1 87 86 ASN . 52910 1 88 87 SER . 52910 1 89 88 LYS . 52910 1 90 89 SER . 52910 1 91 90 PHE . 52910 1 92 91 ALA . 52910 1 93 92 ASP . 52910 1 94 93 ILE . 52910 1 95 94 ASN . 52910 1 96 95 LEU . 52910 1 97 96 TYR . 52910 1 98 97 ARG . 52910 1 99 98 GLU . 52910 1 100 99 GLN . 52910 1 101 100 ILE . 52910 1 102 101 LYS . 52910 1 103 102 ARG . 52910 1 104 103 VAL . 52910 1 105 104 LYS . 52910 1 106 105 ASP . 52910 1 107 106 SER . 52910 1 108 107 ASP . 52910 1 109 108 ASP . 52910 1 110 109 VAL . 52910 1 111 110 PRO . 52910 1 112 111 MET . 52910 1 113 112 VAL . 52910 1 114 113 LEU . 52910 1 115 114 VAL . 52910 1 116 115 GLY . 52910 1 117 116 ASN . 52910 1 118 117 LYS . 52910 1 119 118 CYS . 52910 1 120 119 ASP . 52910 1 121 120 LEU . 52910 1 122 121 PRO . 52910 1 123 122 THR . 52910 1 124 123 ARG . 52910 1 125 124 THR . 52910 1 126 125 VAL . 52910 1 127 126 ASP . 52910 1 128 127 THR . 52910 1 129 128 LYS . 52910 1 130 129 GLN . 52910 1 131 130 ALA . 52910 1 132 131 HIS . 52910 1 133 132 GLU . 52910 1 134 133 LEU . 52910 1 135 134 ALA . 52910 1 136 135 LYS . 52910 1 137 136 SER . 52910 1 138 137 TYR . 52910 1 139 138 GLY . 52910 1 140 139 ILE . 52910 1 141 140 PRO . 52910 1 142 141 PHE . 52910 1 143 142 ILE . 52910 1 144 143 GLU . 52910 1 145 144 THR . 52910 1 146 145 SER . 52910 1 147 146 ALA . 52910 1 148 147 LYS . 52910 1 149 148 THR . 52910 1 150 149 ARG . 52910 1 151 150 GLN . 52910 1 152 151 GLY . 52910 1 153 152 VAL . 52910 1 154 153 GLU . 52910 1 155 154 ASP . 52910 1 156 155 ALA . 52910 1 157 156 PHE . 52910 1 158 157 TYR . 52910 1 159 158 THR . 52910 1 160 159 LEU . 52910 1 161 160 VAL . 52910 1 162 161 ARG . 52910 1 163 162 GLU . 52910 1 164 163 ILE . 52910 1 165 164 ARG . 52910 1 166 165 GLN . 52910 1 167 166 TYR . 52910 1 168 167 ARG . 52910 1 169 168 MET . 52910 1 170 169 LYS . 52910 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52910 1 . MET 2 2 52910 1 . THR 3 3 52910 1 . GLU 4 4 52910 1 . TYR 5 5 52910 1 . LYS 6 6 52910 1 . LEU 7 7 52910 1 . VAL 8 8 52910 1 . VAL 9 9 52910 1 . VAL 10 10 52910 1 . GLY 11 11 52910 1 . ALA 12 12 52910 1 . GLY 13 13 52910 1 . GLY 14 14 52910 1 . VAL 15 15 52910 1 . GLY 16 16 52910 1 . LYS 17 17 52910 1 . SER 18 18 52910 1 . ALA 19 19 52910 1 . LEU 20 20 52910 1 . THR 21 21 52910 1 . ILE 22 22 52910 1 . GLN 23 23 52910 1 . LEU 24 24 52910 1 . ILE 25 25 52910 1 . GLN 26 26 52910 1 . ASN 27 27 52910 1 . HIS 28 28 52910 1 . PHE 29 29 52910 1 . VAL 30 30 52910 1 . ASP 31 31 52910 1 . GLU 32 32 52910 1 . TYR 33 33 52910 1 . ASP 34 34 52910 1 . PRO 35 35 52910 1 . THR 36 36 52910 1 . ILE 37 37 52910 1 . GLU 38 38 52910 1 . ASP 39 39 52910 1 . SER 40 40 52910 1 . TYR 41 41 52910 1 . ARG 42 42 52910 1 . LYS 43 43 52910 1 . GLN 44 44 52910 1 . VAL 45 45 52910 1 . VAL 46 46 52910 1 . ILE 47 47 52910 1 . ASP 48 48 52910 1 . GLY 49 49 52910 1 . GLU 50 50 52910 1 . THR 51 51 52910 1 . CYS 52 52 52910 1 . LEU 53 53 52910 1 . LEU 54 54 52910 1 . ASP 55 55 52910 1 . ILE 56 56 52910 1 . LEU 57 57 52910 1 . ASP 58 58 52910 1 . THR 59 59 52910 1 . ALA 60 60 52910 1 . GLY 61 61 52910 1 . ARG 62 62 52910 1 . GLU 63 63 52910 1 . GLU 64 64 52910 1 . TYR 65 65 52910 1 . SER 66 66 52910 1 . ALA 67 67 52910 1 . MET 68 68 52910 1 . ARG 69 69 52910 1 . ASP 70 70 52910 1 . GLN 71 71 52910 1 . TYR 72 72 52910 1 . MET 73 73 52910 1 . ARG 74 74 52910 1 . THR 75 75 52910 1 . GLY 76 76 52910 1 . GLU 77 77 52910 1 . GLY 78 78 52910 1 . PHE 79 79 52910 1 . LEU 80 80 52910 1 . CYS 81 81 52910 1 . VAL 82 82 52910 1 . PHE 83 83 52910 1 . ALA 84 84 52910 1 . ILE 85 85 52910 1 . ASN 86 86 52910 1 . ASN 87 87 52910 1 . SER 88 88 52910 1 . LYS 89 89 52910 1 . SER 90 90 52910 1 . PHE 91 91 52910 1 . ALA 92 92 52910 1 . ASP 93 93 52910 1 . ILE 94 94 52910 1 . ASN 95 95 52910 1 . LEU 96 96 52910 1 . TYR 97 97 52910 1 . ARG 98 98 52910 1 . GLU 99 99 52910 1 . GLN 100 100 52910 1 . ILE 101 101 52910 1 . LYS 102 102 52910 1 . ARG 103 103 52910 1 . VAL 104 104 52910 1 . LYS 105 105 52910 1 . ASP 106 106 52910 1 . SER 107 107 52910 1 . ASP 108 108 52910 1 . ASP 109 109 52910 1 . VAL 110 110 52910 1 . PRO 111 111 52910 1 . MET 112 112 52910 1 . VAL 113 113 52910 1 . LEU 114 114 52910 1 . VAL 115 115 52910 1 . GLY 116 116 52910 1 . ASN 117 117 52910 1 . LYS 118 118 52910 1 . CYS 119 119 52910 1 . ASP 120 120 52910 1 . LEU 121 121 52910 1 . PRO 122 122 52910 1 . THR 123 123 52910 1 . ARG 124 124 52910 1 . THR 125 125 52910 1 . VAL 126 126 52910 1 . ASP 127 127 52910 1 . THR 128 128 52910 1 . LYS 129 129 52910 1 . GLN 130 130 52910 1 . ALA 131 131 52910 1 . HIS 132 132 52910 1 . GLU 133 133 52910 1 . LEU 134 134 52910 1 . ALA 135 135 52910 1 . LYS 136 136 52910 1 . SER 137 137 52910 1 . TYR 138 138 52910 1 . GLY 139 139 52910 1 . ILE 140 140 52910 1 . PRO 141 141 52910 1 . PHE 142 142 52910 1 . ILE 143 143 52910 1 . GLU 144 144 52910 1 . THR 145 145 52910 1 . SER 146 146 52910 1 . ALA 147 147 52910 1 . LYS 148 148 52910 1 . THR 149 149 52910 1 . ARG 150 150 52910 1 . GLN 151 151 52910 1 . GLY 152 152 52910 1 . VAL 153 153 52910 1 . GLU 154 154 52910 1 . ASP 155 155 52910 1 . ALA 156 156 52910 1 . PHE 157 157 52910 1 . TYR 158 158 52910 1 . THR 159 159 52910 1 . LEU 160 160 52910 1 . VAL 161 161 52910 1 . ARG 162 162 52910 1 . GLU 163 163 52910 1 . ILE 164 164 52910 1 . ARG 165 165 52910 1 . GLN 166 166 52910 1 . TYR 167 167 52910 1 . ARG 168 168 52910 1 . MET 169 169 52910 1 . LYS 170 170 52910 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 52910 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 52910 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 52910 2 MG 'Three letter code' 52910 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 52910 2 stop_ save_ save_entity_GTP _Entity.Sf_category entity _Entity.Sf_framecode entity_GTP _Entity.Entry_ID 52910 _Entity.ID 3 _Entity.BMRB_code GTP _Entity.Name entity_GTP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GTP _Entity.Nonpolymer_comp_label $chem_comp_GTP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 523.180 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 52910 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-TRIPHOSPHATE BMRB 52910 3 GTP 'Three letter code' 52910 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GTP $chem_comp_GTP 52910 3 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52910 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52910 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52910 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Vibrio Natriegens' . . . Vibrio Natriegens . . . plasmid . . pDest-566 . . 'Entry clone contains His6-MBP-TEV-NRS' 52910 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 52910 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag no _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 Mg _Chem_comp.Formula_weight 24.305 _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 PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 52910 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 52910 MG [Mg++] SMILES CACTVS 3.341 52910 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 52910 MG [Mg+2] SMILES ACDLabs 10.04 52910 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 52910 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52910 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 52910 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52910 MG 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 MG MG MG MG . MG . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52910 MG stop_ save_ save_chem_comp_GTP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GTP _Chem_comp.Entry_ID 52910 _Chem_comp.ID GTP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-TRIPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GTP _Chem_comp.PDB_code GTP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GTP _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H16 N5 O14 P3' _Chem_comp.Formula_weight 523.180 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1QRA _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 52910 GTP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.370 52910 GTP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.370 52910 GTP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 52910 GTP XKMLYUALXHKNFT-UUOKFMHZSA-N InChIKey InChI 1.03 52910 GTP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 52910 GTP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 52910 GTP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ; [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 52910 GTP "guanosine 5'-(tetrahydrogen triphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 52910 GTP 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 PG PG PG PG . P . . N 0 . . . 1 N N . . . . 4.566 . 31.391 . 21.635 . -6.030 -2.367 0.637 1 . 52910 GTP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 4.613 . 31.907 . 23.069 . -7.326 -1.996 0.026 2 . 52910 GTP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 3.892 . 32.319 . 20.631 . -6.285 -2.982 2.103 3 . 52910 GTP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 4.143 . 30.012 . 21.613 . -5.296 -3.463 -0.286 4 . 52910 GTP O3B O3B O3B O3B . O . . N 0 . . . 1 N N . . . . 6.160 . 31.360 . 21.228 . -5.101 -1.058 0.758 5 . 52910 GTP PB PB PB PB . P . . N 0 . . . 1 N N . . . . 6.877 . 31.202 . 19.745 . -4.818 0.206 -0.199 6 . 52910 GTP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 7.079 . 29.709 . 19.473 . -4.732 -0.250 -1.605 7 . 52910 GTP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 6.125 . 31.970 . 18.749 . -6.017 1.269 -0.052 8 . 52910 GTP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 8.251 . 31.890 . 20.003 . -3.429 0.900 0.226 9 . 52910 GTP PA PA PA PA . P . . N 0 . . . 1 N N . . . . 8.846 . 33.261 . 19.411 . -2.449 1.965 -0.479 10 . 52910 GTP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 8.888 . 33.256 . 17.957 . -2.350 1.662 -1.925 11 . 52910 GTP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 8.105 . 34.398 . 20.129 . -3.040 3.450 -0.282 12 . 52910 GTP O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 10.430 . 33.153 . 19.900 . -0.988 1.876 0.190 13 . 52910 GTP C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 10.549 . 33.044 . 21.378 . 0.134 2.622 -0.287 14 . 52910 GTP C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 12.046 . 33.618 . 21.474 . 1.360 2.304 0.570 15 . 52910 GTP O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 13.052 . 32.830 . 20.818 . 1.749 0.933 0.378 16 . 52910 GTP C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 12.307 . 34.969 . 21.057 . 2.548 3.182 0.132 17 . 52910 GTP O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 13.109 . 35.672 . 21.971 . 2.994 3.997 1.218 18 . 52910 GTP C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 12.839 . 34.971 . 19.593 . 3.645 2.166 -0.269 19 . 52910 GTP O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 13.672 . 35.961 . 19.355 . 4.929 2.593 0.190 20 . 52910 GTP C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 13.846 . 33.622 . 19.927 . 3.188 0.886 0.476 21 . 52910 GTP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 14.001 . 32.833 . 18.649 . 3.711 -0.311 -0.188 22 . 52910 GTP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 12.934 . 32.452 . 17.848 . 3.094 -1.021 -1.176 23 . 52910 GTP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 13.640 . 31.798 . 16.899 . 3.843 -2.023 -1.533 24 . 52910 GTP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 15.029 . 31.889 . 17.001 . 4.981 -2.017 -0.798 25 . 52910 GTP C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 15.899 . 31.394 . 16.238 . 6.129 -2.842 -0.753 26 . 52910 GTP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 15.982 . 30.680 . 15.191 . 6.235 -3.807 -1.491 27 . 52910 GTP N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 17.274 . 31.628 . 16.800 . 7.106 -2.535 0.129 28 . 52910 GTP C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 17.304 . 32.295 . 17.896 . 6.978 -1.454 0.950 29 . 52910 GTP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 18.677 . 32.450 . 18.475 . 7.986 -1.165 1.835 30 . 52910 GTP N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 16.384 . 32.736 . 18.739 . 5.916 -0.679 0.917 31 . 52910 GTP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 15.218 . 32.517 . 18.135 . 4.911 -0.918 0.066 32 . 52910 GTP HOG2 HOG2 HOG2 HOG2 . H . . N 0 . . . 0 N N . . . . 3.595 . 33.105 . 21.075 . -6.838 -3.775 2.106 33 . 52910 GTP HOG3 HOG3 HOG3 HOG3 . H . . N 0 . . . 0 N N . . . . 3.982 . 29.715 . 22.501 . -4.439 -3.753 0.055 34 . 52910 GTP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 N N . . . . 5.858 . 31.396 . 18.041 . -6.132 1.611 0.846 35 . 52910 GTP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 N N . . . . 7.743 . 34.996 . 19.486 . -3.133 3.717 0.643 36 . 52910 GTP H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 9.819 . 33.672 . 21.910 . 0.335 2.352 -1.324 37 . 52910 GTP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 10.469 . 32.007 . 21.735 . -0.086 3.688 -0.226 38 . 52910 GTP H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 12.283 . 33.581 . 22.548 . 1.133 2.480 1.621 39 . 52910 GTP H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 11.335 . 35.482 . 21.016 . 2.270 3.803 -0.720 40 . 52910 GTP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 N Y . . . . 13.253 . 36.555 . 21.653 . 3.741 4.571 0.998 41 . 52910 GTP H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 12.075 . 34.730 . 18.840 . 3.652 2.007 -1.347 42 . 52910 GTP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 N N . . . . 13.966 . 35.918 . 18.453 . 5.218 3.438 -0.180 43 . 52910 GTP H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 14.805 . 33.958 . 20.347 . 3.503 0.916 1.519 44 . 52910 GTP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 11.873 . 32.624 . 17.951 . 2.128 -0.786 -1.599 45 . 52910 GTP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 18.102 . 31.290 . 16.354 . 7.903 -3.086 0.179 46 . 52910 GTP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 N N . . . . 18.794 . 32.845 . 19.386 . 8.776 -1.728 1.870 47 . 52910 GTP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 N N . . . . 19.477 . 32.159 . 17.950 . 7.909 -0.399 2.425 48 . 52910 GTP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G N N 1 . 52910 GTP 2 . SING PG O2G N N 2 . 52910 GTP 3 . SING PG O3G N N 3 . 52910 GTP 4 . SING PG O3B N N 4 . 52910 GTP 5 . SING O2G HOG2 N N 5 . 52910 GTP 6 . SING O3G HOG3 N N 6 . 52910 GTP 7 . SING O3B PB N N 7 . 52910 GTP 8 . DOUB PB O1B N N 8 . 52910 GTP 9 . SING PB O2B N N 9 . 52910 GTP 10 . SING PB O3A N N 10 . 52910 GTP 11 . SING O2B HOB2 N N 11 . 52910 GTP 12 . SING O3A PA N N 12 . 52910 GTP 13 . DOUB PA O1A N N 13 . 52910 GTP 14 . SING PA O2A N N 14 . 52910 GTP 15 . SING PA O5' N N 15 . 52910 GTP 16 . SING O2A HOA2 N N 16 . 52910 GTP 17 . SING O5' C5' N N 17 . 52910 GTP 18 . SING C5' C4' N N 18 . 52910 GTP 19 . SING C5' H5' N N 19 . 52910 GTP 20 . SING C5' H5'' N N 20 . 52910 GTP 21 . SING C4' O4' N N 21 . 52910 GTP 22 . SING C4' C3' N N 22 . 52910 GTP 23 . SING C4' H4' N N 23 . 52910 GTP 24 . SING O4' C1' N N 24 . 52910 GTP 25 . SING C3' O3' N N 25 . 52910 GTP 26 . SING C3' C2' N N 26 . 52910 GTP 27 . SING C3' H3' N N 27 . 52910 GTP 28 . SING O3' HO3' N N 28 . 52910 GTP 29 . SING C2' O2' N N 29 . 52910 GTP 30 . SING C2' C1' N N 30 . 52910 GTP 31 . SING C2' H2' N N 31 . 52910 GTP 32 . SING O2' HO2' N N 32 . 52910 GTP 33 . SING C1' N9 N N 33 . 52910 GTP 34 . SING C1' H1' N N 34 . 52910 GTP 35 . SING N9 C8 Y N 35 . 52910 GTP 36 . SING N9 C4 Y N 36 . 52910 GTP 37 . DOUB C8 N7 Y N 37 . 52910 GTP 38 . SING C8 H8 N N 38 . 52910 GTP 39 . SING N7 C5 Y N 39 . 52910 GTP 40 . SING C5 C6 N N 40 . 52910 GTP 41 . DOUB C5 C4 Y N 41 . 52910 GTP 42 . DOUB C6 O6 N N 42 . 52910 GTP 43 . SING C6 N1 N N 43 . 52910 GTP 44 . SING N1 C2 N N 44 . 52910 GTP 45 . SING N1 HN1 N N 45 . 52910 GTP 46 . SING C2 N2 N N 46 . 52910 GTP 47 . DOUB C2 N3 N N 47 . 52910 GTP 48 . SING N2 HN21 N N 48 . 52910 GTP 49 . SING N2 HN22 N N 49 . 52910 GTP 50 . SING N3 C4 N N 50 . 52910 GTP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52910 _Sample.ID 1 _Sample.Name '13C, 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Q61R NRAS' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 52910 1 2 GTP 'natural abundance' . . 3 $entity_GTP . . 0.8 . . mM 0.05 . . . 52910 1 3 MgCl2 'natural abundance' . . 2 $entity_MG . . 0.8 . . mM 0.05 . . . 52910 1 4 TCEP [U-2H] . . . . . . 1 . . mM 0.03 . . . 52910 1 5 DSS 'natural abundance' . . . . . . 250 . . uM 5 . . . 52910 1 6 MES [U-2H] . . . . . . 20 . . mM 0.5 . . . 52910 1 7 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 3 . . . 52910 1 8 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.3 . . . 52910 1 9 'sodium azide' 'natural abundance' . . . . . . 1 . . mM 0.02 . . . 52910 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52910 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room Temperature Sample' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.003 M 52910 1 pH 6.5 0.02 pH 52910 1 pressure 1 . atm 52910 1 temperature 298 0.5 K 52910 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52910 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52910 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52910 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52910 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52910 _Software.ID 3 _Software.Type . _Software.Name 'CcpNMR Analysis' _Software.Version v2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52910 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52910 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Peak Table preparation' . 52910 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 52910 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'Secondary structure determination' . 52910 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD equipped with 5-mm cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52910 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III HD equipped with 5-mm cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52910 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker Avance III HD equipped with 5-mm cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52910 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52910 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 3 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 4 '2D 1H-13C HSQC aromatic' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 6 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 7 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 8 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 9 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 10 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52910 1 11 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52910 1 12 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52910 1 13 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52910 1 14 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52910 1 15 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52910 1 16 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52910 1 17 '3D 1H-13C NOESY aliphatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52910 1 18 '3D 1H-13C NOESY aromatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52910 1 19 '3D CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52910 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52910 _Computing_platform.ID 1 _Computing_platform.Name 'Standalone linux workstation running CentOS v7' _Computing_platform.Reference_ID . _Computing_platform.Site 'Frederick National Laboratory for Cancer Research' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52910 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CS_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52910 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52910 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 52910 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 52910 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52910 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CS_NRASQ61R _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 52910 1 2 '2D 1H-15N HSQC' . . . 52910 1 3 '2D 1H-13C HSQC aliphatic' . . . 52910 1 4 '2D 1H-13C HSQC aromatic' . . . 52910 1 5 '3D CBCA(CO)NH' . . . 52910 1 6 '3D HNCACB' . . . 52910 1 7 '3D HNCO' . . . 52910 1 8 '3D HN(CA)CO' . . . 52910 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52910 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 MET H H 1 8.585 0.020 . 1 . . . . . 1 MET H . 52910 1 2 . 1 . 1 2 2 MET HA H 1 4.585 0.020 . 1 . . . . . 1 MET HA . 52910 1 3 . 1 . 1 2 2 MET HB2 H 1 1.906 0.020 . 2 . . . . . 1 MET HB2 . 52910 1 4 . 1 . 1 2 2 MET HB3 H 1 1.966 0.020 . 2 . . . . . 1 MET HB3 . 52910 1 5 . 1 . 1 2 2 MET HG2 H 1 2.401 0.020 . 2 . . . . . 1 MET HG2 . 52910 1 6 . 1 . 1 2 2 MET HG3 H 1 2.437 0.020 . 2 . . . . . 1 MET HG3 . 52910 1 7 . 1 . 1 2 2 MET HE1 H 1 1.999 0.020 . 1 . . . . . 1 MET HE1 . 52910 1 8 . 1 . 1 2 2 MET HE2 H 1 1.999 0.020 . 1 . . . . . 1 MET HE2 . 52910 1 9 . 1 . 1 2 2 MET HE3 H 1 1.999 0.020 . 1 . . . . . 1 MET HE3 . 52910 1 10 . 1 . 1 2 2 MET C C 13 175.561 0.400 . 1 . . . . . 1 MET C . 52910 1 11 . 1 . 1 2 2 MET CA C 13 55.591 0.400 . 1 . . . . . 1 MET CA . 52910 1 12 . 1 . 1 2 2 MET CB C 13 34.190 0.400 . 1 . . . . . 1 MET CB . 52910 1 13 . 1 . 1 2 2 MET CG C 13 31.428 0.400 . 1 . . . . . 1 MET CG . 52910 1 14 . 1 . 1 2 2 MET CE C 13 16.971 0.400 . 1 . . . . . 1 MET CE . 52910 1 15 . 1 . 1 2 2 MET N N 15 120.463 0.400 . 1 . . . . . 1 MET N . 52910 1 16 . 1 . 1 3 3 THR H H 1 8.631 0.020 . 1 . . . . . 2 THR H . 52910 1 17 . 1 . 1 3 3 THR HA H 1 4.122 0.020 . 1 . . . . . 2 THR HA . 52910 1 18 . 1 . 1 3 3 THR HB H 1 3.950 0.020 . 1 . . . . . 2 THR HB . 52910 1 19 . 1 . 1 3 3 THR HG21 H 1 0.909 0.020 . 1 . . . . . 2 THR HG21 . 52910 1 20 . 1 . 1 3 3 THR HG22 H 1 0.909 0.020 . 1 . . . . . 2 THR HG22 . 52910 1 21 . 1 . 1 3 3 THR HG23 H 1 0.909 0.020 . 1 . . . . . 2 THR HG23 . 52910 1 22 . 1 . 1 3 3 THR C C 13 172.325 0.400 . 1 . . . . . 2 THR C . 52910 1 23 . 1 . 1 3 3 THR CA C 13 63.111 0.400 . 1 . . . . . 2 THR CA . 52910 1 24 . 1 . 1 3 3 THR CB C 13 69.518 0.400 . 1 . . . . . 2 THR CB . 52910 1 25 . 1 . 1 3 3 THR CG2 C 13 22.178 0.400 . 1 . . . . . 2 THR CG2 . 52910 1 26 . 1 . 1 3 3 THR N N 15 122.041 0.400 . 1 . . . . . 2 THR N . 52910 1 27 . 1 . 1 4 4 GLU H H 1 8.437 0.020 . 1 . . . . . 3 GLU H . 52910 1 28 . 1 . 1 4 4 GLU HA H 1 5.354 0.020 . 1 . . . . . 3 GLU HA . 52910 1 29 . 1 . 1 4 4 GLU HB2 H 1 1.930 0.020 . 2 . . . . . 3 GLU HB2 . 52910 1 30 . 1 . 1 4 4 GLU HB3 H 1 1.821 0.020 . 2 . . . . . 3 GLU HB3 . 52910 1 31 . 1 . 1 4 4 GLU HG2 H 1 2.096 0.020 . 2 . . . . . 3 GLU HG2 . 52910 1 32 . 1 . 1 4 4 GLU HG3 H 1 2.256 0.020 . 2 . . . . . 3 GLU HG3 . 52910 1 33 . 1 . 1 4 4 GLU C C 13 175.554 0.400 . 1 . . . . . 3 GLU C . 52910 1 34 . 1 . 1 4 4 GLU CA C 13 54.583 0.400 . 1 . . . . . 3 GLU CA . 52910 1 35 . 1 . 1 4 4 GLU CB C 13 32.120 0.400 . 1 . . . . . 3 GLU CB . 52910 1 36 . 1 . 1 4 4 GLU CG C 13 36.164 0.400 . 1 . . . . . 3 GLU CG . 52910 1 37 . 1 . 1 4 4 GLU N N 15 126.578 0.400 . 1 . . . . . 3 GLU N . 52910 1 38 . 1 . 1 5 5 TYR H H 1 8.646 0.020 . 1 . . . . . 4 TYR H . 52910 1 39 . 1 . 1 5 5 TYR HA H 1 4.799 0.020 . 1 . . . . . 4 TYR HA . 52910 1 40 . 1 . 1 5 5 TYR HB2 H 1 2.678 0.020 . 2 . . . . . 4 TYR HB2 . 52910 1 41 . 1 . 1 5 5 TYR HD1 H 1 6.856 0.020 . 1 . . . . . 4 TYR HD1 . 52910 1 42 . 1 . 1 5 5 TYR HD2 H 1 6.856 0.020 . 1 . . . . . 4 TYR HD2 . 52910 1 43 . 1 . 1 5 5 TYR HE1 H 1 6.563 0.020 . 1 . . . . . 4 TYR HE1 . 52910 1 44 . 1 . 1 5 5 TYR HE2 H 1 6.563 0.020 . 1 . . . . . 4 TYR HE2 . 52910 1 45 . 1 . 1 5 5 TYR C C 13 174.377 0.400 . 1 . . . . . 4 TYR C . 52910 1 46 . 1 . 1 5 5 TYR CA C 13 57.452 0.400 . 1 . . . . . 4 TYR CA . 52910 1 47 . 1 . 1 5 5 TYR CB C 13 42.263 0.400 . 1 . . . . . 4 TYR CB . 52910 1 48 . 1 . 1 5 5 TYR CD2 C 13 132.560 0.400 . 3 . . . . . 4 TYR CD2 . 52910 1 49 . 1 . 1 5 5 TYR CE2 C 13 118.644 0.400 . 3 . . . . . 4 TYR CE2 . 52910 1 50 . 1 . 1 5 5 TYR N N 15 122.048 0.400 . 1 . . . . . 4 TYR N . 52910 1 51 . 1 . 1 6 6 LYS H H 1 9.158 0.020 . 1 . . . . . 5 LYS H . 52910 1 52 . 1 . 1 6 6 LYS HA H 1 5.144 0.020 . 1 . . . . . 5 LYS HA . 52910 1 53 . 1 . 1 6 6 LYS HB2 H 1 1.856 0.020 . 2 . . . . . 5 LYS HB2 . 52910 1 54 . 1 . 1 6 6 LYS HB3 H 1 1.937 0.020 . 2 . . . . . 5 LYS HB3 . 52910 1 55 . 1 . 1 6 6 LYS HG2 H 1 1.408 0.020 . 2 . . . . . 5 LYS HG2 . 52910 1 56 . 1 . 1 6 6 LYS HG3 H 1 1.470 0.020 . 2 . . . . . 5 LYS HG3 . 52910 1 57 . 1 . 1 6 6 LYS HD2 H 1 1.645 0.020 . 2 . . . . . 5 LYS HD2 . 52910 1 58 . 1 . 1 6 6 LYS HD3 H 1 1.681 0.020 . 2 . . . . . 5 LYS HD3 . 52910 1 59 . 1 . 1 6 6 LYS HE2 H 1 2.928 0.020 . 2 . . . . . 5 LYS HE2 . 52910 1 60 . 1 . 1 6 6 LYS C C 13 175.195 0.400 . 1 . . . . . 5 LYS C . 52910 1 61 . 1 . 1 6 6 LYS CA C 13 55.822 0.400 . 1 . . . . . 5 LYS CA . 52910 1 62 . 1 . 1 6 6 LYS CB C 13 32.008 0.400 . 1 . . . . . 5 LYS CB . 52910 1 63 . 1 . 1 6 6 LYS CG C 13 25.017 0.400 . 1 . . . . . 5 LYS CG . 52910 1 64 . 1 . 1 6 6 LYS CD C 13 29.460 0.400 . 1 . . . . . 5 LYS CD . 52910 1 65 . 1 . 1 6 6 LYS CE C 13 42.298 0.400 . 1 . . . . . 5 LYS CE . 52910 1 66 . 1 . 1 6 6 LYS N N 15 123.740 0.400 . 1 . . . . . 5 LYS N . 52910 1 67 . 1 . 1 7 7 LEU H H 1 9.244 0.020 . 1 . . . . . 6 LEU H . 52910 1 68 . 1 . 1 7 7 LEU HA H 1 4.789 0.020 . 1 . . . . . 6 LEU HA . 52910 1 69 . 1 . 1 7 7 LEU HB2 H 1 1.224 0.020 . 2 . . . . . 6 LEU HB2 . 52910 1 70 . 1 . 1 7 7 LEU HB3 H 1 1.842 0.020 . 2 . . . . . 6 LEU HB3 . 52910 1 71 . 1 . 1 7 7 LEU HG H 1 1.708 0.020 . 1 . . . . . 6 LEU HG . 52910 1 72 . 1 . 1 7 7 LEU HD11 H 1 0.710 0.020 . 2 . . . . . 6 LEU HD11 . 52910 1 73 . 1 . 1 7 7 LEU HD12 H 1 0.710 0.020 . 2 . . . . . 6 LEU HD12 . 52910 1 74 . 1 . 1 7 7 LEU HD13 H 1 0.710 0.020 . 2 . . . . . 6 LEU HD13 . 52910 1 75 . 1 . 1 7 7 LEU HD21 H 1 0.932 0.020 . 2 . . . . . 6 LEU HD21 . 52910 1 76 . 1 . 1 7 7 LEU HD22 H 1 0.932 0.020 . 2 . . . . . 6 LEU HD22 . 52910 1 77 . 1 . 1 7 7 LEU HD23 H 1 0.932 0.020 . 2 . . . . . 6 LEU HD23 . 52910 1 78 . 1 . 1 7 7 LEU C C 13 175.946 0.400 . 1 . . . . . 6 LEU C . 52910 1 79 . 1 . 1 7 7 LEU CA C 13 53.421 0.400 . 1 . . . . . 6 LEU CA . 52910 1 80 . 1 . 1 7 7 LEU CB C 13 43.739 0.400 . 1 . . . . . 6 LEU CB . 52910 1 81 . 1 . 1 7 7 LEU CG C 13 27.986 0.400 . 1 . . . . . 6 LEU CG . 52910 1 82 . 1 . 1 7 7 LEU CD1 C 13 24.828 0.400 . 2 . . . . . 6 LEU CD1 . 52910 1 83 . 1 . 1 7 7 LEU CD2 C 13 26.491 0.400 . 2 . . . . . 6 LEU CD2 . 52910 1 84 . 1 . 1 7 7 LEU N N 15 125.841 0.400 . 1 . . . . . 6 LEU N . 52910 1 85 . 1 . 1 8 8 VAL H H 1 8.125 0.020 . 1 . . . . . 7 VAL H . 52910 1 86 . 1 . 1 8 8 VAL HA H 1 4.845 0.020 . 1 . . . . . 7 VAL HA . 52910 1 87 . 1 . 1 8 8 VAL HB H 1 1.758 0.020 . 1 . . . . . 7 VAL HB . 52910 1 88 . 1 . 1 8 8 VAL HG11 H 1 0.735 0.020 . 2 . . . . . 7 VAL HG11 . 52910 1 89 . 1 . 1 8 8 VAL HG12 H 1 0.735 0.020 . 2 . . . . . 7 VAL HG12 . 52910 1 90 . 1 . 1 8 8 VAL HG13 H 1 0.735 0.020 . 2 . . . . . 7 VAL HG13 . 52910 1 91 . 1 . 1 8 8 VAL HG21 H 1 0.854 0.020 . 2 . . . . . 7 VAL HG21 . 52910 1 92 . 1 . 1 8 8 VAL HG22 H 1 0.854 0.020 . 2 . . . . . 7 VAL HG22 . 52910 1 93 . 1 . 1 8 8 VAL HG23 H 1 0.854 0.020 . 2 . . . . . 7 VAL HG23 . 52910 1 94 . 1 . 1 8 8 VAL C C 13 174.046 0.400 . 1 . . . . . 7 VAL C . 52910 1 95 . 1 . 1 8 8 VAL CA C 13 60.867 0.400 . 1 . . . . . 7 VAL CA . 52910 1 96 . 1 . 1 8 8 VAL CB C 13 34.095 0.400 . 1 . . . . . 7 VAL CB . 52910 1 97 . 1 . 1 8 8 VAL CG1 C 13 21.915 0.400 . 2 . . . . . 7 VAL CG1 . 52910 1 98 . 1 . 1 8 8 VAL CG2 C 13 23.094 0.400 . 2 . . . . . 7 VAL CG2 . 52910 1 99 . 1 . 1 8 8 VAL N N 15 121.981 0.400 . 1 . . . . . 7 VAL N . 52910 1 100 . 1 . 1 9 9 VAL H H 1 8.880 0.020 . 1 . . . . . 8 VAL H . 52910 1 101 . 1 . 1 9 9 VAL HA H 1 4.668 0.020 . 1 . . . . . 8 VAL HA . 52910 1 102 . 1 . 1 9 9 VAL HB H 1 2.312 0.020 . 1 . . . . . 8 VAL HB . 52910 1 103 . 1 . 1 9 9 VAL HG11 H 1 0.949 0.020 . 2 . . . . . 8 VAL HG11 . 52910 1 104 . 1 . 1 9 9 VAL HG12 H 1 0.949 0.020 . 2 . . . . . 8 VAL HG12 . 52910 1 105 . 1 . 1 9 9 VAL HG13 H 1 0.949 0.020 . 2 . . . . . 8 VAL HG13 . 52910 1 106 . 1 . 1 9 9 VAL HG21 H 1 0.918 0.020 . 2 . . . . . 8 VAL HG21 . 52910 1 107 . 1 . 1 9 9 VAL HG22 H 1 0.918 0.020 . 2 . . . . . 8 VAL HG22 . 52910 1 108 . 1 . 1 9 9 VAL HG23 H 1 0.918 0.020 . 2 . . . . . 8 VAL HG23 . 52910 1 109 . 1 . 1 9 9 VAL C C 13 175.231 0.400 . 1 . . . . . 8 VAL C . 52910 1 110 . 1 . 1 9 9 VAL CA C 13 62.042 0.400 . 1 . . . . . 8 VAL CA . 52910 1 111 . 1 . 1 9 9 VAL CB C 13 32.382 0.400 . 1 . . . . . 8 VAL CB . 52910 1 112 . 1 . 1 9 9 VAL CG1 C 13 20.353 0.400 . 2 . . . . . 8 VAL CG1 . 52910 1 113 . 1 . 1 9 9 VAL CG2 C 13 22.442 0.400 . 2 . . . . . 8 VAL CG2 . 52910 1 114 . 1 . 1 9 9 VAL N N 15 129.579 0.400 . 1 . . . . . 8 VAL N . 52910 1 115 . 1 . 1 10 10 VAL H H 1 9.097 0.020 . 1 . . . . . 9 VAL H . 52910 1 116 . 1 . 1 10 10 VAL HA H 1 4.597 0.020 . 1 . . . . . 9 VAL HA . 52910 1 117 . 1 . 1 10 10 VAL HB H 1 1.975 0.020 . 1 . . . . . 9 VAL HB . 52910 1 118 . 1 . 1 10 10 VAL HG11 H 1 1.049 0.020 . 2 . . . . . 9 VAL HG11 . 52910 1 119 . 1 . 1 10 10 VAL HG12 H 1 1.049 0.020 . 2 . . . . . 9 VAL HG12 . 52910 1 120 . 1 . 1 10 10 VAL HG13 H 1 1.049 0.020 . 2 . . . . . 9 VAL HG13 . 52910 1 121 . 1 . 1 10 10 VAL HG21 H 1 0.731 0.020 . 2 . . . . . 9 VAL HG21 . 52910 1 122 . 1 . 1 10 10 VAL HG22 H 1 0.731 0.020 . 2 . . . . . 9 VAL HG22 . 52910 1 123 . 1 . 1 10 10 VAL HG23 H 1 0.731 0.020 . 2 . . . . . 9 VAL HG23 . 52910 1 124 . 1 . 1 10 10 VAL C C 13 173.381 0.400 . 1 . . . . . 9 VAL C . 52910 1 125 . 1 . 1 10 10 VAL CA C 13 58.761 0.400 . 1 . . . . . 9 VAL CA . 52910 1 126 . 1 . 1 10 10 VAL CB C 13 35.247 0.400 . 1 . . . . . 9 VAL CB . 52910 1 127 . 1 . 1 10 10 VAL CG1 C 13 23.795 0.400 . 2 . . . . . 9 VAL CG1 . 52910 1 128 . 1 . 1 10 10 VAL CG2 C 13 20.933 0.400 . 2 . . . . . 9 VAL CG2 . 52910 1 129 . 1 . 1 10 10 VAL N N 15 120.015 0.400 . 1 . . . . . 9 VAL N . 52910 1 130 . 1 . 1 11 11 GLY H H 1 7.829 0.020 . 1 . . . . . 10 GLY H . 52910 1 131 . 1 . 1 11 11 GLY HA2 H 1 3.075 0.020 . 2 . . . . . 10 GLY HA2 . 52910 1 132 . 1 . 1 11 11 GLY HA3 H 1 4.685 0.020 . 2 . . . . . 10 GLY HA3 . 52910 1 133 . 1 . 1 11 11 GLY C C 13 172.801 0.400 . 1 . . . . . 10 GLY C . 52910 1 134 . 1 . 1 11 11 GLY CA C 13 43.983 0.400 . 1 . . . . . 10 GLY CA . 52910 1 135 . 1 . 1 11 11 GLY N N 15 108.038 0.400 . 1 . . . . . 10 GLY N . 52910 1 136 . 1 . 1 12 12 ALA H H 1 9.072 0.020 . 1 . . . . . 11 ALA H . 52910 1 137 . 1 . 1 12 12 ALA HA H 1 4.670 0.020 . 1 . . . . . 11 ALA HA . 52910 1 138 . 1 . 1 12 12 ALA HB1 H 1 1.626 0.020 . 1 . . . . . 11 ALA HB1 . 52910 1 139 . 1 . 1 12 12 ALA HB2 H 1 1.626 0.020 . 1 . . . . . 11 ALA HB2 . 52910 1 140 . 1 . 1 12 12 ALA HB3 H 1 1.626 0.020 . 1 . . . . . 11 ALA HB3 . 52910 1 141 . 1 . 1 12 12 ALA C C 13 177.383 0.400 . 1 . . . . . 11 ALA C . 52910 1 142 . 1 . 1 12 12 ALA CA C 13 52.525 0.400 . 1 . . . . . 11 ALA CA . 52910 1 143 . 1 . 1 12 12 ALA CB C 13 19.559 0.400 . 1 . . . . . 11 ALA CB . 52910 1 144 . 1 . 1 12 12 ALA N N 15 120.271 0.400 . 1 . . . . . 11 ALA N . 52910 1 145 . 1 . 1 13 13 GLY H H 1 8.360 0.020 . 1 . . . . . 12 GLY H . 52910 1 146 . 1 . 1 13 13 GLY HA2 H 1 4.489 0.020 . 2 . . . . . 12 GLY HA2 . 52910 1 147 . 1 . 1 13 13 GLY HA3 H 1 3.697 0.020 . 2 . . . . . 12 GLY HA3 . 52910 1 148 . 1 . 1 13 13 GLY C C 13 176.028 0.400 . 1 . . . . . 12 GLY C . 52910 1 149 . 1 . 1 13 13 GLY CA C 13 46.267 0.400 . 1 . . . . . 12 GLY CA . 52910 1 150 . 1 . 1 13 13 GLY N N 15 105.337 0.400 . 1 . . . . . 12 GLY N . 52910 1 151 . 1 . 1 14 14 GLY H H 1 8.043 0.020 . 1 . . . . . 13 GLY H . 52910 1 152 . 1 . 1 14 14 GLY HA2 H 1 3.371 0.020 . 2 . . . . . 13 GLY HA2 . 52910 1 153 . 1 . 1 14 14 GLY HA3 H 1 3.914 0.020 . 2 . . . . . 13 GLY HA3 . 52910 1 154 . 1 . 1 14 14 GLY C C 13 173.859 0.400 . 1 . . . . . 13 GLY C . 52910 1 155 . 1 . 1 14 14 GLY CA C 13 46.239 0.400 . 1 . . . . . 13 GLY CA . 52910 1 156 . 1 . 1 14 14 GLY N N 15 110.123 0.400 . 1 . . . . . 13 GLY N . 52910 1 157 . 1 . 1 15 15 VAL H H 1 7.361 0.020 . 1 . . . . . 14 VAL H . 52910 1 158 . 1 . 1 15 15 VAL HA H 1 3.963 0.020 . 1 . . . . . 14 VAL HA . 52910 1 159 . 1 . 1 15 15 VAL HB H 1 2.071 0.020 . 1 . . . . . 14 VAL HB . 52910 1 160 . 1 . 1 15 15 VAL HG11 H 1 1.120 0.020 . 2 . . . . . 14 VAL HG11 . 52910 1 161 . 1 . 1 15 15 VAL HG12 H 1 1.120 0.020 . 2 . . . . . 14 VAL HG12 . 52910 1 162 . 1 . 1 15 15 VAL HG13 H 1 1.120 0.020 . 2 . . . . . 14 VAL HG13 . 52910 1 163 . 1 . 1 15 15 VAL HG21 H 1 0.981 0.020 . 2 . . . . . 14 VAL HG21 . 52910 1 164 . 1 . 1 15 15 VAL HG22 H 1 0.981 0.020 . 2 . . . . . 14 VAL HG22 . 52910 1 165 . 1 . 1 15 15 VAL HG23 H 1 0.981 0.020 . 2 . . . . . 14 VAL HG23 . 52910 1 166 . 1 . 1 15 15 VAL C C 13 174.708 0.400 . 1 . . . . . 14 VAL C . 52910 1 167 . 1 . 1 15 15 VAL CA C 13 63.051 0.400 . 1 . . . . . 14 VAL CA . 52910 1 168 . 1 . 1 15 15 VAL CB C 13 32.220 0.400 . 1 . . . . . 14 VAL CB . 52910 1 169 . 1 . 1 15 15 VAL CG1 C 13 21.961 0.400 . 2 . . . . . 14 VAL CG1 . 52910 1 170 . 1 . 1 15 15 VAL CG2 C 13 17.727 0.400 . 2 . . . . . 14 VAL CG2 . 52910 1 171 . 1 . 1 15 15 VAL N N 15 112.327 0.400 . 1 . . . . . 14 VAL N . 52910 1 172 . 1 . 1 16 16 GLY H H 1 8.421 0.020 . 1 . . . . . 15 GLY H . 52910 1 173 . 1 . 1 16 16 GLY HA2 H 1 4.325 0.020 . 2 . . . . . 15 GLY HA2 . 52910 1 174 . 1 . 1 16 16 GLY HA3 H 1 4.941 0.020 . 2 . . . . . 15 GLY HA3 . 52910 1 175 . 1 . 1 16 16 GLY C C 13 173.890 0.400 . 1 . . . . . 15 GLY C . 52910 1 176 . 1 . 1 16 16 GLY CA C 13 46.252 0.400 . 1 . . . . . 15 GLY CA . 52910 1 177 . 1 . 1 16 16 GLY N N 15 107.725 0.400 . 1 . . . . . 15 GLY N . 52910 1 178 . 1 . 1 17 17 LYS H H 1 9.014 0.020 . 1 . . . . . 16 LYS H . 52910 1 179 . 1 . 1 17 17 LYS HA H 1 3.564 0.020 . 1 . . . . . 16 LYS HA . 52910 1 180 . 1 . 1 17 17 LYS HB2 H 1 2.461 0.020 . 2 . . . . . 16 LYS HB2 . 52910 1 181 . 1 . 1 17 17 LYS HB3 H 1 1.656 0.020 . 2 . . . . . 16 LYS HB3 . 52910 1 182 . 1 . 1 17 17 LYS HG2 H 1 1.426 0.020 . 2 . . . . . 16 LYS HG2 . 52910 1 183 . 1 . 1 17 17 LYS HG3 H 1 1.207 0.020 . 2 . . . . . 16 LYS HG3 . 52910 1 184 . 1 . 1 17 17 LYS HD2 H 1 1.207 0.020 . 2 . . . . . 16 LYS HD2 . 52910 1 185 . 1 . 1 17 17 LYS HE2 H 1 3.513 0.020 . 2 . . . . . 16 LYS HE2 . 52910 1 186 . 1 . 1 17 17 LYS HE3 H 1 2.826 0.020 . 2 . . . . . 16 LYS HE3 . 52910 1 187 . 1 . 1 17 17 LYS C C 13 178.975 0.400 . 1 . . . . . 16 LYS C . 52910 1 188 . 1 . 1 17 17 LYS CA C 13 61.255 0.400 . 1 . . . . . 16 LYS CA . 52910 1 189 . 1 . 1 17 17 LYS CB C 13 29.816 0.400 . 1 . . . . . 16 LYS CB . 52910 1 190 . 1 . 1 17 17 LYS CG C 13 23.481 0.400 . 1 . . . . . 16 LYS CG . 52910 1 191 . 1 . 1 17 17 LYS CD C 13 27.648 0.400 . 1 . . . . . 16 LYS CD . 52910 1 192 . 1 . 1 17 17 LYS CE C 13 38.767 0.400 . 1 . . . . . 16 LYS CE . 52910 1 193 . 1 . 1 17 17 LYS N N 15 122.854 0.400 . 1 . . . . . 16 LYS N . 52910 1 194 . 1 . 1 18 18 SER H H 1 9.213 0.020 . 1 . . . . . 17 SER H . 52910 1 195 . 1 . 1 18 18 SER HA H 1 4.460 0.020 . 1 . . . . . 17 SER HA . 52910 1 196 . 1 . 1 18 18 SER HB2 H 1 3.937 0.020 . 2 . . . . . 17 SER HB2 . 52910 1 197 . 1 . 1 18 18 SER C C 13 175.710 0.400 . 1 . . . . . 17 SER C . 52910 1 198 . 1 . 1 18 18 SER CA C 13 61.252 0.400 . 1 . . . . . 17 SER CA . 52910 1 199 . 1 . 1 18 18 SER CB C 13 61.239 0.400 . 1 . . . . . 17 SER CB . 52910 1 200 . 1 . 1 18 18 SER N N 15 120.732 0.400 . 1 . . . . . 17 SER N . 52910 1 201 . 1 . 1 19 19 ALA H H 1 9.795 0.020 . 1 . . . . . 18 ALA H . 52910 1 202 . 1 . 1 19 19 ALA HA H 1 4.119 0.020 . 1 . . . . . 18 ALA HA . 52910 1 203 . 1 . 1 19 19 ALA HB1 H 1 1.399 0.020 . 1 . . . . . 18 ALA HB1 . 52910 1 204 . 1 . 1 19 19 ALA HB2 H 1 1.399 0.020 . 1 . . . . . 18 ALA HB2 . 52910 1 205 . 1 . 1 19 19 ALA HB3 H 1 1.399 0.020 . 1 . . . . . 18 ALA HB3 . 52910 1 206 . 1 . 1 19 19 ALA C C 13 182.318 0.400 . 1 . . . . . 18 ALA C . 52910 1 207 . 1 . 1 19 19 ALA CA C 13 54.412 0.400 . 1 . . . . . 18 ALA CA . 52910 1 208 . 1 . 1 19 19 ALA CB C 13 18.375 0.400 . 1 . . . . . 18 ALA CB . 52910 1 209 . 1 . 1 19 19 ALA N N 15 125.852 0.400 . 1 . . . . . 18 ALA N . 52910 1 210 . 1 . 1 20 20 LEU H H 1 8.933 0.020 . 1 . . . . . 19 LEU H . 52910 1 211 . 1 . 1 20 20 LEU HA H 1 3.875 0.020 . 1 . . . . . 19 LEU HA . 52910 1 212 . 1 . 1 20 20 LEU HB2 H 1 2.279 0.020 . 2 . . . . . 19 LEU HB2 . 52910 1 213 . 1 . 1 20 20 LEU HB3 H 1 1.301 0.020 . 2 . . . . . 19 LEU HB3 . 52910 1 214 . 1 . 1 20 20 LEU HG H 1 1.953 0.020 . 1 . . . . . 19 LEU HG . 52910 1 215 . 1 . 1 20 20 LEU HD11 H 1 0.609 0.020 . 2 . . . . . 19 LEU HD11 . 52910 1 216 . 1 . 1 20 20 LEU HD12 H 1 0.609 0.020 . 2 . . . . . 19 LEU HD12 . 52910 1 217 . 1 . 1 20 20 LEU HD13 H 1 0.609 0.020 . 2 . . . . . 19 LEU HD13 . 52910 1 218 . 1 . 1 20 20 LEU HD21 H 1 0.807 0.020 . 2 . . . . . 19 LEU HD21 . 52910 1 219 . 1 . 1 20 20 LEU HD22 H 1 0.807 0.020 . 2 . . . . . 19 LEU HD22 . 52910 1 220 . 1 . 1 20 20 LEU HD23 H 1 0.807 0.020 . 2 . . . . . 19 LEU HD23 . 52910 1 221 . 1 . 1 20 20 LEU C C 13 177.550 0.400 . 1 . . . . . 19 LEU C . 52910 1 222 . 1 . 1 20 20 LEU CA C 13 58.906 0.400 . 1 . . . . . 19 LEU CA . 52910 1 223 . 1 . 1 20 20 LEU CB C 13 43.307 0.400 . 1 . . . . . 19 LEU CB . 52910 1 224 . 1 . 1 20 20 LEU CG C 13 27.345 0.400 . 1 . . . . . 19 LEU CG . 52910 1 225 . 1 . 1 20 20 LEU CD1 C 13 26.712 0.400 . 2 . . . . . 19 LEU CD1 . 52910 1 226 . 1 . 1 20 20 LEU CD2 C 13 24.711 0.400 . 2 . . . . . 19 LEU CD2 . 52910 1 227 . 1 . 1 20 20 LEU N N 15 120.345 0.400 . 1 . . . . . 19 LEU N . 52910 1 228 . 1 . 1 21 21 THR H H 1 7.737 0.020 . 1 . . . . . 20 THR H . 52910 1 229 . 1 . 1 21 21 THR HA H 1 3.425 0.020 . 1 . . . . . 20 THR HA . 52910 1 230 . 1 . 1 21 21 THR HB H 1 4.052 0.020 . 1 . . . . . 20 THR HB . 52910 1 231 . 1 . 1 21 21 THR HG21 H 1 0.600 0.020 . 1 . . . . . 20 THR HG21 . 52910 1 232 . 1 . 1 21 21 THR HG22 H 1 0.600 0.020 . 1 . . . . . 20 THR HG22 . 52910 1 233 . 1 . 1 21 21 THR HG23 H 1 0.600 0.020 . 1 . . . . . 20 THR HG23 . 52910 1 234 . 1 . 1 21 21 THR C C 13 175.878 0.400 . 1 . . . . . 20 THR C . 52910 1 235 . 1 . 1 21 21 THR CA C 13 68.233 0.400 . 1 . . . . . 20 THR CA . 52910 1 236 . 1 . 1 21 21 THR CB C 13 68.230 0.400 . 1 . . . . . 20 THR CB . 52910 1 237 . 1 . 1 21 21 THR CG2 C 13 22.853 0.400 . 1 . . . . . 20 THR CG2 . 52910 1 238 . 1 . 1 21 21 THR N N 15 117.530 0.400 . 1 . . . . . 20 THR N . 52910 1 239 . 1 . 1 22 22 ILE H H 1 9.347 0.020 . 1 . . . . . 21 ILE H . 52910 1 240 . 1 . 1 22 22 ILE HA H 1 3.201 0.020 . 1 . . . . . 21 ILE HA . 52910 1 241 . 1 . 1 22 22 ILE HB H 1 1.889 0.020 . 1 . . . . . 21 ILE HB . 52910 1 242 . 1 . 1 22 22 ILE HG12 H 1 0.964 0.020 . 2 . . . . . 21 ILE HG12 . 52910 1 243 . 1 . 1 22 22 ILE HG13 H 1 1.425 0.020 . 2 . . . . . 21 ILE HG13 . 52910 1 244 . 1 . 1 22 22 ILE HG21 H 1 0.607 0.020 . 1 . . . . . 21 ILE HG21 . 52910 1 245 . 1 . 1 22 22 ILE HG22 H 1 0.607 0.020 . 1 . . . . . 21 ILE HG22 . 52910 1 246 . 1 . 1 22 22 ILE HG23 H 1 0.607 0.020 . 1 . . . . . 21 ILE HG23 . 52910 1 247 . 1 . 1 22 22 ILE HD11 H 1 0.643 0.020 . 1 . . . . . 21 ILE HD11 . 52910 1 248 . 1 . 1 22 22 ILE HD12 H 1 0.643 0.020 . 1 . . . . . 21 ILE HD12 . 52910 1 249 . 1 . 1 22 22 ILE HD13 H 1 0.643 0.020 . 1 . . . . . 21 ILE HD13 . 52910 1 250 . 1 . 1 22 22 ILE C C 13 179.476 0.400 . 1 . . . . . 21 ILE C . 52910 1 251 . 1 . 1 22 22 ILE CA C 13 64.724 0.400 . 1 . . . . . 21 ILE CA . 52910 1 252 . 1 . 1 22 22 ILE CB C 13 36.504 0.400 . 1 . . . . . 21 ILE CB . 52910 1 253 . 1 . 1 22 22 ILE CG1 C 13 29.990 0.400 . 1 . . . . . 21 ILE CG1 . 52910 1 254 . 1 . 1 22 22 ILE CG2 C 13 17.563 0.400 . 1 . . . . . 21 ILE CG2 . 52910 1 255 . 1 . 1 22 22 ILE CD1 C 13 11.820 0.400 . 1 . . . . . 21 ILE CD1 . 52910 1 256 . 1 . 1 22 22 ILE N N 15 121.445 0.400 . 1 . . . . . 21 ILE N . 52910 1 257 . 1 . 1 23 23 GLN H H 1 7.841 0.020 . 1 . . . . . 22 GLN H . 52910 1 258 . 1 . 1 23 23 GLN HA H 1 4.352 0.020 . 1 . . . . . 22 GLN HA . 52910 1 259 . 1 . 1 23 23 GLN HB2 H 1 1.972 0.020 . 2 . . . . . 22 GLN HB2 . 52910 1 260 . 1 . 1 23 23 GLN HB3 H 1 2.403 0.020 . 2 . . . . . 22 GLN HB3 . 52910 1 261 . 1 . 1 23 23 GLN HG2 H 1 2.610 0.020 . 2 . . . . . 22 GLN HG2 . 52910 1 262 . 1 . 1 23 23 GLN HG3 H 1 2.543 0.020 . 2 . . . . . 22 GLN HG3 . 52910 1 263 . 1 . 1 23 23 GLN HE21 H 1 6.693 0.020 . 2 . . . . . 22 GLN HE21 . 52910 1 264 . 1 . 1 23 23 GLN HE22 H 1 7.800 0.020 . 2 . . . . . 22 GLN HE22 . 52910 1 265 . 1 . 1 23 23 GLN C C 13 179.590 0.400 . 1 . . . . . 22 GLN C . 52910 1 266 . 1 . 1 23 23 GLN CA C 13 59.448 0.400 . 1 . . . . . 22 GLN CA . 52910 1 267 . 1 . 1 23 23 GLN CB C 13 29.316 0.400 . 1 . . . . . 22 GLN CB . 52910 1 268 . 1 . 1 23 23 GLN CG C 13 33.030 0.400 . 1 . . . . . 22 GLN CG . 52910 1 269 . 1 . 1 23 23 GLN N N 15 120.858 0.400 . 1 . . . . . 22 GLN N . 52910 1 270 . 1 . 1 23 23 GLN NE2 N 15 107.623 0.400 . 1 . . . . . 22 GLN NE2 . 52910 1 271 . 1 . 1 24 24 LEU H H 1 7.660 0.020 . 1 . . . . . 23 LEU H . 52910 1 272 . 1 . 1 24 24 LEU HA H 1 3.730 0.020 . 1 . . . . . 23 LEU HA . 52910 1 273 . 1 . 1 24 24 LEU HB2 H 1 0.900 0.020 . 2 . . . . . 23 LEU HB2 . 52910 1 274 . 1 . 1 24 24 LEU HB3 H 1 1.571 0.020 . 2 . . . . . 23 LEU HB3 . 52910 1 275 . 1 . 1 24 24 LEU HG H 1 1.044 0.020 . 1 . . . . . 23 LEU HG . 52910 1 276 . 1 . 1 24 24 LEU HD11 H 1 -0.248 0.020 . 2 . . . . . 23 LEU HD11 . 52910 1 277 . 1 . 1 24 24 LEU HD12 H 1 -0.248 0.020 . 2 . . . . . 23 LEU HD12 . 52910 1 278 . 1 . 1 24 24 LEU HD13 H 1 -0.248 0.020 . 2 . . . . . 23 LEU HD13 . 52910 1 279 . 1 . 1 24 24 LEU HD21 H 1 0.614 0.020 . 2 . . . . . 23 LEU HD21 . 52910 1 280 . 1 . 1 24 24 LEU HD22 H 1 0.614 0.020 . 2 . . . . . 23 LEU HD22 . 52910 1 281 . 1 . 1 24 24 LEU HD23 H 1 0.614 0.020 . 2 . . . . . 23 LEU HD23 . 52910 1 282 . 1 . 1 24 24 LEU C C 13 178.274 0.400 . 1 . . . . . 23 LEU C . 52910 1 283 . 1 . 1 24 24 LEU CA C 13 58.267 0.400 . 1 . . . . . 23 LEU CA . 52910 1 284 . 1 . 1 24 24 LEU CB C 13 40.844 0.400 . 1 . . . . . 23 LEU CB . 52910 1 285 . 1 . 1 24 24 LEU CG C 13 26.145 0.400 . 1 . . . . . 23 LEU CG . 52910 1 286 . 1 . 1 24 24 LEU CD1 C 13 23.775 0.400 . 2 . . . . . 23 LEU CD1 . 52910 1 287 . 1 . 1 24 24 LEU CD2 C 13 22.957 0.400 . 2 . . . . . 23 LEU CD2 . 52910 1 288 . 1 . 1 24 24 LEU N N 15 120.733 0.400 . 1 . . . . . 23 LEU N . 52910 1 289 . 1 . 1 25 25 ILE H H 1 8.207 0.020 . 1 . . . . . 24 ILE H . 52910 1 290 . 1 . 1 25 25 ILE HA H 1 3.698 0.020 . 1 . . . . . 24 ILE HA . 52910 1 291 . 1 . 1 25 25 ILE HB H 1 1.705 0.020 . 1 . . . . . 24 ILE HB . 52910 1 292 . 1 . 1 25 25 ILE HG12 H 1 0.988 0.020 . 2 . . . . . 24 ILE HG12 . 52910 1 293 . 1 . 1 25 25 ILE HG13 H 1 1.452 0.020 . 2 . . . . . 24 ILE HG13 . 52910 1 294 . 1 . 1 25 25 ILE HG21 H 1 0.971 0.020 . 1 . . . . . 24 ILE HG21 . 52910 1 295 . 1 . 1 25 25 ILE HG22 H 1 0.971 0.020 . 1 . . . . . 24 ILE HG22 . 52910 1 296 . 1 . 1 25 25 ILE HG23 H 1 0.971 0.020 . 1 . . . . . 24 ILE HG23 . 52910 1 297 . 1 . 1 25 25 ILE HD11 H 1 0.446 0.020 . 1 . . . . . 24 ILE HD11 . 52910 1 298 . 1 . 1 25 25 ILE HD12 H 1 0.446 0.020 . 1 . . . . . 24 ILE HD12 . 52910 1 299 . 1 . 1 25 25 ILE HD13 H 1 0.446 0.020 . 1 . . . . . 24 ILE HD13 . 52910 1 300 . 1 . 1 25 25 ILE C C 13 177.503 0.400 . 1 . . . . . 24 ILE C . 52910 1 301 . 1 . 1 25 25 ILE CA C 13 62.255 0.400 . 1 . . . . . 24 ILE CA . 52910 1 302 . 1 . 1 25 25 ILE CB C 13 37.571 0.400 . 1 . . . . . 24 ILE CB . 52910 1 303 . 1 . 1 25 25 ILE CG1 C 13 26.065 0.400 . 1 . . . . . 24 ILE CG1 . 52910 1 304 . 1 . 1 25 25 ILE CG2 C 13 17.621 0.400 . 1 . . . . . 24 ILE CG2 . 52910 1 305 . 1 . 1 25 25 ILE CD1 C 13 11.077 0.400 . 1 . . . . . 24 ILE CD1 . 52910 1 306 . 1 . 1 25 25 ILE N N 15 113.816 0.400 . 1 . . . . . 24 ILE N . 52910 1 307 . 1 . 1 26 26 GLN H H 1 8.942 0.020 . 1 . . . . . 25 GLN H . 52910 1 308 . 1 . 1 26 26 GLN HA H 1 4.621 0.020 . 1 . . . . . 25 GLN HA . 52910 1 309 . 1 . 1 26 26 GLN HB2 H 1 2.291 0.020 . 2 . . . . . 25 GLN HB2 . 52910 1 310 . 1 . 1 26 26 GLN HB3 H 1 1.861 0.020 . 2 . . . . . 25 GLN HB3 . 52910 1 311 . 1 . 1 26 26 GLN HG2 H 1 2.220 0.020 . 2 . . . . . 25 GLN HG2 . 52910 1 312 . 1 . 1 26 26 GLN HG3 H 1 2.479 0.020 . 2 . . . . . 25 GLN HG3 . 52910 1 313 . 1 . 1 26 26 GLN HE21 H 1 7.405 0.020 . 2 . . . . . 25 GLN HE21 . 52910 1 314 . 1 . 1 26 26 GLN HE22 H 1 6.956 0.020 . 2 . . . . . 25 GLN HE22 . 52910 1 315 . 1 . 1 26 26 GLN C C 13 176.342 0.400 . 1 . . . . . 25 GLN C . 52910 1 316 . 1 . 1 26 26 GLN CA C 13 55.158 0.400 . 1 . . . . . 25 GLN CA . 52910 1 317 . 1 . 1 26 26 GLN CB C 13 30.817 0.400 . 1 . . . . . 25 GLN CB . 52910 1 318 . 1 . 1 26 26 GLN CG C 13 33.762 0.400 . 1 . . . . . 25 GLN CG . 52910 1 319 . 1 . 1 26 26 GLN N N 15 116.165 0.400 . 1 . . . . . 25 GLN N . 52910 1 320 . 1 . 1 26 26 GLN NE2 N 15 110.020 0.400 . 1 . . . . . 25 GLN NE2 . 52910 1 321 . 1 . 1 27 27 ASN H H 1 7.982 0.020 . 1 . . . . . 26 ASN H . 52910 1 322 . 1 . 1 27 27 ASN HA H 1 4.802 0.020 . 1 . . . . . 26 ASN HA . 52910 1 323 . 1 . 1 27 27 ASN HB2 H 1 2.734 0.020 . 2 . . . . . 26 ASN HB2 . 52910 1 324 . 1 . 1 27 27 ASN HB3 H 1 3.128 0.020 . 2 . . . . . 26 ASN HB3 . 52910 1 325 . 1 . 1 27 27 ASN HD21 H 1 6.681 0.020 . 2 . . . . . 26 ASN HD21 . 52910 1 326 . 1 . 1 27 27 ASN HD22 H 1 7.485 0.020 . 2 . . . . . 26 ASN HD22 . 52910 1 327 . 1 . 1 27 27 ASN C C 13 174.074 0.400 . 1 . . . . . 26 ASN C . 52910 1 328 . 1 . 1 27 27 ASN CA C 13 54.700 0.400 . 1 . . . . . 26 ASN CA . 52910 1 329 . 1 . 1 27 27 ASN CB C 13 37.271 0.400 . 1 . . . . . 26 ASN CB . 52910 1 330 . 1 . 1 27 27 ASN N N 15 117.129 0.400 . 1 . . . . . 26 ASN N . 52910 1 331 . 1 . 1 27 27 ASN ND2 N 15 111.831 0.400 . 1 . . . . . 26 ASN ND2 . 52910 1 332 . 1 . 1 28 28 HIS H H 1 6.657 0.020 . 1 . . . . . 27 HIS H . 52910 1 333 . 1 . 1 28 28 HIS HA H 1 4.857 0.020 . 1 . . . . . 27 HIS HA . 52910 1 334 . 1 . 1 28 28 HIS HB2 H 1 3.005 0.020 . 2 . . . . . 27 HIS HB2 . 52910 1 335 . 1 . 1 28 28 HIS HB3 H 1 3.074 0.020 . 2 . . . . . 27 HIS HB3 . 52910 1 336 . 1 . 1 28 28 HIS HD2 H 1 6.844 0.020 . 1 . . . . . 27 HIS HD2 . 52910 1 337 . 1 . 1 28 28 HIS HE1 H 1 8.520 0.020 . 1 . . . . . 27 HIS HE1 . 52910 1 338 . 1 . 1 28 28 HIS C C 13 172.421 0.400 . 1 . . . . . 27 HIS C . 52910 1 339 . 1 . 1 28 28 HIS CA C 13 54.471 0.400 . 1 . . . . . 27 HIS CA . 52910 1 340 . 1 . 1 28 28 HIS CB C 13 31.948 0.400 . 1 . . . . . 27 HIS CB . 52910 1 341 . 1 . 1 28 28 HIS CD2 C 13 119.897 0.400 . 1 . . . . . 27 HIS CD2 . 52910 1 342 . 1 . 1 28 28 HIS CE1 C 13 136.900 0.400 . 1 . . . . . 27 HIS CE1 . 52910 1 343 . 1 . 1 28 28 HIS N N 15 110.866 0.400 . 1 . . . . . 27 HIS N . 52910 1 344 . 1 . 1 29 29 PHE H H 1 8.661 0.020 . 1 . . . . . 28 PHE H . 52910 1 345 . 1 . 1 29 29 PHE HA H 1 5.071 0.020 . 1 . . . . . 28 PHE HA . 52910 1 346 . 1 . 1 29 29 PHE HB2 H 1 2.743 0.020 . 2 . . . . . 28 PHE HB2 . 52910 1 347 . 1 . 1 29 29 PHE HB3 H 1 2.958 0.020 . 2 . . . . . 28 PHE HB3 . 52910 1 348 . 1 . 1 29 29 PHE HD1 H 1 6.897 0.020 . 1 . . . . . 28 PHE HD1 . 52910 1 349 . 1 . 1 29 29 PHE HD2 H 1 6.897 0.020 . 1 . . . . . 28 PHE HD2 . 52910 1 350 . 1 . 1 29 29 PHE HE1 H 1 6.488 0.020 . 1 . . . . . 28 PHE HE1 . 52910 1 351 . 1 . 1 29 29 PHE HE2 H 1 6.488 0.020 . 1 . . . . . 28 PHE HE2 . 52910 1 352 . 1 . 1 29 29 PHE HZ H 1 6.686 0.020 . 1 . . . . . 28 PHE HZ . 52910 1 353 . 1 . 1 29 29 PHE C C 13 174.247 0.400 . 1 . . . . . 28 PHE C . 52910 1 354 . 1 . 1 29 29 PHE CA C 13 55.027 0.400 . 1 . . . . . 28 PHE CA . 52910 1 355 . 1 . 1 29 29 PHE CB C 13 40.086 0.400 . 1 . . . . . 28 PHE CB . 52910 1 356 . 1 . 1 29 29 PHE CD2 C 13 131.715 0.400 . 3 . . . . . 28 PHE CD2 . 52910 1 357 . 1 . 1 29 29 PHE CE1 C 13 130.186 0.400 . 3 . . . . . 28 PHE CE1 . 52910 1 358 . 1 . 1 29 29 PHE CZ C 13 130.402 0.400 . 1 . . . . . 28 PHE CZ . 52910 1 359 . 1 . 1 29 29 PHE N N 15 123.200 0.400 . 1 . . . . . 28 PHE N . 52910 1 360 . 1 . 1 30 30 VAL H H 1 7.571 0.020 . 1 . . . . . 29 VAL H . 52910 1 361 . 1 . 1 30 30 VAL HA H 1 3.846 0.020 . 1 . . . . . 29 VAL HA . 52910 1 362 . 1 . 1 30 30 VAL HB H 1 1.739 0.020 . 1 . . . . . 29 VAL HB . 52910 1 363 . 1 . 1 30 30 VAL HG11 H 1 0.873 0.020 . 2 . . . . . 29 VAL HG11 . 52910 1 364 . 1 . 1 30 30 VAL HG12 H 1 0.873 0.020 . 2 . . . . . 29 VAL HG12 . 52910 1 365 . 1 . 1 30 30 VAL HG13 H 1 0.873 0.020 . 2 . . . . . 29 VAL HG13 . 52910 1 366 . 1 . 1 30 30 VAL HG21 H 1 0.921 0.020 . 2 . . . . . 29 VAL HG21 . 52910 1 367 . 1 . 1 30 30 VAL HG22 H 1 0.921 0.020 . 2 . . . . . 29 VAL HG22 . 52910 1 368 . 1 . 1 30 30 VAL HG23 H 1 0.921 0.020 . 2 . . . . . 29 VAL HG23 . 52910 1 369 . 1 . 1 30 30 VAL C C 13 173.096 0.400 . 1 . . . . . 29 VAL C . 52910 1 370 . 1 . 1 30 30 VAL CA C 13 60.961 0.400 . 1 . . . . . 29 VAL CA . 52910 1 371 . 1 . 1 30 30 VAL CB C 13 32.234 0.400 . 1 . . . . . 29 VAL CB . 52910 1 372 . 1 . 1 30 30 VAL CG1 C 13 20.109 0.400 . 2 . . . . . 29 VAL CG1 . 52910 1 373 . 1 . 1 30 30 VAL CG2 C 13 21.167 0.400 . 2 . . . . . 29 VAL CG2 . 52910 1 374 . 1 . 1 30 30 VAL N N 15 128.703 0.400 . 1 . . . . . 29 VAL N . 52910 1 375 . 1 . 1 31 31 ASP H H 1 7.962 0.020 . 1 . . . . . 30 ASP H . 52910 1 376 . 1 . 1 31 31 ASP HA H 1 3.762 0.020 . 1 . . . . . 30 ASP HA . 52910 1 377 . 1 . 1 31 31 ASP HB2 H 1 2.459 0.020 . 2 . . . . . 30 ASP HB2 . 52910 1 378 . 1 . 1 31 31 ASP HB3 H 1 2.477 0.020 . 2 . . . . . 30 ASP HB3 . 52910 1 379 . 1 . 1 31 31 ASP C C 13 176.839 0.400 . 1 . . . . . 30 ASP C . 52910 1 380 . 1 . 1 31 31 ASP CA C 13 54.885 0.400 . 1 . . . . . 30 ASP CA . 52910 1 381 . 1 . 1 31 31 ASP CB C 13 42.032 0.400 . 1 . . . . . 30 ASP CB . 52910 1 382 . 1 . 1 31 31 ASP N N 15 124.941 0.400 . 1 . . . . . 30 ASP N . 52910 1 383 . 1 . 1 32 32 GLU H H 1 7.817 0.020 . 1 . . . . . 31 GLU H . 52910 1 384 . 1 . 1 32 32 GLU HA H 1 4.269 0.020 . 1 . . . . . 31 GLU HA . 52910 1 385 . 1 . 1 32 32 GLU HB2 H 1 1.858 0.020 . 2 . . . . . 31 GLU HB2 . 52910 1 386 . 1 . 1 32 32 GLU HB3 H 1 1.925 0.020 . 2 . . . . . 31 GLU HB3 . 52910 1 387 . 1 . 1 32 32 GLU HG2 H 1 2.172 0.020 . 2 . . . . . 31 GLU HG2 . 52910 1 388 . 1 . 1 32 32 GLU C C 13 174.823 0.400 . 1 . . . . . 31 GLU C . 52910 1 389 . 1 . 1 32 32 GLU CA C 13 55.878 0.400 . 1 . . . . . 31 GLU CA . 52910 1 390 . 1 . 1 32 32 GLU CB C 13 30.538 0.400 . 1 . . . . . 31 GLU CB . 52910 1 391 . 1 . 1 32 32 GLU CG C 13 35.834 0.400 . 1 . . . . . 31 GLU CG . 52910 1 392 . 1 . 1 32 32 GLU N N 15 120.532 0.400 . 1 . . . . . 31 GLU N . 52910 1 393 . 1 . 1 33 33 TYR H H 1 8.850 0.020 . 1 . . . . . 32 TYR H . 52910 1 394 . 1 . 1 33 33 TYR HA H 1 5.095 0.020 . 1 . . . . . 32 TYR HA . 52910 1 395 . 1 . 1 33 33 TYR HB2 H 1 2.870 0.020 . 2 . . . . . 32 TYR HB2 . 52910 1 396 . 1 . 1 33 33 TYR HB3 H 1 3.126 0.020 . 2 . . . . . 32 TYR HB3 . 52910 1 397 . 1 . 1 33 33 TYR HD1 H 1 7.388 0.020 . 1 . . . . . 32 TYR HD1 . 52910 1 398 . 1 . 1 33 33 TYR HD2 H 1 7.388 0.020 . 1 . . . . . 32 TYR HD2 . 52910 1 399 . 1 . 1 33 33 TYR HE1 H 1 7.153 0.020 . 1 . . . . . 32 TYR HE1 . 52910 1 400 . 1 . 1 33 33 TYR HE2 H 1 7.153 0.020 . 1 . . . . . 32 TYR HE2 . 52910 1 401 . 1 . 1 33 33 TYR C C 13 173.516 0.400 . 1 . . . . . 32 TYR C . 52910 1 402 . 1 . 1 33 33 TYR CA C 13 53.918 0.400 . 1 . . . . . 32 TYR CA . 52910 1 403 . 1 . 1 33 33 TYR CB C 13 37.023 0.400 . 1 . . . . . 32 TYR CB . 52910 1 404 . 1 . 1 33 33 TYR CD2 C 13 132.381 0.400 . 3 . . . . . 32 TYR CD2 . 52910 1 405 . 1 . 1 33 33 TYR CE2 C 13 118.004 0.400 . 3 . . . . . 32 TYR CE2 . 52910 1 406 . 1 . 1 33 33 TYR N N 15 121.451 0.400 . 1 . . . . . 32 TYR N . 52910 1 407 . 1 . 1 34 34 ASP H H 1 9.200 0.020 . 1 . . . . . 33 ASP H . 52910 1 408 . 1 . 1 34 34 ASP HA H 1 5.046 0.020 . 1 . . . . . 33 ASP HA . 52910 1 409 . 1 . 1 34 34 ASP HB2 H 1 2.406 0.020 . 2 . . . . . 33 ASP HB2 . 52910 1 410 . 1 . 1 34 34 ASP HB3 H 1 2.750 0.020 . 2 . . . . . 33 ASP HB3 . 52910 1 411 . 1 . 1 34 34 ASP CA C 13 50.346 0.400 . 1 . . . . . 33 ASP CA . 52910 1 412 . 1 . 1 34 34 ASP CB C 13 40.856 0.400 . 1 . . . . . 33 ASP CB . 52910 1 413 . 1 . 1 34 34 ASP N N 15 132.719 0.400 . 1 . . . . . 33 ASP N . 52910 1 414 . 1 . 1 35 35 PRO HA H 1 4.412 0.020 . 1 . . . . . 34 PRO HA . 52910 1 415 . 1 . 1 35 35 PRO HB2 H 1 1.651 0.020 . 2 . . . . . 34 PRO HB2 . 52910 1 416 . 1 . 1 35 35 PRO HB3 H 1 2.135 0.020 . 2 . . . . . 34 PRO HB3 . 52910 1 417 . 1 . 1 35 35 PRO HG2 H 1 1.159 0.020 . 2 . . . . . 34 PRO HG2 . 52910 1 418 . 1 . 1 35 35 PRO HG3 H 1 1.737 0.020 . 2 . . . . . 34 PRO HG3 . 52910 1 419 . 1 . 1 35 35 PRO HD2 H 1 3.518 0.020 . 2 . . . . . 34 PRO HD2 . 52910 1 420 . 1 . 1 35 35 PRO HD3 H 1 2.883 0.020 . 2 . . . . . 34 PRO HD3 . 52910 1 421 . 1 . 1 35 35 PRO C C 13 176.621 0.400 . 1 . . . . . 34 PRO C . 52910 1 422 . 1 . 1 35 35 PRO CA C 13 63.482 0.400 . 1 . . . . . 34 PRO CA . 52910 1 423 . 1 . 1 35 35 PRO CB C 13 31.673 0.400 . 1 . . . . . 34 PRO CB . 52910 1 424 . 1 . 1 35 35 PRO CG C 13 26.569 0.400 . 1 . . . . . 34 PRO CG . 52910 1 425 . 1 . 1 35 35 PRO CD C 13 50.897 0.400 . 1 . . . . . 34 PRO CD . 52910 1 426 . 1 . 1 36 36 THR H H 1 9.467 0.020 . 1 . . . . . 35 THR H . 52910 1 427 . 1 . 1 36 36 THR HA H 1 4.041 0.020 . 1 . . . . . 35 THR HA . 52910 1 428 . 1 . 1 36 36 THR HB H 1 3.965 0.020 . 1 . . . . . 35 THR HB . 52910 1 429 . 1 . 1 36 36 THR HG21 H 1 0.910 0.020 . 1 . . . . . 35 THR HG21 . 52910 1 430 . 1 . 1 36 36 THR HG22 H 1 0.910 0.020 . 1 . . . . . 35 THR HG22 . 52910 1 431 . 1 . 1 36 36 THR HG23 H 1 0.910 0.020 . 1 . . . . . 35 THR HG23 . 52910 1 432 . 1 . 1 36 36 THR C C 13 174.605 0.400 . 1 . . . . . 35 THR C . 52910 1 433 . 1 . 1 36 36 THR CA C 13 63.558 0.400 . 1 . . . . . 35 THR CA . 52910 1 434 . 1 . 1 36 36 THR CB C 13 69.879 0.400 . 1 . . . . . 35 THR CB . 52910 1 435 . 1 . 1 36 36 THR CG2 C 13 21.124 0.400 . 1 . . . . . 35 THR CG2 . 52910 1 436 . 1 . 1 36 36 THR N N 15 124.278 0.400 . 1 . . . . . 35 THR N . 52910 1 437 . 1 . 1 37 37 ILE H H 1 8.743 0.020 . 1 . . . . . 36 ILE H . 52910 1 438 . 1 . 1 37 37 ILE HA H 1 3.593 0.020 . 1 . . . . . 36 ILE HA . 52910 1 439 . 1 . 1 37 37 ILE HB H 1 1.604 0.020 . 1 . . . . . 36 ILE HB . 52910 1 440 . 1 . 1 37 37 ILE HG12 H 1 0.382 0.020 . 2 . . . . . 36 ILE HG12 . 52910 1 441 . 1 . 1 37 37 ILE HG13 H 1 1.285 0.020 . 2 . . . . . 36 ILE HG13 . 52910 1 442 . 1 . 1 37 37 ILE HG21 H 1 0.697 0.020 . 1 . . . . . 36 ILE HG21 . 52910 1 443 . 1 . 1 37 37 ILE HG22 H 1 0.697 0.020 . 1 . . . . . 36 ILE HG22 . 52910 1 444 . 1 . 1 37 37 ILE HG23 H 1 0.697 0.020 . 1 . . . . . 36 ILE HG23 . 52910 1 445 . 1 . 1 37 37 ILE HD11 H 1 0.791 0.020 . 1 . . . . . 36 ILE HD11 . 52910 1 446 . 1 . 1 37 37 ILE HD12 H 1 0.791 0.020 . 1 . . . . . 36 ILE HD12 . 52910 1 447 . 1 . 1 37 37 ILE HD13 H 1 0.791 0.020 . 1 . . . . . 36 ILE HD13 . 52910 1 448 . 1 . 1 37 37 ILE C C 13 173.803 0.400 . 1 . . . . . 36 ILE C . 52910 1 449 . 1 . 1 37 37 ILE CA C 13 65.137 0.400 . 1 . . . . . 36 ILE CA . 52910 1 450 . 1 . 1 37 37 ILE CB C 13 37.549 0.400 . 1 . . . . . 36 ILE CB . 52910 1 451 . 1 . 1 37 37 ILE CG1 C 13 27.662 0.400 . 1 . . . . . 36 ILE CG1 . 52910 1 452 . 1 . 1 37 37 ILE CG2 C 13 17.169 0.400 . 1 . . . . . 36 ILE CG2 . 52910 1 453 . 1 . 1 37 37 ILE CD1 C 13 13.304 0.400 . 1 . . . . . 36 ILE CD1 . 52910 1 454 . 1 . 1 37 37 ILE N N 15 127.040 0.400 . 1 . . . . . 36 ILE N . 52910 1 455 . 1 . 1 38 38 GLU H H 1 7.277 0.020 . 1 . . . . . 37 GLU H . 52910 1 456 . 1 . 1 38 38 GLU C C 13 173.909 0.400 . 1 . . . . . 37 GLU C . 52910 1 457 . 1 . 1 38 38 GLU N N 15 114.912 0.400 . 1 . . . . . 37 GLU N . 52910 1 458 . 1 . 1 39 39 ASP H H 1 8.616 0.020 . 1 . . . . . 38 ASP H . 52910 1 459 . 1 . 1 39 39 ASP HA H 1 5.025 0.020 . 1 . . . . . 38 ASP HA . 52910 1 460 . 1 . 1 39 39 ASP HB2 H 1 2.463 0.020 . 2 . . . . . 38 ASP HB2 . 52910 1 461 . 1 . 1 39 39 ASP HB3 H 1 2.407 0.020 . 2 . . . . . 38 ASP HB3 . 52910 1 462 . 1 . 1 39 39 ASP C C 13 173.287 0.400 . 1 . . . . . 38 ASP C . 52910 1 463 . 1 . 1 39 39 ASP CA C 13 54.078 0.400 . 1 . . . . . 38 ASP CA . 52910 1 464 . 1 . 1 39 39 ASP CB C 13 46.728 0.400 . 1 . . . . . 38 ASP CB . 52910 1 465 . 1 . 1 39 39 ASP N N 15 125.498 0.400 . 1 . . . . . 38 ASP N . 52910 1 466 . 1 . 1 40 40 SER H H 1 8.231 0.020 . 1 . . . . . 39 SER H . 52910 1 467 . 1 . 1 40 40 SER HA H 1 5.482 0.020 . 1 . . . . . 39 SER HA . 52910 1 468 . 1 . 1 40 40 SER HB2 H 1 3.630 0.020 . 2 . . . . . 39 SER HB2 . 52910 1 469 . 1 . 1 40 40 SER CA C 13 56.964 0.400 . 1 . . . . . 39 SER CA . 52910 1 470 . 1 . 1 40 40 SER CB C 13 65.762 0.400 . 1 . . . . . 39 SER CB . 52910 1 471 . 1 . 1 40 40 SER N N 15 114.580 0.400 . 1 . . . . . 39 SER N . 52910 1 472 . 1 . 1 41 41 TYR HB2 H 1 2.369 0.020 . 2 . . . . . 40 TYR HB2 . 52910 1 473 . 1 . 1 41 41 TYR HB3 H 1 2.911 0.020 . 2 . . . . . 40 TYR HB3 . 52910 1 474 . 1 . 1 41 41 TYR HD1 H 1 6.937 0.020 . 1 . . . . . 40 TYR HD1 . 52910 1 475 . 1 . 1 41 41 TYR HD2 H 1 6.937 0.020 . 1 . . . . . 40 TYR HD2 . 52910 1 476 . 1 . 1 41 41 TYR HE1 H 1 6.682 0.020 . 1 . . . . . 40 TYR HE1 . 52910 1 477 . 1 . 1 41 41 TYR HE2 H 1 6.682 0.020 . 1 . . . . . 40 TYR HE2 . 52910 1 478 . 1 . 1 41 41 TYR C C 13 174.497 0.400 . 1 . . . . . 40 TYR C . 52910 1 479 . 1 . 1 41 41 TYR CB C 13 43.950 0.400 . 1 . . . . . 40 TYR CB . 52910 1 480 . 1 . 1 41 41 TYR CD1 C 13 133.470 0.400 . 3 . . . . . 40 TYR CD1 . 52910 1 481 . 1 . 1 41 41 TYR CE2 C 13 117.155 0.400 . 3 . . . . . 40 TYR CE2 . 52910 1 482 . 1 . 1 42 42 ARG H H 1 8.638 0.020 . 1 . . . . . 41 ARG H . 52910 1 483 . 1 . 1 42 42 ARG HA H 1 5.772 0.020 . 1 . . . . . 41 ARG HA . 52910 1 484 . 1 . 1 42 42 ARG HB2 H 1 1.735 0.020 . 2 . . . . . 41 ARG HB2 . 52910 1 485 . 1 . 1 42 42 ARG HG2 H 1 1.599 0.020 . 2 . . . . . 41 ARG HG2 . 52910 1 486 . 1 . 1 42 42 ARG HD2 H 1 3.123 0.020 . 2 . . . . . 41 ARG HD2 . 52910 1 487 . 1 . 1 42 42 ARG HD3 H 1 3.147 0.020 . 2 . . . . . 41 ARG HD3 . 52910 1 488 . 1 . 1 42 42 ARG HE H 1 7.519 0.020 . 1 . . . . . 41 ARG HE . 52910 1 489 . 1 . 1 42 42 ARG C C 13 175.774 0.400 . 1 . . . . . 41 ARG C . 52910 1 490 . 1 . 1 42 42 ARG CA C 13 54.663 0.400 . 1 . . . . . 41 ARG CA . 52910 1 491 . 1 . 1 42 42 ARG CB C 13 34.385 0.400 . 1 . . . . . 41 ARG CB . 52910 1 492 . 1 . 1 42 42 ARG CG C 13 27.707 0.400 . 1 . . . . . 41 ARG CG . 52910 1 493 . 1 . 1 42 42 ARG CD C 13 43.749 0.400 . 1 . . . . . 41 ARG CD . 52910 1 494 . 1 . 1 42 42 ARG N N 15 120.928 0.400 . 1 . . . . . 41 ARG N . 52910 1 495 . 1 . 1 42 42 ARG NE N 15 84.303 0.400 . 1 . . . . . 41 ARG NE . 52910 1 496 . 1 . 1 43 43 LYS H H 1 8.768 0.020 . 1 . . . . . 42 LYS H . 52910 1 497 . 1 . 1 43 43 LYS HA H 1 4.528 0.020 . 1 . . . . . 42 LYS HA . 52910 1 498 . 1 . 1 43 43 LYS HB2 H 1 1.676 0.020 . 2 . . . . . 42 LYS HB2 . 52910 1 499 . 1 . 1 43 43 LYS HB3 H 1 1.515 0.020 . 2 . . . . . 42 LYS HB3 . 52910 1 500 . 1 . 1 43 43 LYS HG2 H 1 1.238 0.020 . 2 . . . . . 42 LYS HG2 . 52910 1 501 . 1 . 1 43 43 LYS HD2 H 1 1.404 0.020 . 2 . . . . . 42 LYS HD2 . 52910 1 502 . 1 . 1 43 43 LYS HD3 H 1 1.739 0.020 . 2 . . . . . 42 LYS HD3 . 52910 1 503 . 1 . 1 43 43 LYS HE2 H 1 3.040 0.020 . 2 . . . . . 42 LYS HE2 . 52910 1 504 . 1 . 1 43 43 LYS HE3 H 1 3.096 0.020 . 2 . . . . . 42 LYS HE3 . 52910 1 505 . 1 . 1 43 43 LYS C C 13 173.647 0.400 . 1 . . . . . 42 LYS C . 52910 1 506 . 1 . 1 43 43 LYS CA C 13 55.675 0.400 . 1 . . . . . 42 LYS CA . 52910 1 507 . 1 . 1 43 43 LYS CB C 13 37.936 0.400 . 1 . . . . . 42 LYS CB . 52910 1 508 . 1 . 1 43 43 LYS CG C 13 25.033 0.400 . 1 . . . . . 42 LYS CG . 52910 1 509 . 1 . 1 43 43 LYS CD C 13 30.458 0.400 . 1 . . . . . 42 LYS CD . 52910 1 510 . 1 . 1 43 43 LYS CE C 13 42.386 0.400 . 1 . . . . . 42 LYS CE . 52910 1 511 . 1 . 1 43 43 LYS N N 15 123.281 0.400 . 1 . . . . . 42 LYS N . 52910 1 512 . 1 . 1 44 44 GLN H H 1 8.892 0.020 . 1 . . . . . 43 GLN H . 52910 1 513 . 1 . 1 44 44 GLN HA H 1 5.356 0.020 . 1 . . . . . 43 GLN HA . 52910 1 514 . 1 . 1 44 44 GLN HB2 H 1 1.953 0.020 . 2 . . . . . 43 GLN HB2 . 52910 1 515 . 1 . 1 44 44 GLN HG2 H 1 2.133 0.020 . 2 . . . . . 43 GLN HG2 . 52910 1 516 . 1 . 1 44 44 GLN HG3 H 1 2.237 0.020 . 2 . . . . . 43 GLN HG3 . 52910 1 517 . 1 . 1 44 44 GLN HE21 H 1 7.266 0.020 . 2 . . . . . 43 GLN HE21 . 52910 1 518 . 1 . 1 44 44 GLN HE22 H 1 6.806 0.020 . 2 . . . . . 43 GLN HE22 . 52910 1 519 . 1 . 1 44 44 GLN C C 13 175.311 0.400 . 1 . . . . . 43 GLN C . 52910 1 520 . 1 . 1 44 44 GLN CA C 13 55.240 0.400 . 1 . . . . . 43 GLN CA . 52910 1 521 . 1 . 1 44 44 GLN CB C 13 29.953 0.400 . 1 . . . . . 43 GLN CB . 52910 1 522 . 1 . 1 44 44 GLN CG C 13 34.564 0.400 . 1 . . . . . 43 GLN CG . 52910 1 523 . 1 . 1 44 44 GLN N N 15 129.084 0.400 . 1 . . . . . 43 GLN N . 52910 1 524 . 1 . 1 44 44 GLN NE2 N 15 111.566 0.400 . 1 . . . . . 43 GLN NE2 . 52910 1 525 . 1 . 1 45 45 VAL H H 1 9.073 0.020 . 1 . . . . . 44 VAL H . 52910 1 526 . 1 . 1 45 45 VAL HA H 1 4.712 0.020 . 1 . . . . . 44 VAL HA . 52910 1 527 . 1 . 1 45 45 VAL HB H 1 2.028 0.020 . 1 . . . . . 44 VAL HB . 52910 1 528 . 1 . 1 45 45 VAL HG11 H 1 0.714 0.020 . 2 . . . . . 44 VAL HG11 . 52910 1 529 . 1 . 1 45 45 VAL HG12 H 1 0.714 0.020 . 2 . . . . . 44 VAL HG12 . 52910 1 530 . 1 . 1 45 45 VAL HG13 H 1 0.714 0.020 . 2 . . . . . 44 VAL HG13 . 52910 1 531 . 1 . 1 45 45 VAL HG21 H 1 0.828 0.020 . 2 . . . . . 44 VAL HG21 . 52910 1 532 . 1 . 1 45 45 VAL HG22 H 1 0.828 0.020 . 2 . . . . . 44 VAL HG22 . 52910 1 533 . 1 . 1 45 45 VAL HG23 H 1 0.828 0.020 . 2 . . . . . 44 VAL HG23 . 52910 1 534 . 1 . 1 45 45 VAL C C 13 173.159 0.400 . 1 . . . . . 44 VAL C . 52910 1 535 . 1 . 1 45 45 VAL CA C 13 59.665 0.400 . 1 . . . . . 44 VAL CA . 52910 1 536 . 1 . 1 45 45 VAL CB C 13 36.121 0.400 . 1 . . . . . 44 VAL CB . 52910 1 537 . 1 . 1 45 45 VAL CG1 C 13 19.931 0.400 . 2 . . . . . 44 VAL CG1 . 52910 1 538 . 1 . 1 45 45 VAL CG2 C 13 21.476 0.400 . 2 . . . . . 44 VAL CG2 . 52910 1 539 . 1 . 1 45 45 VAL N N 15 122.082 0.400 . 1 . . . . . 44 VAL N . 52910 1 540 . 1 . 1 46 46 VAL H H 1 8.143 0.020 . 1 . . . . . 45 VAL H . 52910 1 541 . 1 . 1 46 46 VAL HA H 1 4.709 0.020 . 1 . . . . . 45 VAL HA . 52910 1 542 . 1 . 1 46 46 VAL HB H 1 1.842 0.020 . 1 . . . . . 45 VAL HB . 52910 1 543 . 1 . 1 46 46 VAL HG11 H 1 0.881 0.020 . 2 . . . . . 45 VAL HG11 . 52910 1 544 . 1 . 1 46 46 VAL HG12 H 1 0.881 0.020 . 2 . . . . . 45 VAL HG12 . 52910 1 545 . 1 . 1 46 46 VAL HG13 H 1 0.881 0.020 . 2 . . . . . 45 VAL HG13 . 52910 1 546 . 1 . 1 46 46 VAL HG21 H 1 0.628 0.020 . 2 . . . . . 45 VAL HG21 . 52910 1 547 . 1 . 1 46 46 VAL HG22 H 1 0.628 0.020 . 2 . . . . . 45 VAL HG22 . 52910 1 548 . 1 . 1 46 46 VAL HG23 H 1 0.628 0.020 . 2 . . . . . 45 VAL HG23 . 52910 1 549 . 1 . 1 46 46 VAL C C 13 175.798 0.400 . 1 . . . . . 45 VAL C . 52910 1 550 . 1 . 1 46 46 VAL CA C 13 61.658 0.400 . 1 . . . . . 45 VAL CA . 52910 1 551 . 1 . 1 46 46 VAL CB C 13 32.167 0.400 . 1 . . . . . 45 VAL CB . 52910 1 552 . 1 . 1 46 46 VAL CG1 C 13 21.093 0.400 . 2 . . . . . 45 VAL CG1 . 52910 1 553 . 1 . 1 46 46 VAL CG2 C 13 20.857 0.400 . 2 . . . . . 45 VAL CG2 . 52910 1 554 . 1 . 1 46 46 VAL N N 15 122.715 0.400 . 1 . . . . . 45 VAL N . 52910 1 555 . 1 . 1 47 47 ILE H H 1 8.416 0.020 . 1 . . . . . 46 ILE H . 52910 1 556 . 1 . 1 47 47 ILE HA H 1 3.970 0.020 . 1 . . . . . 46 ILE HA . 52910 1 557 . 1 . 1 47 47 ILE HB H 1 1.374 0.020 . 1 . . . . . 46 ILE HB . 52910 1 558 . 1 . 1 47 47 ILE HG12 H 1 -0.335 0.020 . 2 . . . . . 46 ILE HG12 . 52910 1 559 . 1 . 1 47 47 ILE HG13 H 1 0.909 0.020 . 2 . . . . . 46 ILE HG13 . 52910 1 560 . 1 . 1 47 47 ILE HG21 H 1 0.505 0.020 . 1 . . . . . 46 ILE HG21 . 52910 1 561 . 1 . 1 47 47 ILE HG22 H 1 0.505 0.020 . 1 . . . . . 46 ILE HG22 . 52910 1 562 . 1 . 1 47 47 ILE HG23 H 1 0.505 0.020 . 1 . . . . . 46 ILE HG23 . 52910 1 563 . 1 . 1 47 47 ILE HD11 H 1 0.353 0.020 . 1 . . . . . 46 ILE HD11 . 52910 1 564 . 1 . 1 47 47 ILE HD12 H 1 0.353 0.020 . 1 . . . . . 46 ILE HD12 . 52910 1 565 . 1 . 1 47 47 ILE HD13 H 1 0.353 0.020 . 1 . . . . . 46 ILE HD13 . 52910 1 566 . 1 . 1 47 47 ILE C C 13 176.534 0.400 . 1 . . . . . 46 ILE C . 52910 1 567 . 1 . 1 47 47 ILE CA C 13 60.382 0.400 . 1 . . . . . 46 ILE CA . 52910 1 568 . 1 . 1 47 47 ILE CB C 13 40.031 0.400 . 1 . . . . . 46 ILE CB . 52910 1 569 . 1 . 1 47 47 ILE CG1 C 13 26.194 0.400 . 1 . . . . . 46 ILE CG1 . 52910 1 570 . 1 . 1 47 47 ILE CG2 C 13 16.199 0.400 . 1 . . . . . 46 ILE CG2 . 52910 1 571 . 1 . 1 47 47 ILE CD1 C 13 15.038 0.400 . 1 . . . . . 46 ILE CD1 . 52910 1 572 . 1 . 1 47 47 ILE N N 15 126.439 0.400 . 1 . . . . . 46 ILE N . 52910 1 573 . 1 . 1 48 48 ASP H H 1 9.525 0.020 . 1 . . . . . 47 ASP H . 52910 1 574 . 1 . 1 48 48 ASP HA H 1 4.254 0.020 . 1 . . . . . 47 ASP HA . 52910 1 575 . 1 . 1 48 48 ASP HB2 H 1 2.821 0.020 . 2 . . . . . 47 ASP HB2 . 52910 1 576 . 1 . 1 48 48 ASP HB3 H 1 2.883 0.020 . 2 . . . . . 47 ASP HB3 . 52910 1 577 . 1 . 1 48 48 ASP C C 13 176.271 0.400 . 1 . . . . . 47 ASP C . 52910 1 578 . 1 . 1 48 48 ASP CA C 13 55.304 0.400 . 1 . . . . . 47 ASP CA . 52910 1 579 . 1 . 1 48 48 ASP CB C 13 39.568 0.400 . 1 . . . . . 47 ASP CB . 52910 1 580 . 1 . 1 48 48 ASP N N 15 129.839 0.400 . 1 . . . . . 47 ASP N . 52910 1 581 . 1 . 1 49 49 GLY H H 1 8.296 0.020 . 1 . . . . . 48 GLY H . 52910 1 582 . 1 . 1 49 49 GLY HA2 H 1 4.134 0.020 . 2 . . . . . 48 GLY HA2 . 52910 1 583 . 1 . 1 49 49 GLY HA3 H 1 3.451 0.020 . 2 . . . . . 48 GLY HA3 . 52910 1 584 . 1 . 1 49 49 GLY C C 13 173.125 0.400 . 1 . . . . . 48 GLY C . 52910 1 585 . 1 . 1 49 49 GLY CA C 13 45.356 0.400 . 1 . . . . . 48 GLY CA . 52910 1 586 . 1 . 1 49 49 GLY N N 15 103.444 0.400 . 1 . . . . . 48 GLY N . 52910 1 587 . 1 . 1 50 50 GLU H H 1 7.747 0.020 . 1 . . . . . 49 GLU H . 52910 1 588 . 1 . 1 50 50 GLU HA H 1 4.595 0.020 . 1 . . . . . 49 GLU HA . 52910 1 589 . 1 . 1 50 50 GLU HB2 H 1 2.103 0.020 . 2 . . . . . 49 GLU HB2 . 52910 1 590 . 1 . 1 50 50 GLU HB3 H 1 1.824 0.020 . 2 . . . . . 49 GLU HB3 . 52910 1 591 . 1 . 1 50 50 GLU HG2 H 1 2.247 0.020 . 2 . . . . . 49 GLU HG2 . 52910 1 592 . 1 . 1 50 50 GLU HG3 H 1 2.121 0.020 . 2 . . . . . 49 GLU HG3 . 52910 1 593 . 1 . 1 50 50 GLU C C 13 175.524 0.400 . 1 . . . . . 49 GLU C . 52910 1 594 . 1 . 1 50 50 GLU CA C 13 54.658 0.400 . 1 . . . . . 49 GLU CA . 52910 1 595 . 1 . 1 50 50 GLU CB C 13 31.958 0.400 . 1 . . . . . 49 GLU CB . 52910 1 596 . 1 . 1 50 50 GLU CG C 13 36.462 0.400 . 1 . . . . . 49 GLU CG . 52910 1 597 . 1 . 1 50 50 GLU N N 15 122.865 0.400 . 1 . . . . . 49 GLU N . 52910 1 598 . 1 . 1 51 51 THR H H 1 9.007 0.020 . 1 . . . . . 50 THR H . 52910 1 599 . 1 . 1 51 51 THR HA H 1 4.512 0.020 . 1 . . . . . 50 THR HA . 52910 1 600 . 1 . 1 51 51 THR HB H 1 4.127 0.020 . 1 . . . . . 50 THR HB . 52910 1 601 . 1 . 1 51 51 THR HG21 H 1 1.169 0.020 . 1 . . . . . 50 THR HG21 . 52910 1 602 . 1 . 1 51 51 THR HG22 H 1 1.169 0.020 . 1 . . . . . 50 THR HG22 . 52910 1 603 . 1 . 1 51 51 THR HG23 H 1 1.169 0.020 . 1 . . . . . 50 THR HG23 . 52910 1 604 . 1 . 1 51 51 THR C C 13 173.615 0.400 . 1 . . . . . 50 THR C . 52910 1 605 . 1 . 1 51 51 THR CA C 13 63.982 0.400 . 1 . . . . . 50 THR CA . 52910 1 606 . 1 . 1 51 51 THR CB C 13 68.235 0.400 . 1 . . . . . 50 THR CB . 52910 1 607 . 1 . 1 51 51 THR CG2 C 13 22.041 0.400 . 1 . . . . . 50 THR CG2 . 52910 1 608 . 1 . 1 51 51 THR N N 15 125.298 0.400 . 1 . . . . . 50 THR N . 52910 1 609 . 1 . 1 52 52 CYS H H 1 9.365 0.020 . 1 . . . . . 51 CYS H . 52910 1 610 . 1 . 1 52 52 CYS HA H 1 5.193 0.020 . 1 . . . . . 51 CYS HA . 52910 1 611 . 1 . 1 52 52 CYS HB2 H 1 2.757 0.020 . 2 . . . . . 51 CYS HB2 . 52910 1 612 . 1 . 1 52 52 CYS HB3 H 1 2.820 0.020 . 2 . . . . . 51 CYS HB3 . 52910 1 613 . 1 . 1 52 52 CYS C C 13 171.761 0.400 . 1 . . . . . 51 CYS C . 52910 1 614 . 1 . 1 52 52 CYS CA C 13 56.788 0.400 . 1 . . . . . 51 CYS CA . 52910 1 615 . 1 . 1 52 52 CYS CB C 13 31.217 0.400 . 1 . . . . . 51 CYS CB . 52910 1 616 . 1 . 1 52 52 CYS N N 15 125.404 0.400 . 1 . . . . . 51 CYS N . 52910 1 617 . 1 . 1 53 53 LEU H H 1 8.927 0.020 . 1 . . . . . 52 LEU H . 52910 1 618 . 1 . 1 53 53 LEU HA H 1 4.842 0.020 . 1 . . . . . 52 LEU HA . 52910 1 619 . 1 . 1 53 53 LEU HB2 H 1 1.633 0.020 . 2 . . . . . 52 LEU HB2 . 52910 1 620 . 1 . 1 53 53 LEU HB3 H 1 1.497 0.020 . 2 . . . . . 52 LEU HB3 . 52910 1 621 . 1 . 1 53 53 LEU HG H 1 1.482 0.020 . 1 . . . . . 52 LEU HG . 52910 1 622 . 1 . 1 53 53 LEU HD11 H 1 0.812 0.020 . 2 . . . . . 52 LEU HD11 . 52910 1 623 . 1 . 1 53 53 LEU HD12 H 1 0.812 0.020 . 2 . . . . . 52 LEU HD12 . 52910 1 624 . 1 . 1 53 53 LEU HD13 H 1 0.812 0.020 . 2 . . . . . 52 LEU HD13 . 52910 1 625 . 1 . 1 53 53 LEU C C 13 175.000 0.400 . 1 . . . . . 52 LEU C . 52910 1 626 . 1 . 1 53 53 LEU CA C 13 53.552 0.400 . 1 . . . . . 52 LEU CA . 52910 1 627 . 1 . 1 53 53 LEU CB C 13 43.700 0.400 . 1 . . . . . 52 LEU CB . 52910 1 628 . 1 . 1 53 53 LEU CG C 13 27.398 0.400 . 1 . . . . . 52 LEU CG . 52910 1 629 . 1 . 1 53 53 LEU CD1 C 13 24.416 0.400 . 2 . . . . . 52 LEU CD1 . 52910 1 630 . 1 . 1 53 53 LEU N N 15 123.215 0.400 . 1 . . . . . 52 LEU N . 52910 1 631 . 1 . 1 54 54 LEU H H 1 9.140 0.020 . 1 . . . . . 53 LEU H . 52910 1 632 . 1 . 1 54 54 LEU HA H 1 4.864 0.020 . 1 . . . . . 53 LEU HA . 52910 1 633 . 1 . 1 54 54 LEU HB2 H 1 2.005 0.020 . 2 . . . . . 53 LEU HB2 . 52910 1 634 . 1 . 1 54 54 LEU HB3 H 1 1.140 0.020 . 2 . . . . . 53 LEU HB3 . 52910 1 635 . 1 . 1 54 54 LEU HG H 1 1.838 0.020 . 1 . . . . . 53 LEU HG . 52910 1 636 . 1 . 1 54 54 LEU HD11 H 1 0.762 0.020 . 2 . . . . . 53 LEU HD11 . 52910 1 637 . 1 . 1 54 54 LEU HD12 H 1 0.762 0.020 . 2 . . . . . 53 LEU HD12 . 52910 1 638 . 1 . 1 54 54 LEU HD13 H 1 0.762 0.020 . 2 . . . . . 53 LEU HD13 . 52910 1 639 . 1 . 1 54 54 LEU HD21 H 1 0.752 0.020 . 2 . . . . . 53 LEU HD21 . 52910 1 640 . 1 . 1 54 54 LEU HD22 H 1 0.752 0.020 . 2 . . . . . 53 LEU HD22 . 52910 1 641 . 1 . 1 54 54 LEU HD23 H 1 0.752 0.020 . 2 . . . . . 53 LEU HD23 . 52910 1 642 . 1 . 1 54 54 LEU C C 13 174.387 0.400 . 1 . . . . . 53 LEU C . 52910 1 643 . 1 . 1 54 54 LEU CA C 13 53.650 0.400 . 1 . . . . . 53 LEU CA . 52910 1 644 . 1 . 1 54 54 LEU CB C 13 41.640 0.400 . 1 . . . . . 53 LEU CB . 52910 1 645 . 1 . 1 54 54 LEU CG C 13 27.014 0.400 . 1 . . . . . 53 LEU CG . 52910 1 646 . 1 . 1 54 54 LEU CD1 C 13 25.335 0.400 . 2 . . . . . 53 LEU CD1 . 52910 1 647 . 1 . 1 54 54 LEU CD2 C 13 24.345 0.400 . 2 . . . . . 53 LEU CD2 . 52910 1 648 . 1 . 1 54 54 LEU N N 15 124.200 0.400 . 1 . . . . . 53 LEU N . 52910 1 649 . 1 . 1 55 55 ASP H H 1 8.851 0.020 . 1 . . . . . 54 ASP H . 52910 1 650 . 1 . 1 55 55 ASP HA H 1 5.269 0.020 . 1 . . . . . 54 ASP HA . 52910 1 651 . 1 . 1 55 55 ASP HB2 H 1 2.463 0.020 . 2 . . . . . 54 ASP HB2 . 52910 1 652 . 1 . 1 55 55 ASP HB3 H 1 2.856 0.020 . 2 . . . . . 54 ASP HB3 . 52910 1 653 . 1 . 1 55 55 ASP C C 13 174.916 0.400 . 1 . . . . . 54 ASP C . 52910 1 654 . 1 . 1 55 55 ASP CA C 13 52.985 0.400 . 1 . . . . . 54 ASP CA . 52910 1 655 . 1 . 1 55 55 ASP CB C 13 41.880 0.400 . 1 . . . . . 54 ASP CB . 52910 1 656 . 1 . 1 55 55 ASP N N 15 126.337 0.400 . 1 . . . . . 54 ASP N . 52910 1 657 . 1 . 1 56 56 ILE H H 1 9.237 0.020 . 1 . . . . . 55 ILE H . 52910 1 658 . 1 . 1 56 56 ILE HA H 1 4.700 0.020 . 1 . . . . . 55 ILE HA . 52910 1 659 . 1 . 1 56 56 ILE HB H 1 1.666 0.020 . 1 . . . . . 55 ILE HB . 52910 1 660 . 1 . 1 56 56 ILE HG12 H 1 0.794 0.020 . 2 . . . . . 55 ILE HG12 . 52910 1 661 . 1 . 1 56 56 ILE HG13 H 1 1.504 0.020 . 2 . . . . . 55 ILE HG13 . 52910 1 662 . 1 . 1 56 56 ILE HG21 H 1 0.866 0.020 . 1 . . . . . 55 ILE HG21 . 52910 1 663 . 1 . 1 56 56 ILE HG22 H 1 0.866 0.020 . 1 . . . . . 55 ILE HG22 . 52910 1 664 . 1 . 1 56 56 ILE HG23 H 1 0.866 0.020 . 1 . . . . . 55 ILE HG23 . 52910 1 665 . 1 . 1 56 56 ILE HD11 H 1 0.533 0.020 . 1 . . . . . 55 ILE HD11 . 52910 1 666 . 1 . 1 56 56 ILE HD12 H 1 0.533 0.020 . 1 . . . . . 55 ILE HD12 . 52910 1 667 . 1 . 1 56 56 ILE HD13 H 1 0.533 0.020 . 1 . . . . . 55 ILE HD13 . 52910 1 668 . 1 . 1 56 56 ILE C C 13 174.135 0.400 . 1 . . . . . 55 ILE C . 52910 1 669 . 1 . 1 56 56 ILE CA C 13 60.629 0.400 . 1 . . . . . 55 ILE CA . 52910 1 670 . 1 . 1 56 56 ILE CB C 13 41.220 0.400 . 1 . . . . . 55 ILE CB . 52910 1 671 . 1 . 1 56 56 ILE CG1 C 13 28.154 0.400 . 1 . . . . . 55 ILE CG1 . 52910 1 672 . 1 . 1 56 56 ILE CG2 C 13 18.814 0.400 . 1 . . . . . 55 ILE CG2 . 52910 1 673 . 1 . 1 56 56 ILE CD1 C 13 14.913 0.400 . 1 . . . . . 55 ILE CD1 . 52910 1 674 . 1 . 1 56 56 ILE N N 15 124.172 0.400 . 1 . . . . . 55 ILE N . 52910 1 675 . 1 . 1 57 57 LEU H H 1 8.898 0.020 . 1 . . . . . 56 LEU H . 52910 1 676 . 1 . 1 57 57 LEU HA H 1 4.898 0.020 . 1 . . . . . 56 LEU HA . 52910 1 677 . 1 . 1 57 57 LEU HB2 H 1 1.759 0.020 . 2 . . . . . 56 LEU HB2 . 52910 1 678 . 1 . 1 57 57 LEU HG H 1 1.288 0.020 . 1 . . . . . 56 LEU HG . 52910 1 679 . 1 . 1 57 57 LEU HD11 H 1 0.815 0.020 . 2 . . . . . 56 LEU HD11 . 52910 1 680 . 1 . 1 57 57 LEU HD12 H 1 0.815 0.020 . 2 . . . . . 56 LEU HD12 . 52910 1 681 . 1 . 1 57 57 LEU HD13 H 1 0.815 0.020 . 2 . . . . . 56 LEU HD13 . 52910 1 682 . 1 . 1 57 57 LEU HD21 H 1 0.735 0.020 . 2 . . . . . 56 LEU HD21 . 52910 1 683 . 1 . 1 57 57 LEU HD22 H 1 0.735 0.020 . 2 . . . . . 56 LEU HD22 . 52910 1 684 . 1 . 1 57 57 LEU HD23 H 1 0.735 0.020 . 2 . . . . . 56 LEU HD23 . 52910 1 685 . 1 . 1 57 57 LEU C C 13 173.300 0.400 . 1 . . . . . 56 LEU C . 52910 1 686 . 1 . 1 57 57 LEU CA C 13 54.099 0.400 . 1 . . . . . 56 LEU CA . 52910 1 687 . 1 . 1 57 57 LEU CB C 13 44.001 0.400 . 1 . . . . . 56 LEU CB . 52910 1 688 . 1 . 1 57 57 LEU CG C 13 27.329 0.400 . 1 . . . . . 56 LEU CG . 52910 1 689 . 1 . 1 57 57 LEU CD1 C 13 24.024 0.400 . 2 . . . . . 56 LEU CD1 . 52910 1 690 . 1 . 1 57 57 LEU CD2 C 13 26.423 0.400 . 2 . . . . . 56 LEU CD2 . 52910 1 691 . 1 . 1 57 57 LEU N N 15 130.440 0.400 . 1 . . . . . 56 LEU N . 52910 1 692 . 1 . 1 58 58 ASP H H 1 9.265 0.020 . 1 . . . . . 57 ASP H . 52910 1 693 . 1 . 1 58 58 ASP HA H 1 4.881 0.020 . 1 . . . . . 57 ASP HA . 52910 1 694 . 1 . 1 58 58 ASP HB2 H 1 2.481 0.020 . 2 . . . . . 57 ASP HB2 . 52910 1 695 . 1 . 1 58 58 ASP HB3 H 1 2.928 0.020 . 2 . . . . . 57 ASP HB3 . 52910 1 696 . 1 . 1 58 58 ASP C C 13 176.134 0.400 . 1 . . . . . 57 ASP C . 52910 1 697 . 1 . 1 58 58 ASP CA C 13 53.601 0.400 . 1 . . . . . 57 ASP CA . 52910 1 698 . 1 . 1 58 58 ASP CB C 13 42.692 0.400 . 1 . . . . . 57 ASP CB . 52910 1 699 . 1 . 1 58 58 ASP N N 15 128.461 0.400 . 1 . . . . . 57 ASP N . 52910 1 700 . 1 . 1 59 59 THR H H 1 6.647 0.020 . 1 . . . . . 58 THR H . 52910 1 701 . 1 . 1 59 59 THR HA H 1 4.595 0.020 . 1 . . . . . 58 THR HA . 52910 1 702 . 1 . 1 59 59 THR HB H 1 4.185 0.020 . 1 . . . . . 58 THR HB . 52910 1 703 . 1 . 1 59 59 THR HG21 H 1 0.467 0.020 . 1 . . . . . 58 THR HG21 . 52910 1 704 . 1 . 1 59 59 THR HG22 H 1 0.467 0.020 . 1 . . . . . 58 THR HG22 . 52910 1 705 . 1 . 1 59 59 THR HG23 H 1 0.467 0.020 . 1 . . . . . 58 THR HG23 . 52910 1 706 . 1 . 1 59 59 THR C C 13 172.940 0.400 . 1 . . . . . 58 THR C . 52910 1 707 . 1 . 1 59 59 THR CA C 13 60.910 0.400 . 1 . . . . . 58 THR CA . 52910 1 708 . 1 . 1 59 59 THR CB C 13 72.899 0.400 . 1 . . . . . 58 THR CB . 52910 1 709 . 1 . 1 59 59 THR CG2 C 13 21.398 0.400 . 1 . . . . . 58 THR CG2 . 52910 1 710 . 1 . 1 59 59 THR N N 15 111.603 0.400 . 1 . . . . . 58 THR N . 52910 1 711 . 1 . 1 60 60 ALA H H 1 7.527 0.020 . 1 . . . . . 59 ALA H . 52910 1 712 . 1 . 1 60 60 ALA HA H 1 4.316 0.020 . 1 . . . . . 59 ALA HA . 52910 1 713 . 1 . 1 60 60 ALA HB1 H 1 1.649 0.020 . 1 . . . . . 59 ALA HB1 . 52910 1 714 . 1 . 1 60 60 ALA HB2 H 1 1.649 0.020 . 1 . . . . . 59 ALA HB2 . 52910 1 715 . 1 . 1 60 60 ALA HB3 H 1 1.649 0.020 . 1 . . . . . 59 ALA HB3 . 52910 1 716 . 1 . 1 60 60 ALA C C 13 179.323 0.400 . 1 . . . . . 59 ALA C . 52910 1 717 . 1 . 1 60 60 ALA CA C 13 52.440 0.400 . 1 . . . . . 59 ALA CA . 52910 1 718 . 1 . 1 60 60 ALA CB C 13 21.107 0.400 . 1 . . . . . 59 ALA CB . 52910 1 719 . 1 . 1 60 60 ALA N N 15 119.574 0.400 . 1 . . . . . 59 ALA N . 52910 1 720 . 1 . 1 61 61 GLY H H 1 9.841 0.020 . 1 . . . . . 60 GLY H . 52910 1 721 . 1 . 1 61 61 GLY HA2 H 1 4.656 0.020 . 2 . . . . . 60 GLY HA2 . 52910 1 722 . 1 . 1 61 61 GLY HA3 H 1 3.578 0.020 . 2 . . . . . 60 GLY HA3 . 52910 1 723 . 1 . 1 61 61 GLY C C 13 175.944 0.400 . 1 . . . . . 60 GLY C . 52910 1 724 . 1 . 1 61 61 GLY CA C 13 45.452 0.400 . 1 . . . . . 60 GLY CA . 52910 1 725 . 1 . 1 61 61 GLY N N 15 113.928 0.400 . 1 . . . . . 60 GLY N . 52910 1 726 . 1 . 1 62 62 ARG H H 1 7.704 0.020 . 1 . . . . . 61 ARG H . 52910 1 727 . 1 . 1 62 62 ARG HA H 1 4.455 0.020 . 1 . . . . . 61 ARG HA . 52910 1 728 . 1 . 1 62 62 ARG HB2 H 1 2.383 0.020 . 2 . . . . . 61 ARG HB2 . 52910 1 729 . 1 . 1 62 62 ARG HG2 H 1 1.987 0.020 . 2 . . . . . 61 ARG HG2 . 52910 1 730 . 1 . 1 62 62 ARG HG3 H 1 2.078 0.020 . 2 . . . . . 61 ARG HG3 . 52910 1 731 . 1 . 1 62 62 ARG HD2 H 1 3.411 0.020 . 2 . . . . . 61 ARG HD2 . 52910 1 732 . 1 . 1 62 62 ARG HE H 1 8.387 0.020 . 1 . . . . . 61 ARG HE . 52910 1 733 . 1 . 1 62 62 ARG C C 13 178.916 0.400 . 1 . . . . . 61 ARG C . 52910 1 734 . 1 . 1 62 62 ARG CA C 13 57.583 0.400 . 1 . . . . . 61 ARG CA . 52910 1 735 . 1 . 1 62 62 ARG CB C 13 30.937 0.400 . 1 . . . . . 61 ARG CB . 52910 1 736 . 1 . 1 62 62 ARG CG C 13 27.217 0.400 . 1 . . . . . 61 ARG CG . 52910 1 737 . 1 . 1 62 62 ARG CD C 13 43.729 0.400 . 1 . . . . . 61 ARG CD . 52910 1 738 . 1 . 1 62 62 ARG N N 15 120.251 0.400 . 1 . . . . . 61 ARG N . 52910 1 739 . 1 . 1 62 62 ARG NE N 15 85.342 0.400 . 1 . . . . . 61 ARG NE . 52910 1 740 . 1 . 1 63 63 GLU H H 1 9.328 0.020 . 1 . . . . . 62 GLU H . 52910 1 741 . 1 . 1 63 63 GLU HA H 1 3.942 0.020 . 1 . . . . . 62 GLU HA . 52910 1 742 . 1 . 1 63 63 GLU HB2 H 1 2.121 0.020 . 2 . . . . . 62 GLU HB2 . 52910 1 743 . 1 . 1 63 63 GLU HG2 H 1 2.439 0.020 . 2 . . . . . 62 GLU HG2 . 52910 1 744 . 1 . 1 63 63 GLU C C 13 178.185 0.400 . 1 . . . . . 62 GLU C . 52910 1 745 . 1 . 1 63 63 GLU CA C 13 59.610 0.400 . 1 . . . . . 62 GLU CA . 52910 1 746 . 1 . 1 63 63 GLU CB C 13 29.492 0.400 . 1 . . . . . 62 GLU CB . 52910 1 747 . 1 . 1 63 63 GLU CG C 13 36.486 0.400 . 1 . . . . . 62 GLU CG . 52910 1 748 . 1 . 1 63 63 GLU N N 15 126.347 0.400 . 1 . . . . . 62 GLU N . 52910 1 749 . 1 . 1 64 64 GLU H H 1 9.882 0.020 . 1 . . . . . 63 GLU H . 52910 1 750 . 1 . 1 64 64 GLU HA H 1 4.161 0.020 . 1 . . . . . 63 GLU HA . 52910 1 751 . 1 . 1 64 64 GLU HB2 H 1 1.733 0.020 . 2 . . . . . 63 GLU HB2 . 52910 1 752 . 1 . 1 64 64 GLU HB3 H 1 1.828 0.020 . 2 . . . . . 63 GLU HB3 . 52910 1 753 . 1 . 1 64 64 GLU HG2 H 1 1.892 0.020 . 2 . . . . . 63 GLU HG2 . 52910 1 754 . 1 . 1 64 64 GLU HG3 H 1 1.974 0.020 . 2 . . . . . 63 GLU HG3 . 52910 1 755 . 1 . 1 64 64 GLU C C 13 177.062 0.400 . 1 . . . . . 63 GLU C . 52910 1 756 . 1 . 1 64 64 GLU CA C 13 58.914 0.400 . 1 . . . . . 63 GLU CA . 52910 1 757 . 1 . 1 64 64 GLU CB C 13 28.337 0.400 . 1 . . . . . 63 GLU CB . 52910 1 758 . 1 . 1 64 64 GLU CG C 13 36.120 0.400 . 1 . . . . . 63 GLU CG . 52910 1 759 . 1 . 1 64 64 GLU N N 15 119.541 0.400 . 1 . . . . . 63 GLU N . 52910 1 760 . 1 . 1 65 65 TYR H H 1 7.591 0.020 . 1 . . . . . 64 TYR H . 52910 1 761 . 1 . 1 65 65 TYR HA H 1 4.802 0.020 . 1 . . . . . 64 TYR HA . 52910 1 762 . 1 . 1 65 65 TYR HB2 H 1 2.641 0.020 . 2 . . . . . 64 TYR HB2 . 52910 1 763 . 1 . 1 65 65 TYR HB3 H 1 3.729 0.020 . 2 . . . . . 64 TYR HB3 . 52910 1 764 . 1 . 1 65 65 TYR HD1 H 1 7.118 0.020 . 1 . . . . . 64 TYR HD1 . 52910 1 765 . 1 . 1 65 65 TYR HD2 H 1 7.118 0.020 . 1 . . . . . 64 TYR HD2 . 52910 1 766 . 1 . 1 65 65 TYR HE1 H 1 6.721 0.020 . 1 . . . . . 64 TYR HE1 . 52910 1 767 . 1 . 1 65 65 TYR HE2 H 1 6.721 0.020 . 1 . . . . . 64 TYR HE2 . 52910 1 768 . 1 . 1 65 65 TYR C C 13 177.100 0.400 . 1 . . . . . 64 TYR C . 52910 1 769 . 1 . 1 65 65 TYR CA C 13 58.461 0.400 . 1 . . . . . 64 TYR CA . 52910 1 770 . 1 . 1 65 65 TYR CB C 13 38.166 0.400 . 1 . . . . . 64 TYR CB . 52910 1 771 . 1 . 1 65 65 TYR CD1 C 13 132.748 0.400 . 3 . . . . . 64 TYR CD1 . 52910 1 772 . 1 . 1 65 65 TYR CE1 C 13 118.169 0.400 . 3 . . . . . 64 TYR CE1 . 52910 1 773 . 1 . 1 65 65 TYR N N 15 118.562 0.400 . 1 . . . . . 64 TYR N . 52910 1 774 . 1 . 1 66 66 SER H H 1 8.032 0.020 . 1 . . . . . 65 SER H . 52910 1 775 . 1 . 1 66 66 SER HA H 1 4.139 0.020 . 1 . . . . . 65 SER HA . 52910 1 776 . 1 . 1 66 66 SER HB2 H 1 4.056 0.020 . 2 . . . . . 65 SER HB2 . 52910 1 777 . 1 . 1 66 66 SER C C 13 176.555 0.400 . 1 . . . . . 65 SER C . 52910 1 778 . 1 . 1 66 66 SER CA C 13 61.863 0.400 . 1 . . . . . 65 SER CA . 52910 1 779 . 1 . 1 66 66 SER CB C 13 62.835 0.400 . 1 . . . . . 65 SER CB . 52910 1 780 . 1 . 1 66 66 SER N N 15 118.285 0.400 . 1 . . . . . 65 SER N . 52910 1 781 . 1 . 1 67 67 ALA H H 1 8.844 0.020 . 1 . . . . . 66 ALA H . 52910 1 782 . 1 . 1 67 67 ALA HA H 1 4.282 0.020 . 1 . . . . . 66 ALA HA . 52910 1 783 . 1 . 1 67 67 ALA HB1 H 1 1.468 0.020 . 1 . . . . . 66 ALA HB1 . 52910 1 784 . 1 . 1 67 67 ALA HB2 H 1 1.468 0.020 . 1 . . . . . 66 ALA HB2 . 52910 1 785 . 1 . 1 67 67 ALA HB3 H 1 1.468 0.020 . 1 . . . . . 66 ALA HB3 . 52910 1 786 . 1 . 1 67 67 ALA C C 13 179.286 0.400 . 1 . . . . . 66 ALA C . 52910 1 787 . 1 . 1 67 67 ALA CA C 13 54.606 0.400 . 1 . . . . . 66 ALA CA . 52910 1 788 . 1 . 1 67 67 ALA CB C 13 18.301 0.400 . 1 . . . . . 66 ALA CB . 52910 1 789 . 1 . 1 67 67 ALA N N 15 125.278 0.400 . 1 . . . . . 66 ALA N . 52910 1 790 . 1 . 1 68 68 MET H H 1 7.822 0.020 . 1 . . . . . 67 MET H . 52910 1 791 . 1 . 1 68 68 MET HA H 1 4.374 0.020 . 1 . . . . . 67 MET HA . 52910 1 792 . 1 . 1 68 68 MET HB2 H 1 2.378 0.020 . 2 . . . . . 67 MET HB2 . 52910 1 793 . 1 . 1 68 68 MET HB3 H 1 2.580 0.020 . 2 . . . . . 67 MET HB3 . 52910 1 794 . 1 . 1 68 68 MET HG2 H 1 2.699 0.020 . 2 . . . . . 67 MET HG2 . 52910 1 795 . 1 . 1 68 68 MET HG3 H 1 2.845 0.020 . 2 . . . . . 67 MET HG3 . 52910 1 796 . 1 . 1 68 68 MET HE1 H 1 2.189 0.020 . 1 . . . . . 67 MET HE1 . 52910 1 797 . 1 . 1 68 68 MET HE2 H 1 2.189 0.020 . 1 . . . . . 67 MET HE2 . 52910 1 798 . 1 . 1 68 68 MET HE3 H 1 2.189 0.020 . 1 . . . . . 67 MET HE3 . 52910 1 799 . 1 . 1 68 68 MET C C 13 177.038 0.400 . 1 . . . . . 67 MET C . 52910 1 800 . 1 . 1 68 68 MET CA C 13 57.271 0.400 . 1 . . . . . 67 MET CA . 52910 1 801 . 1 . 1 68 68 MET CB C 13 33.122 0.400 . 1 . . . . . 67 MET CB . 52910 1 802 . 1 . 1 68 68 MET CG C 13 32.743 0.400 . 1 . . . . . 67 MET CG . 52910 1 803 . 1 . 1 68 68 MET CE C 13 17.361 0.400 . 1 . . . . . 67 MET CE . 52910 1 804 . 1 . 1 68 68 MET N N 15 115.525 0.400 . 1 . . . . . 67 MET N . 52910 1 805 . 1 . 1 69 69 ARG H H 1 7.639 0.020 . 1 . . . . . 68 ARG H . 52910 1 806 . 1 . 1 69 69 ARG HA H 1 3.397 0.020 . 1 . . . . . 68 ARG HA . 52910 1 807 . 1 . 1 69 69 ARG HB2 H 1 1.749 0.020 . 2 . . . . . 68 ARG HB2 . 52910 1 808 . 1 . 1 69 69 ARG HB3 H 1 1.798 0.020 . 2 . . . . . 68 ARG HB3 . 52910 1 809 . 1 . 1 69 69 ARG HG2 H 1 1.943 0.020 . 2 . . . . . 68 ARG HG2 . 52910 1 810 . 1 . 1 69 69 ARG HG3 H 1 2.054 0.020 . 2 . . . . . 68 ARG HG3 . 52910 1 811 . 1 . 1 69 69 ARG HD2 H 1 3.202 0.020 . 2 . . . . . 68 ARG HD2 . 52910 1 812 . 1 . 1 69 69 ARG HE H 1 7.015 0.020 . 1 . . . . . 68 ARG HE . 52910 1 813 . 1 . 1 69 69 ARG C C 13 177.089 0.400 . 1 . . . . . 68 ARG C . 52910 1 814 . 1 . 1 69 69 ARG CA C 13 59.170 0.400 . 1 . . . . . 68 ARG CA . 52910 1 815 . 1 . 1 69 69 ARG CB C 13 30.525 0.400 . 1 . . . . . 68 ARG CB . 52910 1 816 . 1 . 1 69 69 ARG CG C 13 28.171 0.400 . 1 . . . . . 68 ARG CG . 52910 1 817 . 1 . 1 69 69 ARG CD C 13 44.526 0.400 . 1 . . . . . 68 ARG CD . 52910 1 818 . 1 . 1 69 69 ARG N N 15 117.881 0.400 . 1 . . . . . 68 ARG N . 52910 1 819 . 1 . 1 69 69 ARG NE N 15 83.574 0.400 . 1 . . . . . 68 ARG NE . 52910 1 820 . 1 . 1 70 70 ASP H H 1 7.925 0.020 . 1 . . . . . 69 ASP H . 52910 1 821 . 1 . 1 70 70 ASP HA H 1 4.030 0.020 . 1 . . . . . 69 ASP HA . 52910 1 822 . 1 . 1 70 70 ASP HB2 H 1 2.519 0.020 . 2 . . . . . 69 ASP HB2 . 52910 1 823 . 1 . 1 70 70 ASP HB3 H 1 2.612 0.020 . 2 . . . . . 69 ASP HB3 . 52910 1 824 . 1 . 1 70 70 ASP C C 13 177.626 0.400 . 1 . . . . . 69 ASP C . 52910 1 825 . 1 . 1 70 70 ASP CA C 13 57.980 0.400 . 1 . . . . . 69 ASP CA . 52910 1 826 . 1 . 1 70 70 ASP CB C 13 40.567 0.400 . 1 . . . . . 69 ASP CB . 52910 1 827 . 1 . 1 70 70 ASP N N 15 116.781 0.400 . 1 . . . . . 69 ASP N . 52910 1 828 . 1 . 1 71 71 GLN H H 1 7.698 0.020 . 1 . . . . . 70 GLN H . 52910 1 829 . 1 . 1 71 71 GLN HA H 1 4.109 0.020 . 1 . . . . . 70 GLN HA . 52910 1 830 . 1 . 1 71 71 GLN HB2 H 1 2.097 0.020 . 2 . . . . . 70 GLN HB2 . 52910 1 831 . 1 . 1 71 71 GLN HB3 H 1 2.175 0.020 . 2 . . . . . 70 GLN HB3 . 52910 1 832 . 1 . 1 71 71 GLN HG2 H 1 2.354 0.020 . 2 . . . . . 70 GLN HG2 . 52910 1 833 . 1 . 1 71 71 GLN HG3 H 1 2.416 0.020 . 2 . . . . . 70 GLN HG3 . 52910 1 834 . 1 . 1 71 71 GLN HE21 H 1 7.609 0.020 . 2 . . . . . 70 GLN HE21 . 52910 1 835 . 1 . 1 71 71 GLN HE22 H 1 6.935 0.020 . 2 . . . . . 70 GLN HE22 . 52910 1 836 . 1 . 1 71 71 GLN C C 13 178.621 0.400 . 1 . . . . . 70 GLN C . 52910 1 837 . 1 . 1 71 71 GLN CA C 13 58.912 0.400 . 1 . . . . . 70 GLN CA . 52910 1 838 . 1 . 1 71 71 GLN CB C 13 28.364 0.400 . 1 . . . . . 70 GLN CB . 52910 1 839 . 1 . 1 71 71 GLN CG C 13 33.661 0.400 . 1 . . . . . 70 GLN CG . 52910 1 840 . 1 . 1 71 71 GLN N N 15 114.752 0.400 . 1 . . . . . 70 GLN N . 52910 1 841 . 1 . 1 71 71 GLN NE2 N 15 112.734 0.400 . 1 . . . . . 70 GLN NE2 . 52910 1 842 . 1 . 1 72 72 TYR H H 1 7.391 0.020 . 1 . . . . . 71 TYR H . 52910 1 843 . 1 . 1 72 72 TYR HA H 1 4.714 0.020 . 1 . . . . . 71 TYR HA . 52910 1 844 . 1 . 1 72 72 TYR HB2 H 1 3.007 0.020 . 2 . . . . . 71 TYR HB2 . 52910 1 845 . 1 . 1 72 72 TYR HB3 H 1 3.219 0.020 . 2 . . . . . 71 TYR HB3 . 52910 1 846 . 1 . 1 72 72 TYR HD1 H 1 7.056 0.020 . 1 . . . . . 71 TYR HD1 . 52910 1 847 . 1 . 1 72 72 TYR HD2 H 1 7.056 0.020 . 1 . . . . . 71 TYR HD2 . 52910 1 848 . 1 . 1 72 72 TYR HE1 H 1 6.877 0.020 . 1 . . . . . 71 TYR HE1 . 52910 1 849 . 1 . 1 72 72 TYR HE2 H 1 6.877 0.020 . 1 . . . . . 71 TYR HE2 . 52910 1 850 . 1 . 1 72 72 TYR C C 13 179.261 0.400 . 1 . . . . . 71 TYR C . 52910 1 851 . 1 . 1 72 72 TYR CA C 13 59.085 0.400 . 1 . . . . . 71 TYR CA . 52910 1 852 . 1 . 1 72 72 TYR CB C 13 37.017 0.400 . 1 . . . . . 71 TYR CB . 52910 1 853 . 1 . 1 72 72 TYR CD2 C 13 134.508 0.400 . 3 . . . . . 71 TYR CD2 . 52910 1 854 . 1 . 1 72 72 TYR CE2 C 13 118.272 0.400 . 3 . . . . . 71 TYR CE2 . 52910 1 855 . 1 . 1 72 72 TYR N N 15 115.810 0.400 . 1 . . . . . 71 TYR N . 52910 1 856 . 1 . 1 73 73 MET H H 1 8.506 0.020 . 1 . . . . . 72 MET H . 52910 1 857 . 1 . 1 73 73 MET HA H 1 4.433 0.020 . 1 . . . . . 72 MET HA . 52910 1 858 . 1 . 1 73 73 MET HB2 H 1 1.737 0.020 . 2 . . . . . 72 MET HB2 . 52910 1 859 . 1 . 1 73 73 MET HB3 H 1 2.027 0.020 . 2 . . . . . 72 MET HB3 . 52910 1 860 . 1 . 1 73 73 MET HG2 H 1 2.964 0.020 . 2 . . . . . 72 MET HG2 . 52910 1 861 . 1 . 1 73 73 MET HG3 H 1 2.086 0.020 . 2 . . . . . 72 MET HG3 . 52910 1 862 . 1 . 1 73 73 MET HE1 H 1 2.055 0.020 . 1 . . . . . 72 MET HE1 . 52910 1 863 . 1 . 1 73 73 MET HE2 H 1 2.055 0.020 . 1 . . . . . 72 MET HE2 . 52910 1 864 . 1 . 1 73 73 MET HE3 H 1 2.055 0.020 . 1 . . . . . 72 MET HE3 . 52910 1 865 . 1 . 1 73 73 MET C C 13 176.559 0.400 . 1 . . . . . 72 MET C . 52910 1 866 . 1 . 1 73 73 MET CA C 13 59.551 0.400 . 1 . . . . . 72 MET CA . 52910 1 867 . 1 . 1 73 73 MET CB C 13 31.917 0.400 . 1 . . . . . 72 MET CB . 52910 1 868 . 1 . 1 73 73 MET CG C 13 35.652 0.400 . 1 . . . . . 72 MET CG . 52910 1 869 . 1 . 1 73 73 MET CE C 13 19.047 0.400 . 1 . . . . . 72 MET CE . 52910 1 870 . 1 . 1 73 73 MET N N 15 122.820 0.400 . 1 . . . . . 72 MET N . 52910 1 871 . 1 . 1 74 74 ARG H H 1 7.722 0.020 . 1 . . . . . 73 ARG H . 52910 1 872 . 1 . 1 74 74 ARG HA H 1 3.932 0.020 . 1 . . . . . 73 ARG HA . 52910 1 873 . 1 . 1 74 74 ARG HB2 H 1 1.933 0.020 . 2 . . . . . 73 ARG HB2 . 52910 1 874 . 1 . 1 74 74 ARG HG2 H 1 1.611 0.020 . 2 . . . . . 73 ARG HG2 . 52910 1 875 . 1 . 1 74 74 ARG HG3 H 1 1.795 0.020 . 2 . . . . . 73 ARG HG3 . 52910 1 876 . 1 . 1 74 74 ARG HD2 H 1 3.174 0.020 . 2 . . . . . 73 ARG HD2 . 52910 1 877 . 1 . 1 74 74 ARG HD3 H 1 3.265 0.020 . 2 . . . . . 73 ARG HD3 . 52910 1 878 . 1 . 1 74 74 ARG HE H 1 7.341 0.020 . 1 . . . . . 73 ARG HE . 52910 1 879 . 1 . 1 74 74 ARG C C 13 178.413 0.400 . 1 . . . . . 73 ARG C . 52910 1 880 . 1 . 1 74 74 ARG CA C 13 59.658 0.400 . 1 . . . . . 73 ARG CA . 52910 1 881 . 1 . 1 74 74 ARG CB C 13 30.616 0.400 . 1 . . . . . 73 ARG CB . 52910 1 882 . 1 . 1 74 74 ARG CG C 13 28.547 0.400 . 1 . . . . . 73 ARG CG . 52910 1 883 . 1 . 1 74 74 ARG CD C 13 43.412 0.400 . 1 . . . . . 73 ARG CD . 52910 1 884 . 1 . 1 74 74 ARG N N 15 116.775 0.400 . 1 . . . . . 73 ARG N . 52910 1 885 . 1 . 1 74 74 ARG NE N 15 84.667 0.400 . 1 . . . . . 73 ARG NE . 52910 1 886 . 1 . 1 75 75 THR H H 1 7.477 0.020 . 1 . . . . . 74 THR H . 52910 1 887 . 1 . 1 75 75 THR HA H 1 4.194 0.020 . 1 . . . . . 74 THR HA . 52910 1 888 . 1 . 1 75 75 THR HB H 1 4.258 0.020 . 1 . . . . . 74 THR HB . 52910 1 889 . 1 . 1 75 75 THR HG21 H 1 1.255 0.020 . 1 . . . . . 74 THR HG21 . 52910 1 890 . 1 . 1 75 75 THR HG22 H 1 1.255 0.020 . 1 . . . . . 74 THR HG22 . 52910 1 891 . 1 . 1 75 75 THR HG23 H 1 1.255 0.020 . 1 . . . . . 74 THR HG23 . 52910 1 892 . 1 . 1 75 75 THR C C 13 176.169 0.400 . 1 . . . . . 74 THR C . 52910 1 893 . 1 . 1 75 75 THR CA C 13 63.218 0.400 . 1 . . . . . 74 THR CA . 52910 1 894 . 1 . 1 75 75 THR CB C 13 69.672 0.400 . 1 . . . . . 74 THR CB . 52910 1 895 . 1 . 1 75 75 THR CG2 C 13 22.043 0.400 . 1 . . . . . 74 THR CG2 . 52910 1 896 . 1 . 1 75 75 THR N N 15 108.355 0.400 . 1 . . . . . 74 THR N . 52910 1 897 . 1 . 1 76 76 GLY H H 1 7.898 0.020 . 1 . . . . . 75 GLY H . 52910 1 898 . 1 . 1 76 76 GLY HA2 H 1 3.236 0.020 . 2 . . . . . 75 GLY HA2 . 52910 1 899 . 1 . 1 76 76 GLY HA3 H 1 3.581 0.020 . 2 . . . . . 75 GLY HA3 . 52910 1 900 . 1 . 1 76 76 GLY C C 13 172.229 0.400 . 1 . . . . . 75 GLY C . 52910 1 901 . 1 . 1 76 76 GLY CA C 13 46.666 0.400 . 1 . . . . . 75 GLY CA . 52910 1 902 . 1 . 1 76 76 GLY N N 15 107.578 0.400 . 1 . . . . . 75 GLY N . 52910 1 903 . 1 . 1 77 77 GLU H H 1 8.375 0.020 . 1 . . . . . 76 GLU H . 52910 1 904 . 1 . 1 77 77 GLU HA H 1 4.526 0.020 . 1 . . . . . 76 GLU HA . 52910 1 905 . 1 . 1 77 77 GLU HB2 H 1 2.435 0.020 . 2 . . . . . 76 GLU HB2 . 52910 1 906 . 1 . 1 77 77 GLU HB3 H 1 2.117 0.020 . 2 . . . . . 76 GLU HB3 . 52910 1 907 . 1 . 1 77 77 GLU HG2 H 1 2.479 0.020 . 2 . . . . . 76 GLU HG2 . 52910 1 908 . 1 . 1 77 77 GLU HG3 H 1 2.382 0.020 . 2 . . . . . 76 GLU HG3 . 52910 1 909 . 1 . 1 77 77 GLU C C 13 176.374 0.400 . 1 . . . . . 76 GLU C . 52910 1 910 . 1 . 1 77 77 GLU CA C 13 56.668 0.400 . 1 . . . . . 76 GLU CA . 52910 1 911 . 1 . 1 77 77 GLU CB C 13 32.014 0.400 . 1 . . . . . 76 GLU CB . 52910 1 912 . 1 . 1 77 77 GLU CG C 13 38.187 0.400 . 1 . . . . . 76 GLU CG . 52910 1 913 . 1 . 1 77 77 GLU N N 15 120.129 0.400 . 1 . . . . . 76 GLU N . 52910 1 914 . 1 . 1 78 78 GLY H H 1 7.177 0.020 . 1 . . . . . 77 GLY H . 52910 1 915 . 1 . 1 78 78 GLY HA2 H 1 4.912 0.020 . 2 . . . . . 77 GLY HA2 . 52910 1 916 . 1 . 1 78 78 GLY HA3 H 1 3.145 0.020 . 2 . . . . . 77 GLY HA3 . 52910 1 917 . 1 . 1 78 78 GLY C C 13 170.991 0.400 . 1 . . . . . 77 GLY C . 52910 1 918 . 1 . 1 78 78 GLY CA C 13 45.441 0.400 . 1 . . . . . 77 GLY CA . 52910 1 919 . 1 . 1 78 78 GLY N N 15 101.080 0.400 . 1 . . . . . 77 GLY N . 52910 1 920 . 1 . 1 79 79 PHE H H 1 8.170 0.020 . 1 . . . . . 78 PHE H . 52910 1 921 . 1 . 1 79 79 PHE HA H 1 5.452 0.020 . 1 . . . . . 78 PHE HA . 52910 1 922 . 1 . 1 79 79 PHE HB2 H 1 2.712 0.020 . 2 . . . . . 78 PHE HB2 . 52910 1 923 . 1 . 1 79 79 PHE HB3 H 1 2.780 0.020 . 2 . . . . . 78 PHE HB3 . 52910 1 924 . 1 . 1 79 79 PHE HD1 H 1 7.119 0.020 . 1 . . . . . 78 PHE HD1 . 52910 1 925 . 1 . 1 79 79 PHE HD2 H 1 7.119 0.020 . 1 . . . . . 78 PHE HD2 . 52910 1 926 . 1 . 1 79 79 PHE HE1 H 1 7.063 0.020 . 1 . . . . . 78 PHE HE1 . 52910 1 927 . 1 . 1 79 79 PHE HE2 H 1 7.063 0.020 . 1 . . . . . 78 PHE HE2 . 52910 1 928 . 1 . 1 79 79 PHE HZ H 1 7.654 0.020 . 1 . . . . . 78 PHE HZ . 52910 1 929 . 1 . 1 79 79 PHE C C 13 173.536 0.400 . 1 . . . . . 78 PHE C . 52910 1 930 . 1 . 1 79 79 PHE CA C 13 57.061 0.400 . 1 . . . . . 78 PHE CA . 52910 1 931 . 1 . 1 79 79 PHE CB C 13 42.668 0.400 . 1 . . . . . 78 PHE CB . 52910 1 932 . 1 . 1 79 79 PHE CD1 C 13 132.495 0.400 . 3 . . . . . 78 PHE CD1 . 52910 1 933 . 1 . 1 79 79 PHE CE1 C 13 130.490 0.400 . 3 . . . . . 78 PHE CE1 . 52910 1 934 . 1 . 1 79 79 PHE CZ C 13 129.785 0.400 . 1 . . . . . 78 PHE CZ . 52910 1 935 . 1 . 1 79 79 PHE N N 15 120.692 0.400 . 1 . . . . . 78 PHE N . 52910 1 936 . 1 . 1 80 80 LEU H H 1 9.313 0.020 . 1 . . . . . 79 LEU H . 52910 1 937 . 1 . 1 80 80 LEU HA H 1 4.601 0.020 . 1 . . . . . 79 LEU HA . 52910 1 938 . 1 . 1 80 80 LEU HB2 H 1 1.074 0.020 . 2 . . . . . 79 LEU HB2 . 52910 1 939 . 1 . 1 80 80 LEU HB3 H 1 1.745 0.020 . 2 . . . . . 79 LEU HB3 . 52910 1 940 . 1 . 1 80 80 LEU HG H 1 1.037 0.020 . 1 . . . . . 79 LEU HG . 52910 1 941 . 1 . 1 80 80 LEU HD11 H 1 0.036 0.020 . 2 . . . . . 79 LEU HD11 . 52910 1 942 . 1 . 1 80 80 LEU HD12 H 1 0.036 0.020 . 2 . . . . . 79 LEU HD12 . 52910 1 943 . 1 . 1 80 80 LEU HD13 H 1 0.036 0.020 . 2 . . . . . 79 LEU HD13 . 52910 1 944 . 1 . 1 80 80 LEU HD21 H 1 0.197 0.020 . 2 . . . . . 79 LEU HD21 . 52910 1 945 . 1 . 1 80 80 LEU HD22 H 1 0.197 0.020 . 2 . . . . . 79 LEU HD22 . 52910 1 946 . 1 . 1 80 80 LEU HD23 H 1 0.197 0.020 . 2 . . . . . 79 LEU HD23 . 52910 1 947 . 1 . 1 80 80 LEU C C 13 174.551 0.400 . 1 . . . . . 79 LEU C . 52910 1 948 . 1 . 1 80 80 LEU CA C 13 53.914 0.400 . 1 . . . . . 79 LEU CA . 52910 1 949 . 1 . 1 80 80 LEU CB C 13 42.974 0.400 . 1 . . . . . 79 LEU CB . 52910 1 950 . 1 . 1 80 80 LEU CG C 13 27.016 0.400 . 1 . . . . . 79 LEU CG . 52910 1 951 . 1 . 1 80 80 LEU CD1 C 13 24.834 0.400 . 2 . . . . . 79 LEU CD1 . 52910 1 952 . 1 . 1 80 80 LEU CD2 C 13 25.523 0.400 . 2 . . . . . 79 LEU CD2 . 52910 1 953 . 1 . 1 80 80 LEU N N 15 128.068 0.400 . 1 . . . . . 79 LEU N . 52910 1 954 . 1 . 1 81 81 CYS H H 1 8.808 0.020 . 1 . . . . . 80 CYS H . 52910 1 955 . 1 . 1 81 81 CYS HA H 1 4.700 0.020 . 1 . . . . . 80 CYS HA . 52910 1 956 . 1 . 1 81 81 CYS HB2 H 1 2.633 0.020 . 2 . . . . . 80 CYS HB2 . 52910 1 957 . 1 . 1 81 81 CYS HB3 H 1 3.065 0.020 . 2 . . . . . 80 CYS HB3 . 52910 1 958 . 1 . 1 81 81 CYS C C 13 172.866 0.400 . 1 . . . . . 80 CYS C . 52910 1 959 . 1 . 1 81 81 CYS CA C 13 57.797 0.400 . 1 . . . . . 80 CYS CA . 52910 1 960 . 1 . 1 81 81 CYS CB C 13 27.572 0.400 . 1 . . . . . 80 CYS CB . 52910 1 961 . 1 . 1 81 81 CYS N N 15 125.034 0.400 . 1 . . . . . 80 CYS N . 52910 1 962 . 1 . 1 82 82 VAL H H 1 9.181 0.020 . 1 . . . . . 81 VAL H . 52910 1 963 . 1 . 1 82 82 VAL HA H 1 4.920 0.020 . 1 . . . . . 81 VAL HA . 52910 1 964 . 1 . 1 82 82 VAL HB H 1 1.755 0.020 . 1 . . . . . 81 VAL HB . 52910 1 965 . 1 . 1 82 82 VAL HG11 H 1 0.517 0.020 . 2 . . . . . 81 VAL HG11 . 52910 1 966 . 1 . 1 82 82 VAL HG12 H 1 0.517 0.020 . 2 . . . . . 81 VAL HG12 . 52910 1 967 . 1 . 1 82 82 VAL HG13 H 1 0.517 0.020 . 2 . . . . . 81 VAL HG13 . 52910 1 968 . 1 . 1 82 82 VAL HG21 H 1 0.645 0.020 . 2 . . . . . 81 VAL HG21 . 52910 1 969 . 1 . 1 82 82 VAL HG22 H 1 0.645 0.020 . 2 . . . . . 81 VAL HG22 . 52910 1 970 . 1 . 1 82 82 VAL HG23 H 1 0.645 0.020 . 2 . . . . . 81 VAL HG23 . 52910 1 971 . 1 . 1 82 82 VAL C C 13 175.116 0.400 . 1 . . . . . 81 VAL C . 52910 1 972 . 1 . 1 82 82 VAL CA C 13 61.365 0.400 . 1 . . . . . 81 VAL CA . 52910 1 973 . 1 . 1 82 82 VAL CB C 13 33.427 0.400 . 1 . . . . . 81 VAL CB . 52910 1 974 . 1 . 1 82 82 VAL CG1 C 13 22.702 0.400 . 2 . . . . . 81 VAL CG1 . 52910 1 975 . 1 . 1 82 82 VAL CG2 C 13 21.784 0.400 . 2 . . . . . 81 VAL CG2 . 52910 1 976 . 1 . 1 82 82 VAL N N 15 126.174 0.400 . 1 . . . . . 81 VAL N . 52910 1 977 . 1 . 1 83 83 PHE H H 1 9.262 0.020 . 1 . . . . . 82 PHE H . 52910 1 978 . 1 . 1 83 83 PHE HA H 1 4.973 0.020 . 1 . . . . . 82 PHE HA . 52910 1 979 . 1 . 1 83 83 PHE HB2 H 1 2.895 0.020 . 2 . . . . . 82 PHE HB2 . 52910 1 980 . 1 . 1 83 83 PHE HB3 H 1 3.659 0.020 . 2 . . . . . 82 PHE HB3 . 52910 1 981 . 1 . 1 83 83 PHE C C 13 171.279 0.400 . 1 . . . . . 82 PHE C . 52910 1 982 . 1 . 1 83 83 PHE CA C 13 55.233 0.400 . 1 . . . . . 82 PHE CA . 52910 1 983 . 1 . 1 83 83 PHE CB C 13 40.733 0.400 . 1 . . . . . 82 PHE CB . 52910 1 984 . 1 . 1 83 83 PHE N N 15 123.618 0.400 . 1 . . . . . 82 PHE N . 52910 1 985 . 1 . 1 84 84 ALA H H 1 8.669 0.020 . 1 . . . . . 83 ALA H . 52910 1 986 . 1 . 1 84 84 ALA HA H 1 5.056 0.020 . 1 . . . . . 83 ALA HA . 52910 1 987 . 1 . 1 84 84 ALA HB1 H 1 1.481 0.020 . 1 . . . . . 83 ALA HB1 . 52910 1 988 . 1 . 1 84 84 ALA HB2 H 1 1.481 0.020 . 1 . . . . . 83 ALA HB2 . 52910 1 989 . 1 . 1 84 84 ALA HB3 H 1 1.481 0.020 . 1 . . . . . 83 ALA HB3 . 52910 1 990 . 1 . 1 84 84 ALA C C 13 179.316 0.400 . 1 . . . . . 83 ALA C . 52910 1 991 . 1 . 1 84 84 ALA CA C 13 49.794 0.400 . 1 . . . . . 83 ALA CA . 52910 1 992 . 1 . 1 84 84 ALA CB C 13 21.787 0.400 . 1 . . . . . 83 ALA CB . 52910 1 993 . 1 . 1 84 84 ALA N N 15 121.361 0.400 . 1 . . . . . 83 ALA N . 52910 1 994 . 1 . 1 85 85 ILE H H 1 8.513 0.020 . 1 . . . . . 84 ILE H . 52910 1 995 . 1 . 1 85 85 ILE HA H 1 3.994 0.020 . 1 . . . . . 84 ILE HA . 52910 1 996 . 1 . 1 85 85 ILE HB H 1 2.315 0.020 . 1 . . . . . 84 ILE HB . 52910 1 997 . 1 . 1 85 85 ILE HG12 H 1 1.134 0.020 . 2 . . . . . 84 ILE HG12 . 52910 1 998 . 1 . 1 85 85 ILE HG13 H 1 1.385 0.020 . 2 . . . . . 84 ILE HG13 . 52910 1 999 . 1 . 1 85 85 ILE HG21 H 1 0.896 0.020 . 1 . . . . . 84 ILE HG21 . 52910 1 1000 . 1 . 1 85 85 ILE HG22 H 1 0.896 0.020 . 1 . . . . . 84 ILE HG22 . 52910 1 1001 . 1 . 1 85 85 ILE HG23 H 1 0.896 0.020 . 1 . . . . . 84 ILE HG23 . 52910 1 1002 . 1 . 1 85 85 ILE HD11 H 1 0.834 0.020 . 1 . . . . . 84 ILE HD11 . 52910 1 1003 . 1 . 1 85 85 ILE HD12 H 1 0.834 0.020 . 1 . . . . . 84 ILE HD12 . 52910 1 1004 . 1 . 1 85 85 ILE HD13 H 1 0.834 0.020 . 1 . . . . . 84 ILE HD13 . 52910 1 1005 . 1 . 1 85 85 ILE C C 13 174.137 0.400 . 1 . . . . . 84 ILE C . 52910 1 1006 . 1 . 1 85 85 ILE CA C 13 63.326 0.400 . 1 . . . . . 84 ILE CA . 52910 1 1007 . 1 . 1 85 85 ILE CB C 13 38.509 0.400 . 1 . . . . . 84 ILE CB . 52910 1 1008 . 1 . 1 85 85 ILE CG1 C 13 27.450 0.400 . 1 . . . . . 84 ILE CG1 . 52910 1 1009 . 1 . 1 85 85 ILE CG2 C 13 20.566 0.400 . 1 . . . . . 84 ILE CG2 . 52910 1 1010 . 1 . 1 85 85 ILE CD1 C 13 15.259 0.400 . 1 . . . . . 84 ILE CD1 . 52910 1 1011 . 1 . 1 85 85 ILE N N 15 113.864 0.400 . 1 . . . . . 84 ILE N . 52910 1 1012 . 1 . 1 86 86 ASN H H 1 7.912 0.020 . 1 . . . . . 85 ASN H . 52910 1 1013 . 1 . 1 86 86 ASN HA H 1 4.995 0.020 . 1 . . . . . 85 ASN HA . 52910 1 1014 . 1 . 1 86 86 ASN HB2 H 1 2.471 0.020 . 2 . . . . . 85 ASN HB2 . 52910 1 1015 . 1 . 1 86 86 ASN HB3 H 1 3.249 0.020 . 2 . . . . . 85 ASN HB3 . 52910 1 1016 . 1 . 1 86 86 ASN HD21 H 1 6.819 0.020 . 2 . . . . . 85 ASN HD21 . 52910 1 1017 . 1 . 1 86 86 ASN HD22 H 1 7.780 0.020 . 2 . . . . . 85 ASN HD22 . 52910 1 1018 . 1 . 1 86 86 ASN C C 13 174.674 0.400 . 1 . . . . . 85 ASN C . 52910 1 1019 . 1 . 1 86 86 ASN CA C 13 52.162 0.400 . 1 . . . . . 85 ASN CA . 52910 1 1020 . 1 . 1 86 86 ASN CB C 13 37.840 0.400 . 1 . . . . . 85 ASN CB . 52910 1 1021 . 1 . 1 86 86 ASN N N 15 116.698 0.400 . 1 . . . . . 85 ASN N . 52910 1 1022 . 1 . 1 86 86 ASN ND2 N 15 113.199 0.400 . 1 . . . . . 85 ASN ND2 . 52910 1 1023 . 1 . 1 87 87 ASN H H 1 7.856 0.020 . 1 . . . . . 86 ASN H . 52910 1 1024 . 1 . 1 87 87 ASN HA H 1 5.057 0.020 . 1 . . . . . 86 ASN HA . 52910 1 1025 . 1 . 1 87 87 ASN HB2 H 1 2.496 0.020 . 2 . . . . . 86 ASN HB2 . 52910 1 1026 . 1 . 1 87 87 ASN HB3 H 1 3.181 0.020 . 2 . . . . . 86 ASN HB3 . 52910 1 1027 . 1 . 1 87 87 ASN HD21 H 1 8.089 0.020 . 2 . . . . . 86 ASN HD21 . 52910 1 1028 . 1 . 1 87 87 ASN HD22 H 1 7.198 0.020 . 2 . . . . . 86 ASN HD22 . 52910 1 1029 . 1 . 1 87 87 ASN C C 13 175.475 0.400 . 1 . . . . . 86 ASN C . 52910 1 1030 . 1 . 1 87 87 ASN CA C 13 51.911 0.400 . 1 . . . . . 86 ASN CA . 52910 1 1031 . 1 . 1 87 87 ASN CB C 13 39.113 0.400 . 1 . . . . . 86 ASN CB . 52910 1 1032 . 1 . 1 87 87 ASN N N 15 118.498 0.400 . 1 . . . . . 86 ASN N . 52910 1 1033 . 1 . 1 87 87 ASN ND2 N 15 112.888 0.400 . 1 . . . . . 86 ASN ND2 . 52910 1 1034 . 1 . 1 88 88 SER H H 1 9.477 0.020 . 1 . . . . . 87 SER H . 52910 1 1035 . 1 . 1 88 88 SER HA H 1 3.938 0.020 . 1 . . . . . 87 SER HA . 52910 1 1036 . 1 . 1 88 88 SER HB2 H 1 4.039 0.020 . 2 . . . . . 87 SER HB2 . 52910 1 1037 . 1 . 1 88 88 SER C C 13 177.009 0.400 . 1 . . . . . 87 SER C . 52910 1 1038 . 1 . 1 88 88 SER CA C 13 62.152 0.400 . 1 . . . . . 87 SER CA . 52910 1 1039 . 1 . 1 88 88 SER CB C 13 62.376 0.400 . 1 . . . . . 87 SER CB . 52910 1 1040 . 1 . 1 88 88 SER N N 15 124.221 0.400 . 1 . . . . . 87 SER N . 52910 1 1041 . 1 . 1 89 89 LYS H H 1 8.602 0.020 . 1 . . . . . 88 LYS H . 52910 1 1042 . 1 . 1 89 89 LYS HA H 1 4.241 0.020 . 1 . . . . . 88 LYS HA . 52910 1 1043 . 1 . 1 89 89 LYS HB2 H 1 2.104 0.020 . 2 . . . . . 88 LYS HB2 . 52910 1 1044 . 1 . 1 89 89 LYS HB3 H 1 1.978 0.020 . 2 . . . . . 88 LYS HB3 . 52910 1 1045 . 1 . 1 89 89 LYS HG2 H 1 1.536 0.020 . 2 . . . . . 88 LYS HG2 . 52910 1 1046 . 1 . 1 89 89 LYS HD2 H 1 1.838 0.020 . 2 . . . . . 88 LYS HD2 . 52910 1 1047 . 1 . 1 89 89 LYS HD3 H 1 1.674 0.020 . 2 . . . . . 88 LYS HD3 . 52910 1 1048 . 1 . 1 89 89 LYS HE2 H 1 3.094 0.020 . 2 . . . . . 88 LYS HE2 . 52910 1 1049 . 1 . 1 89 89 LYS C C 13 178.085 0.400 . 1 . . . . . 88 LYS C . 52910 1 1050 . 1 . 1 89 89 LYS CA C 13 59.593 0.400 . 1 . . . . . 88 LYS CA . 52910 1 1051 . 1 . 1 89 89 LYS CB C 13 31.547 0.400 . 1 . . . . . 88 LYS CB . 52910 1 1052 . 1 . 1 89 89 LYS CG C 13 25.063 0.400 . 1 . . . . . 88 LYS CG . 52910 1 1053 . 1 . 1 89 89 LYS CD C 13 28.756 0.400 . 1 . . . . . 88 LYS CD . 52910 1 1054 . 1 . 1 89 89 LYS CE C 13 42.547 0.400 . 1 . . . . . 88 LYS CE . 52910 1 1055 . 1 . 1 89 89 LYS N N 15 126.958 0.400 . 1 . . . . . 88 LYS N . 52910 1 1056 . 1 . 1 90 90 SER H H 1 8.027 0.020 . 1 . . . . . 89 SER H . 52910 1 1057 . 1 . 1 90 90 SER HA H 1 4.205 0.020 . 1 . . . . . 89 SER HA . 52910 1 1058 . 1 . 1 90 90 SER HB2 H 1 4.023 0.020 . 2 . . . . . 89 SER HB2 . 52910 1 1059 . 1 . 1 90 90 SER HB3 H 1 4.563 0.020 . 2 . . . . . 89 SER HB3 . 52910 1 1060 . 1 . 1 90 90 SER C C 13 176.082 0.400 . 1 . . . . . 89 SER C . 52910 1 1061 . 1 . 1 90 90 SER CA C 13 61.641 0.400 . 1 . . . . . 89 SER CA . 52910 1 1062 . 1 . 1 90 90 SER CB C 13 63.827 0.400 . 1 . . . . . 89 SER CB . 52910 1 1063 . 1 . 1 90 90 SER N N 15 115.387 0.400 . 1 . . . . . 89 SER N . 52910 1 1064 . 1 . 1 91 91 PHE H H 1 7.319 0.020 . 1 . . . . . 90 PHE H . 52910 1 1065 . 1 . 1 91 91 PHE HA H 1 4.043 0.020 . 1 . . . . . 90 PHE HA . 52910 1 1066 . 1 . 1 91 91 PHE HB2 H 1 2.690 0.020 . 2 . . . . . 90 PHE HB2 . 52910 1 1067 . 1 . 1 91 91 PHE HB3 H 1 3.111 0.020 . 2 . . . . . 90 PHE HB3 . 52910 1 1068 . 1 . 1 91 91 PHE HD1 H 1 6.018 0.020 . 1 . . . . . 90 PHE HD1 . 52910 1 1069 . 1 . 1 91 91 PHE HD2 H 1 6.018 0.020 . 1 . . . . . 90 PHE HD2 . 52910 1 1070 . 1 . 1 91 91 PHE HE1 H 1 6.747 0.020 . 1 . . . . . 90 PHE HE1 . 52910 1 1071 . 1 . 1 91 91 PHE HE2 H 1 6.747 0.020 . 1 . . . . . 90 PHE HE2 . 52910 1 1072 . 1 . 1 91 91 PHE HZ H 1 6.717 0.020 . 1 . . . . . 90 PHE HZ . 52910 1 1073 . 1 . 1 91 91 PHE C C 13 176.778 0.400 . 1 . . . . . 90 PHE C . 52910 1 1074 . 1 . 1 91 91 PHE CA C 13 59.812 0.400 . 1 . . . . . 90 PHE CA . 52910 1 1075 . 1 . 1 91 91 PHE CB C 13 40.061 0.400 . 1 . . . . . 90 PHE CB . 52910 1 1076 . 1 . 1 91 91 PHE CD2 C 13 131.489 0.400 . 3 . . . . . 90 PHE CD2 . 52910 1 1077 . 1 . 1 91 91 PHE CE2 C 13 130.363 0.400 . 3 . . . . . 90 PHE CE2 . 52910 1 1078 . 1 . 1 91 91 PHE CZ C 13 128.940 0.400 . 1 . . . . . 90 PHE CZ . 52910 1 1079 . 1 . 1 91 91 PHE N N 15 124.128 0.400 . 1 . . . . . 90 PHE N . 52910 1 1080 . 1 . 1 92 92 ALA H H 1 7.800 0.020 . 1 . . . . . 91 ALA H . 52910 1 1081 . 1 . 1 92 92 ALA HA H 1 3.930 0.020 . 1 . . . . . 91 ALA HA . 52910 1 1082 . 1 . 1 92 92 ALA HB1 H 1 1.580 0.020 . 1 . . . . . 91 ALA HB1 . 52910 1 1083 . 1 . 1 92 92 ALA HB2 H 1 1.580 0.020 . 1 . . . . . 91 ALA HB2 . 52910 1 1084 . 1 . 1 92 92 ALA HB3 H 1 1.580 0.020 . 1 . . . . . 91 ALA HB3 . 52910 1 1085 . 1 . 1 92 92 ALA C C 13 180.900 0.400 . 1 . . . . . 91 ALA C . 52910 1 1086 . 1 . 1 92 92 ALA CA C 13 54.982 0.400 . 1 . . . . . 91 ALA CA . 52910 1 1087 . 1 . 1 92 92 ALA CB C 13 17.924 0.400 . 1 . . . . . 91 ALA CB . 52910 1 1088 . 1 . 1 92 92 ALA N N 15 124.094 0.400 . 1 . . . . . 91 ALA N . 52910 1 1089 . 1 . 1 93 93 ASP H H 1 8.602 0.020 . 1 . . . . . 92 ASP H . 52910 1 1090 . 1 . 1 93 93 ASP HA H 1 4.473 0.020 . 1 . . . . . 92 ASP HA . 52910 1 1091 . 1 . 1 93 93 ASP HB2 H 1 2.856 0.020 . 2 . . . . . 92 ASP HB2 . 52910 1 1092 . 1 . 1 93 93 ASP C C 13 178.200 0.400 . 1 . . . . . 92 ASP C . 52910 1 1093 . 1 . 1 93 93 ASP CA C 13 56.418 0.400 . 1 . . . . . 92 ASP CA . 52910 1 1094 . 1 . 1 93 93 ASP CB C 13 40.755 0.400 . 1 . . . . . 92 ASP CB . 52910 1 1095 . 1 . 1 93 93 ASP N N 15 116.809 0.400 . 1 . . . . . 92 ASP N . 52910 1 1096 . 1 . 1 94 94 ILE H H 1 7.518 0.020 . 1 . . . . . 93 ILE H . 52910 1 1097 . 1 . 1 94 94 ILE HA H 1 3.977 0.020 . 1 . . . . . 93 ILE HA . 52910 1 1098 . 1 . 1 94 94 ILE HB H 1 2.184 0.020 . 1 . . . . . 93 ILE HB . 52910 1 1099 . 1 . 1 94 94 ILE HG12 H 1 1.357 0.020 . 2 . . . . . 93 ILE HG12 . 52910 1 1100 . 1 . 1 94 94 ILE HG13 H 1 2.144 0.020 . 2 . . . . . 93 ILE HG13 . 52910 1 1101 . 1 . 1 94 94 ILE HG21 H 1 0.959 0.020 . 1 . . . . . 93 ILE HG21 . 52910 1 1102 . 1 . 1 94 94 ILE HG22 H 1 0.959 0.020 . 1 . . . . . 93 ILE HG22 . 52910 1 1103 . 1 . 1 94 94 ILE HG23 H 1 0.959 0.020 . 1 . . . . . 93 ILE HG23 . 52910 1 1104 . 1 . 1 94 94 ILE HD11 H 1 0.793 0.020 . 1 . . . . . 93 ILE HD11 . 52910 1 1105 . 1 . 1 94 94 ILE HD12 H 1 0.793 0.020 . 1 . . . . . 93 ILE HD12 . 52910 1 1106 . 1 . 1 94 94 ILE HD13 H 1 0.793 0.020 . 1 . . . . . 93 ILE HD13 . 52910 1 1107 . 1 . 1 94 94 ILE C C 13 177.624 0.400 . 1 . . . . . 93 ILE C . 52910 1 1108 . 1 . 1 94 94 ILE CA C 13 62.050 0.400 . 1 . . . . . 93 ILE CA . 52910 1 1109 . 1 . 1 94 94 ILE CB C 13 34.885 0.400 . 1 . . . . . 93 ILE CB . 52910 1 1110 . 1 . 1 94 94 ILE CG1 C 13 26.860 0.400 . 1 . . . . . 93 ILE CG1 . 52910 1 1111 . 1 . 1 94 94 ILE CG2 C 13 17.716 0.400 . 1 . . . . . 93 ILE CG2 . 52910 1 1112 . 1 . 1 94 94 ILE CD1 C 13 9.638 0.400 . 1 . . . . . 93 ILE CD1 . 52910 1 1113 . 1 . 1 94 94 ILE N N 15 120.085 0.400 . 1 . . . . . 93 ILE N . 52910 1 1114 . 1 . 1 95 95 ASN H H 1 7.699 0.020 . 1 . . . . . 94 ASN H . 52910 1 1115 . 1 . 1 95 95 ASN HA H 1 4.446 0.020 . 1 . . . . . 94 ASN HA . 52910 1 1116 . 1 . 1 95 95 ASN HB2 H 1 2.751 0.020 . 2 . . . . . 94 ASN HB2 . 52910 1 1117 . 1 . 1 95 95 ASN HB3 H 1 2.801 0.020 . 2 . . . . . 94 ASN HB3 . 52910 1 1118 . 1 . 1 95 95 ASN HD21 H 1 7.826 0.020 . 2 . . . . . 94 ASN HD21 . 52910 1 1119 . 1 . 1 95 95 ASN HD22 H 1 7.073 0.020 . 2 . . . . . 94 ASN HD22 . 52910 1 1120 . 1 . 1 95 95 ASN C C 13 176.977 0.400 . 1 . . . . . 94 ASN C . 52910 1 1121 . 1 . 1 95 95 ASN CA C 13 56.860 0.400 . 1 . . . . . 94 ASN CA . 52910 1 1122 . 1 . 1 95 95 ASN CB C 13 38.995 0.400 . 1 . . . . . 94 ASN CB . 52910 1 1123 . 1 . 1 95 95 ASN N N 15 116.048 0.400 . 1 . . . . . 94 ASN N . 52910 1 1124 . 1 . 1 95 95 ASN ND2 N 15 116.540 0.400 . 1 . . . . . 94 ASN ND2 . 52910 1 1125 . 1 . 1 96 96 LEU H H 1 7.250 0.020 . 1 . . . . . 95 LEU H . 52910 1 1126 . 1 . 1 96 96 LEU HA H 1 4.047 0.020 . 1 . . . . . 95 LEU HA . 52910 1 1127 . 1 . 1 96 96 LEU HB2 H 1 1.848 0.020 . 2 . . . . . 95 LEU HB2 . 52910 1 1128 . 1 . 1 96 96 LEU HB3 H 1 1.492 0.020 . 2 . . . . . 95 LEU HB3 . 52910 1 1129 . 1 . 1 96 96 LEU HG H 1 1.616 0.020 . 1 . . . . . 95 LEU HG . 52910 1 1130 . 1 . 1 96 96 LEU HD11 H 1 0.748 0.020 . 2 . . . . . 95 LEU HD11 . 52910 1 1131 . 1 . 1 96 96 LEU HD12 H 1 0.748 0.020 . 2 . . . . . 95 LEU HD12 . 52910 1 1132 . 1 . 1 96 96 LEU HD13 H 1 0.748 0.020 . 2 . . . . . 95 LEU HD13 . 52910 1 1133 . 1 . 1 96 96 LEU HD21 H 1 0.847 0.020 . 2 . . . . . 95 LEU HD21 . 52910 1 1134 . 1 . 1 96 96 LEU HD22 H 1 0.847 0.020 . 2 . . . . . 95 LEU HD22 . 52910 1 1135 . 1 . 1 96 96 LEU HD23 H 1 0.847 0.020 . 2 . . . . . 95 LEU HD23 . 52910 1 1136 . 1 . 1 96 96 LEU C C 13 180.521 0.400 . 1 . . . . . 95 LEU C . 52910 1 1137 . 1 . 1 96 96 LEU CA C 13 57.738 0.400 . 1 . . . . . 95 LEU CA . 52910 1 1138 . 1 . 1 96 96 LEU CB C 13 40.882 0.400 . 1 . . . . . 95 LEU CB . 52910 1 1139 . 1 . 1 96 96 LEU CG C 13 27.010 0.400 . 1 . . . . . 95 LEU CG . 52910 1 1140 . 1 . 1 96 96 LEU CD1 C 13 23.305 0.400 . 2 . . . . . 95 LEU CD1 . 52910 1 1141 . 1 . 1 96 96 LEU CD2 C 13 25.134 0.400 . 2 . . . . . 95 LEU CD2 . 52910 1 1142 . 1 . 1 96 96 LEU N N 15 118.148 0.400 . 1 . . . . . 95 LEU N . 52910 1 1143 . 1 . 1 97 97 TYR H H 1 7.610 0.020 . 1 . . . . . 96 TYR H . 52910 1 1144 . 1 . 1 97 97 TYR HA H 1 3.957 0.020 . 1 . . . . . 96 TYR HA . 52910 1 1145 . 1 . 1 97 97 TYR HB2 H 1 2.747 0.020 . 2 . . . . . 96 TYR HB2 . 52910 1 1146 . 1 . 1 97 97 TYR HB3 H 1 3.000 0.020 . 2 . . . . . 96 TYR HB3 . 52910 1 1147 . 1 . 1 97 97 TYR HD1 H 1 6.995 0.020 . 1 . . . . . 96 TYR HD1 . 52910 1 1148 . 1 . 1 97 97 TYR HD2 H 1 6.995 0.020 . 1 . . . . . 96 TYR HD2 . 52910 1 1149 . 1 . 1 97 97 TYR HE1 H 1 6.812 0.020 . 1 . . . . . 96 TYR HE1 . 52910 1 1150 . 1 . 1 97 97 TYR HE2 H 1 6.812 0.020 . 1 . . . . . 96 TYR HE2 . 52910 1 1151 . 1 . 1 97 97 TYR C C 13 177.573 0.400 . 1 . . . . . 96 TYR C . 52910 1 1152 . 1 . 1 97 97 TYR CA C 13 63.435 0.400 . 1 . . . . . 96 TYR CA . 52910 1 1153 . 1 . 1 97 97 TYR CB C 13 38.456 0.400 . 1 . . . . . 96 TYR CB . 52910 1 1154 . 1 . 1 97 97 TYR CD2 C 13 132.057 0.400 . 3 . . . . . 96 TYR CD2 . 52910 1 1155 . 1 . 1 97 97 TYR CE2 C 13 118.516 0.400 . 3 . . . . . 96 TYR CE2 . 52910 1 1156 . 1 . 1 97 97 TYR N N 15 118.729 0.400 . 1 . . . . . 96 TYR N . 52910 1 1157 . 1 . 1 98 98 ARG H H 1 8.453 0.020 . 1 . . . . . 97 ARG H . 52910 1 1158 . 1 . 1 98 98 ARG HA H 1 3.582 0.020 . 1 . . . . . 97 ARG HA . 52910 1 1159 . 1 . 1 98 98 ARG HB2 H 1 1.419 0.020 . 2 . . . . . 97 ARG HB2 . 52910 1 1160 . 1 . 1 98 98 ARG HB3 H 1 1.826 0.020 . 2 . . . . . 97 ARG HB3 . 52910 1 1161 . 1 . 1 98 98 ARG HG2 H 1 1.072 0.020 . 2 . . . . . 97 ARG HG2 . 52910 1 1162 . 1 . 1 98 98 ARG HG3 H 1 1.155 0.020 . 2 . . . . . 97 ARG HG3 . 52910 1 1163 . 1 . 1 98 98 ARG HD2 H 1 2.049 0.020 . 2 . . . . . 97 ARG HD2 . 52910 1 1164 . 1 . 1 98 98 ARG HD3 H 1 2.253 0.020 . 2 . . . . . 97 ARG HD3 . 52910 1 1165 . 1 . 1 98 98 ARG HE H 1 7.091 0.020 . 1 . . . . . 97 ARG HE . 52910 1 1166 . 1 . 1 98 98 ARG C C 13 177.507 0.400 . 1 . . . . . 97 ARG C . 52910 1 1167 . 1 . 1 98 98 ARG CA C 13 60.260 0.400 . 1 . . . . . 97 ARG CA . 52910 1 1168 . 1 . 1 98 98 ARG CB C 13 29.118 0.400 . 1 . . . . . 97 ARG CB . 52910 1 1169 . 1 . 1 98 98 ARG CG C 13 27.707 0.400 . 1 . . . . . 97 ARG CG . 52910 1 1170 . 1 . 1 98 98 ARG CD C 13 42.720 0.400 . 1 . . . . . 97 ARG CD . 52910 1 1171 . 1 . 1 98 98 ARG N N 15 117.941 0.400 . 1 . . . . . 97 ARG N . 52910 1 1172 . 1 . 1 98 98 ARG NE N 15 85.052 0.400 . 1 . . . . . 97 ARG NE . 52910 1 1173 . 1 . 1 99 99 GLU H H 1 7.982 0.020 . 1 . . . . . 98 GLU H . 52910 1 1174 . 1 . 1 99 99 GLU HA H 1 3.862 0.020 . 1 . . . . . 98 GLU HA . 52910 1 1175 . 1 . 1 99 99 GLU HB2 H 1 2.024 0.020 . 2 . . . . . 98 GLU HB2 . 52910 1 1176 . 1 . 1 99 99 GLU HG2 H 1 2.347 0.020 . 2 . . . . . 98 GLU HG2 . 52910 1 1177 . 1 . 1 99 99 GLU HG3 H 1 2.423 0.020 . 2 . . . . . 98 GLU HG3 . 52910 1 1178 . 1 . 1 99 99 GLU C C 13 178.964 0.400 . 1 . . . . . 98 GLU C . 52910 1 1179 . 1 . 1 99 99 GLU CA C 13 59.061 0.400 . 1 . . . . . 98 GLU CA . 52910 1 1180 . 1 . 1 99 99 GLU CB C 13 29.284 0.400 . 1 . . . . . 98 GLU CB . 52910 1 1181 . 1 . 1 99 99 GLU CG C 13 36.275 0.400 . 1 . . . . . 98 GLU CG . 52910 1 1182 . 1 . 1 99 99 GLU N N 15 116.033 0.400 . 1 . . . . . 98 GLU N . 52910 1 1183 . 1 . 1 100 100 GLN H H 1 7.836 0.020 . 1 . . . . . 99 GLN H . 52910 1 1184 . 1 . 1 100 100 GLN HA H 1 3.917 0.020 . 1 . . . . . 99 GLN HA . 52910 1 1185 . 1 . 1 100 100 GLN HB2 H 1 1.870 0.020 . 2 . . . . . 99 GLN HB2 . 52910 1 1186 . 1 . 1 100 100 GLN HB3 H 1 2.000 0.020 . 2 . . . . . 99 GLN HB3 . 52910 1 1187 . 1 . 1 100 100 GLN HG2 H 1 2.397 0.020 . 2 . . . . . 99 GLN HG2 . 52910 1 1188 . 1 . 1 100 100 GLN HE21 H 1 7.194 0.020 . 2 . . . . . 99 GLN HE21 . 52910 1 1189 . 1 . 1 100 100 GLN HE22 H 1 6.541 0.020 . 2 . . . . . 99 GLN HE22 . 52910 1 1190 . 1 . 1 100 100 GLN C C 13 177.384 0.400 . 1 . . . . . 99 GLN C . 52910 1 1191 . 1 . 1 100 100 GLN CA C 13 59.552 0.400 . 1 . . . . . 99 GLN CA . 52910 1 1192 . 1 . 1 100 100 GLN CB C 13 27.675 0.400 . 1 . . . . . 99 GLN CB . 52910 1 1193 . 1 . 1 100 100 GLN CG C 13 33.782 0.400 . 1 . . . . . 99 GLN CG . 52910 1 1194 . 1 . 1 100 100 GLN N N 15 120.530 0.400 . 1 . . . . . 99 GLN N . 52910 1 1195 . 1 . 1 100 100 GLN NE2 N 15 109.334 0.400 . 1 . . . . . 99 GLN NE2 . 52910 1 1196 . 1 . 1 101 101 ILE H H 1 8.324 0.020 . 1 . . . . . 100 ILE H . 52910 1 1197 . 1 . 1 101 101 ILE HA H 1 3.253 0.020 . 1 . . . . . 100 ILE HA . 52910 1 1198 . 1 . 1 101 101 ILE HB H 1 1.439 0.020 . 1 . . . . . 100 ILE HB . 52910 1 1199 . 1 . 1 101 101 ILE HG12 H 1 -0.189 0.020 . 2 . . . . . 100 ILE HG12 . 52910 1 1200 . 1 . 1 101 101 ILE HG13 H 1 1.747 0.020 . 2 . . . . . 100 ILE HG13 . 52910 1 1201 . 1 . 1 101 101 ILE HG21 H 1 0.148 0.020 . 1 . . . . . 100 ILE HG21 . 52910 1 1202 . 1 . 1 101 101 ILE HG22 H 1 0.148 0.020 . 1 . . . . . 100 ILE HG22 . 52910 1 1203 . 1 . 1 101 101 ILE HG23 H 1 0.148 0.020 . 1 . . . . . 100 ILE HG23 . 52910 1 1204 . 1 . 1 101 101 ILE HD11 H 1 0.283 0.020 . 1 . . . . . 100 ILE HD11 . 52910 1 1205 . 1 . 1 101 101 ILE HD12 H 1 0.283 0.020 . 1 . . . . . 100 ILE HD12 . 52910 1 1206 . 1 . 1 101 101 ILE HD13 H 1 0.283 0.020 . 1 . . . . . 100 ILE HD13 . 52910 1 1207 . 1 . 1 101 101 ILE C C 13 177.471 0.400 . 1 . . . . . 100 ILE C . 52910 1 1208 . 1 . 1 101 101 ILE CA C 13 66.099 0.400 . 1 . . . . . 100 ILE CA . 52910 1 1209 . 1 . 1 101 101 ILE CB C 13 38.169 0.400 . 1 . . . . . 100 ILE CB . 52910 1 1210 . 1 . 1 101 101 ILE CG1 C 13 29.964 0.400 . 1 . . . . . 100 ILE CG1 . 52910 1 1211 . 1 . 1 101 101 ILE CG2 C 13 18.840 0.400 . 1 . . . . . 100 ILE CG2 . 52910 1 1212 . 1 . 1 101 101 ILE CD1 C 13 15.392 0.400 . 1 . . . . . 100 ILE CD1 . 52910 1 1213 . 1 . 1 101 101 ILE N N 15 120.184 0.400 . 1 . . . . . 100 ILE N . 52910 1 1214 . 1 . 1 102 102 LYS H H 1 7.730 0.020 . 1 . . . . . 101 LYS H . 52910 1 1215 . 1 . 1 102 102 LYS HA H 1 3.987 0.020 . 1 . . . . . 101 LYS HA . 52910 1 1216 . 1 . 1 102 102 LYS HB2 H 1 1.729 0.020 . 2 . . . . . 101 LYS HB2 . 52910 1 1217 . 1 . 1 102 102 LYS HB3 H 1 1.806 0.020 . 2 . . . . . 101 LYS HB3 . 52910 1 1218 . 1 . 1 102 102 LYS HG2 H 1 1.404 0.020 . 2 . . . . . 101 LYS HG2 . 52910 1 1219 . 1 . 1 102 102 LYS HD2 H 1 1.529 0.020 . 2 . . . . . 101 LYS HD2 . 52910 1 1220 . 1 . 1 102 102 LYS HD3 H 1 1.592 0.020 . 2 . . . . . 101 LYS HD3 . 52910 1 1221 . 1 . 1 102 102 LYS HE2 H 1 2.870 0.020 . 2 . . . . . 101 LYS HE2 . 52910 1 1222 . 1 . 1 102 102 LYS C C 13 179.468 0.400 . 1 . . . . . 101 LYS C . 52910 1 1223 . 1 . 1 102 102 LYS CA C 13 59.813 0.400 . 1 . . . . . 101 LYS CA . 52910 1 1224 . 1 . 1 102 102 LYS CB C 13 32.422 0.400 . 1 . . . . . 101 LYS CB . 52910 1 1225 . 1 . 1 102 102 LYS CG C 13 25.054 0.400 . 1 . . . . . 101 LYS CG . 52910 1 1226 . 1 . 1 102 102 LYS CD C 13 29.816 0.400 . 1 . . . . . 101 LYS CD . 52910 1 1227 . 1 . 1 102 102 LYS CE C 13 41.672 0.400 . 1 . . . . . 101 LYS CE . 52910 1 1228 . 1 . 1 102 102 LYS N N 15 116.825 0.400 . 1 . . . . . 101 LYS N . 52910 1 1229 . 1 . 1 103 103 ARG H H 1 7.709 0.020 . 1 . . . . . 102 ARG H . 52910 1 1230 . 1 . 1 103 103 ARG HA H 1 4.102 0.020 . 1 . . . . . 102 ARG HA . 52910 1 1231 . 1 . 1 103 103 ARG HB2 H 1 1.936 0.020 . 2 . . . . . 102 ARG HB2 . 52910 1 1232 . 1 . 1 103 103 ARG HG2 H 1 1.567 0.020 . 2 . . . . . 102 ARG HG2 . 52910 1 1233 . 1 . 1 103 103 ARG HG3 H 1 1.692 0.020 . 2 . . . . . 102 ARG HG3 . 52910 1 1234 . 1 . 1 103 103 ARG HD2 H 1 3.212 0.020 . 2 . . . . . 102 ARG HD2 . 52910 1 1235 . 1 . 1 103 103 ARG HE H 1 7.341 0.020 . 1 . . . . . 102 ARG HE . 52910 1 1236 . 1 . 1 103 103 ARG C C 13 179.597 0.400 . 1 . . . . . 102 ARG C . 52910 1 1237 . 1 . 1 103 103 ARG CA C 13 59.044 0.400 . 1 . . . . . 102 ARG CA . 52910 1 1238 . 1 . 1 103 103 ARG CB C 13 30.081 0.400 . 1 . . . . . 102 ARG CB . 52910 1 1239 . 1 . 1 103 103 ARG CG C 13 27.199 0.400 . 1 . . . . . 102 ARG CG . 52910 1 1240 . 1 . 1 103 103 ARG CD C 13 43.415 0.400 . 1 . . . . . 102 ARG CD . 52910 1 1241 . 1 . 1 103 103 ARG N N 15 118.461 0.400 . 1 . . . . . 102 ARG N . 52910 1 1242 . 1 . 1 103 103 ARG NE N 15 83.386 0.400 . 1 . . . . . 102 ARG NE . 52910 1 1243 . 1 . 1 104 104 VAL H H 1 8.530 0.020 . 1 . . . . . 103 VAL H . 52910 1 1244 . 1 . 1 104 104 VAL HA H 1 3.690 0.020 . 1 . . . . . 103 VAL HA . 52910 1 1245 . 1 . 1 104 104 VAL HB H 1 1.938 0.020 . 1 . . . . . 103 VAL HB . 52910 1 1246 . 1 . 1 104 104 VAL HG11 H 1 0.868 0.020 . 2 . . . . . 103 VAL HG11 . 52910 1 1247 . 1 . 1 104 104 VAL HG12 H 1 0.868 0.020 . 2 . . . . . 103 VAL HG12 . 52910 1 1248 . 1 . 1 104 104 VAL HG13 H 1 0.868 0.020 . 2 . . . . . 103 VAL HG13 . 52910 1 1249 . 1 . 1 104 104 VAL HG21 H 1 1.023 0.020 . 2 . . . . . 103 VAL HG21 . 52910 1 1250 . 1 . 1 104 104 VAL HG22 H 1 1.023 0.020 . 2 . . . . . 103 VAL HG22 . 52910 1 1251 . 1 . 1 104 104 VAL HG23 H 1 1.023 0.020 . 2 . . . . . 103 VAL HG23 . 52910 1 1252 . 1 . 1 104 104 VAL C C 13 178.323 0.400 . 1 . . . . . 103 VAL C . 52910 1 1253 . 1 . 1 104 104 VAL CA C 13 65.913 0.400 . 1 . . . . . 103 VAL CA . 52910 1 1254 . 1 . 1 104 104 VAL CB C 13 31.768 0.400 . 1 . . . . . 103 VAL CB . 52910 1 1255 . 1 . 1 104 104 VAL CG1 C 13 21.714 0.400 . 2 . . . . . 103 VAL CG1 . 52910 1 1256 . 1 . 1 104 104 VAL CG2 C 13 23.130 0.400 . 2 . . . . . 103 VAL CG2 . 52910 1 1257 . 1 . 1 104 104 VAL N N 15 119.656 0.400 . 1 . . . . . 103 VAL N . 52910 1 1258 . 1 . 1 105 105 LYS H H 1 8.258 0.020 . 1 . . . . . 104 LYS H . 52910 1 1259 . 1 . 1 105 105 LYS HA H 1 4.187 0.020 . 1 . . . . . 104 LYS HA . 52910 1 1260 . 1 . 1 105 105 LYS HB2 H 1 1.799 0.020 . 2 . . . . . 104 LYS HB2 . 52910 1 1261 . 1 . 1 105 105 LYS HB3 H 1 1.861 0.020 . 2 . . . . . 104 LYS HB3 . 52910 1 1262 . 1 . 1 105 105 LYS HG2 H 1 1.508 0.020 . 2 . . . . . 104 LYS HG2 . 52910 1 1263 . 1 . 1 105 105 LYS HG3 H 1 1.548 0.020 . 2 . . . . . 104 LYS HG3 . 52910 1 1264 . 1 . 1 105 105 LYS HD2 H 1 1.819 0.020 . 2 . . . . . 104 LYS HD2 . 52910 1 1265 . 1 . 1 105 105 LYS HD3 H 1 1.903 0.020 . 2 . . . . . 104 LYS HD3 . 52910 1 1266 . 1 . 1 105 105 LYS HE2 H 1 3.259 0.020 . 2 . . . . . 104 LYS HE2 . 52910 1 1267 . 1 . 1 105 105 LYS HE3 H 1 3.361 0.020 . 2 . . . . . 104 LYS HE3 . 52910 1 1268 . 1 . 1 105 105 LYS C C 13 176.040 0.400 . 1 . . . . . 104 LYS C . 52910 1 1269 . 1 . 1 105 105 LYS CA C 13 55.878 0.400 . 1 . . . . . 104 LYS CA . 52910 1 1270 . 1 . 1 105 105 LYS CB C 13 31.344 0.400 . 1 . . . . . 104 LYS CB . 52910 1 1271 . 1 . 1 105 105 LYS CG C 13 24.567 0.400 . 1 . . . . . 104 LYS CG . 52910 1 1272 . 1 . 1 105 105 LYS CD C 13 28.437 0.400 . 1 . . . . . 104 LYS CD . 52910 1 1273 . 1 . 1 105 105 LYS CE C 13 42.100 0.400 . 1 . . . . . 104 LYS CE . 52910 1 1274 . 1 . 1 105 105 LYS N N 15 115.787 0.400 . 1 . . . . . 104 LYS N . 52910 1 1275 . 1 . 1 106 106 ASP H H 1 7.939 0.020 . 1 . . . . . 105 ASP H . 52910 1 1276 . 1 . 1 106 106 ASP HA H 1 4.315 0.020 . 1 . . . . . 105 ASP HA . 52910 1 1277 . 1 . 1 106 106 ASP HB2 H 1 2.320 0.020 . 2 . . . . . 105 ASP HB2 . 52910 1 1278 . 1 . 1 106 106 ASP HB3 H 1 3.145 0.020 . 2 . . . . . 105 ASP HB3 . 52910 1 1279 . 1 . 1 106 106 ASP C C 13 174.576 0.400 . 1 . . . . . 105 ASP C . 52910 1 1280 . 1 . 1 106 106 ASP CA C 13 54.536 0.400 . 1 . . . . . 105 ASP CA . 52910 1 1281 . 1 . 1 106 106 ASP CB C 13 39.772 0.400 . 1 . . . . . 105 ASP CB . 52910 1 1282 . 1 . 1 106 106 ASP N N 15 120.814 0.400 . 1 . . . . . 105 ASP N . 52910 1 1283 . 1 . 1 107 107 SER H H 1 7.560 0.020 . 1 . . . . . 106 SER H . 52910 1 1284 . 1 . 1 107 107 SER HA H 1 4.597 0.020 . 1 . . . . . 106 SER HA . 52910 1 1285 . 1 . 1 107 107 SER HB2 H 1 3.318 0.020 . 2 . . . . . 106 SER HB2 . 52910 1 1286 . 1 . 1 107 107 SER HB3 H 1 3.792 0.020 . 2 . . . . . 106 SER HB3 . 52910 1 1287 . 1 . 1 107 107 SER C C 13 173.188 0.400 . 1 . . . . . 106 SER C . 52910 1 1288 . 1 . 1 107 107 SER CA C 13 57.095 0.400 . 1 . . . . . 106 SER CA . 52910 1 1289 . 1 . 1 107 107 SER CB C 13 65.468 0.400 . 1 . . . . . 106 SER CB . 52910 1 1290 . 1 . 1 107 107 SER N N 15 109.186 0.400 . 1 . . . . . 106 SER N . 52910 1 1291 . 1 . 1 108 108 ASP H H 1 8.455 0.020 . 1 . . . . . 107 ASP H . 52910 1 1292 . 1 . 1 108 108 ASP HA H 1 4.662 0.020 . 1 . . . . . 107 ASP HA . 52910 1 1293 . 1 . 1 108 108 ASP HB2 H 1 2.621 0.020 . 2 . . . . . 107 ASP HB2 . 52910 1 1294 . 1 . 1 108 108 ASP HB3 H 1 2.700 0.020 . 2 . . . . . 107 ASP HB3 . 52910 1 1295 . 1 . 1 108 108 ASP C C 13 176.121 0.400 . 1 . . . . . 107 ASP C . 52910 1 1296 . 1 . 1 108 108 ASP CA C 13 54.691 0.400 . 1 . . . . . 107 ASP CA . 52910 1 1297 . 1 . 1 108 108 ASP CB C 13 41.712 0.400 . 1 . . . . . 107 ASP CB . 52910 1 1298 . 1 . 1 108 108 ASP N N 15 122.237 0.400 . 1 . . . . . 107 ASP N . 52910 1 1299 . 1 . 1 109 109 ASP H H 1 8.378 0.020 . 1 . . . . . 108 ASP H . 52910 1 1300 . 1 . 1 109 109 ASP HA H 1 4.855 0.020 . 1 . . . . . 108 ASP HA . 52910 1 1301 . 1 . 1 109 109 ASP HB2 H 1 2.681 0.020 . 2 . . . . . 108 ASP HB2 . 52910 1 1302 . 1 . 1 109 109 ASP HB3 H 1 2.798 0.020 . 2 . . . . . 108 ASP HB3 . 52910 1 1303 . 1 . 1 109 109 ASP C C 13 174.205 0.400 . 1 . . . . . 108 ASP C . 52910 1 1304 . 1 . 1 109 109 ASP CA C 13 53.182 0.400 . 1 . . . . . 108 ASP CA . 52910 1 1305 . 1 . 1 109 109 ASP CB C 13 41.267 0.400 . 1 . . . . . 108 ASP CB . 52910 1 1306 . 1 . 1 109 109 ASP N N 15 120.165 0.400 . 1 . . . . . 108 ASP N . 52910 1 1307 . 1 . 1 110 110 VAL H H 1 7.438 0.020 . 1 . . . . . 109 VAL H . 52910 1 1308 . 1 . 1 110 110 VAL HA H 1 4.048 0.020 . 1 . . . . . 109 VAL HA . 52910 1 1309 . 1 . 1 110 110 VAL HB H 1 1.755 0.020 . 1 . . . . . 109 VAL HB . 52910 1 1310 . 1 . 1 110 110 VAL HG11 H 1 0.971 0.020 . 2 . . . . . 109 VAL HG11 . 52910 1 1311 . 1 . 1 110 110 VAL HG12 H 1 0.971 0.020 . 2 . . . . . 109 VAL HG12 . 52910 1 1312 . 1 . 1 110 110 VAL HG13 H 1 0.971 0.020 . 2 . . . . . 109 VAL HG13 . 52910 1 1313 . 1 . 1 110 110 VAL HG21 H 1 0.814 0.020 . 2 . . . . . 109 VAL HG21 . 52910 1 1314 . 1 . 1 110 110 VAL HG22 H 1 0.814 0.020 . 2 . . . . . 109 VAL HG22 . 52910 1 1315 . 1 . 1 110 110 VAL HG23 H 1 0.814 0.020 . 2 . . . . . 109 VAL HG23 . 52910 1 1316 . 1 . 1 110 110 VAL C C 13 173.814 0.400 . 1 . . . . . 109 VAL C . 52910 1 1317 . 1 . 1 110 110 VAL CA C 13 59.338 0.400 . 1 . . . . . 109 VAL CA . 52910 1 1318 . 1 . 1 110 110 VAL CB C 13 34.749 0.400 . 1 . . . . . 109 VAL CB . 52910 1 1319 . 1 . 1 110 110 VAL CG1 C 13 20.670 0.400 . 2 . . . . . 109 VAL CG1 . 52910 1 1320 . 1 . 1 110 110 VAL CG2 C 13 21.516 0.400 . 2 . . . . . 109 VAL CG2 . 52910 1 1321 . 1 . 1 110 110 VAL N N 15 120.777 0.400 . 1 . . . . . 109 VAL N . 52910 1 1322 . 1 . 1 111 111 PRO HA H 1 4.405 0.020 . 1 . . . . . 110 PRO HA . 52910 1 1323 . 1 . 1 111 111 PRO HB2 H 1 2.020 0.020 . 2 . . . . . 110 PRO HB2 . 52910 1 1324 . 1 . 1 111 111 PRO HB3 H 1 1.851 0.020 . 2 . . . . . 110 PRO HB3 . 52910 1 1325 . 1 . 1 111 111 PRO HG2 H 1 1.589 0.020 . 2 . . . . . 110 PRO HG2 . 52910 1 1326 . 1 . 1 111 111 PRO HG3 H 1 1.973 0.020 . 2 . . . . . 110 PRO HG3 . 52910 1 1327 . 1 . 1 111 111 PRO HD2 H 1 3.565 0.020 . 2 . . . . . 110 PRO HD2 . 52910 1 1328 . 1 . 1 111 111 PRO HD3 H 1 3.088 0.020 . 2 . . . . . 110 PRO HD3 . 52910 1 1329 . 1 . 1 111 111 PRO C C 13 176.119 0.400 . 1 . . . . . 110 PRO C . 52910 1 1330 . 1 . 1 111 111 PRO CA C 13 63.965 0.400 . 1 . . . . . 110 PRO CA . 52910 1 1331 . 1 . 1 111 111 PRO CB C 13 32.399 0.400 . 1 . . . . . 110 PRO CB . 52910 1 1332 . 1 . 1 111 111 PRO CG C 13 28.631 0.400 . 1 . . . . . 110 PRO CG . 52910 1 1333 . 1 . 1 111 111 PRO CD C 13 50.766 0.400 . 1 . . . . . 110 PRO CD . 52910 1 1334 . 1 . 1 112 112 MET H H 1 8.182 0.020 . 1 . . . . . 111 MET H . 52910 1 1335 . 1 . 1 112 112 MET HA H 1 5.713 0.020 . 1 . . . . . 111 MET HA . 52910 1 1336 . 1 . 1 112 112 MET HB2 H 1 2.108 0.020 . 2 . . . . . 111 MET HB2 . 52910 1 1337 . 1 . 1 112 112 MET HB3 H 1 2.143 0.020 . 2 . . . . . 111 MET HB3 . 52910 1 1338 . 1 . 1 112 112 MET HG2 H 1 2.665 0.020 . 2 . . . . . 111 MET HG2 . 52910 1 1339 . 1 . 1 112 112 MET HG3 H 1 2.744 0.020 . 2 . . . . . 111 MET HG3 . 52910 1 1340 . 1 . 1 112 112 MET HE1 H 1 1.876 0.020 . 1 . . . . . 111 MET HE1 . 52910 1 1341 . 1 . 1 112 112 MET HE2 H 1 1.876 0.020 . 1 . . . . . 111 MET HE2 . 52910 1 1342 . 1 . 1 112 112 MET HE3 H 1 1.876 0.020 . 1 . . . . . 111 MET HE3 . 52910 1 1343 . 1 . 1 112 112 MET C C 13 174.126 0.400 . 1 . . . . . 111 MET C . 52910 1 1344 . 1 . 1 112 112 MET CA C 13 55.172 0.400 . 1 . . . . . 111 MET CA . 52910 1 1345 . 1 . 1 112 112 MET CB C 13 38.272 0.400 . 1 . . . . . 111 MET CB . 52910 1 1346 . 1 . 1 112 112 MET CG C 13 33.027 0.400 . 1 . . . . . 111 MET CG . 52910 1 1347 . 1 . 1 112 112 MET CE C 13 17.679 0.400 . 1 . . . . . 111 MET CE . 52910 1 1348 . 1 . 1 112 112 MET N N 15 122.298 0.400 . 1 . . . . . 111 MET N . 52910 1 1349 . 1 . 1 113 113 VAL H H 1 8.158 0.020 . 1 . . . . . 112 VAL H . 52910 1 1350 . 1 . 1 113 113 VAL HA H 1 4.308 0.020 . 1 . . . . . 112 VAL HA . 52910 1 1351 . 1 . 1 113 113 VAL HB H 1 1.767 0.020 . 1 . . . . . 112 VAL HB . 52910 1 1352 . 1 . 1 113 113 VAL HG11 H 1 0.763 0.020 . 2 . . . . . 112 VAL HG11 . 52910 1 1353 . 1 . 1 113 113 VAL HG12 H 1 0.763 0.020 . 2 . . . . . 112 VAL HG12 . 52910 1 1354 . 1 . 1 113 113 VAL HG13 H 1 0.763 0.020 . 2 . . . . . 112 VAL HG13 . 52910 1 1355 . 1 . 1 113 113 VAL HG21 H 1 0.804 0.020 . 2 . . . . . 112 VAL HG21 . 52910 1 1356 . 1 . 1 113 113 VAL HG22 H 1 0.804 0.020 . 2 . . . . . 112 VAL HG22 . 52910 1 1357 . 1 . 1 113 113 VAL HG23 H 1 0.804 0.020 . 2 . . . . . 112 VAL HG23 . 52910 1 1358 . 1 . 1 113 113 VAL C C 13 173.151 0.400 . 1 . . . . . 112 VAL C . 52910 1 1359 . 1 . 1 113 113 VAL CA C 13 61.373 0.400 . 1 . . . . . 112 VAL CA . 52910 1 1360 . 1 . 1 113 113 VAL CB C 13 37.648 0.400 . 1 . . . . . 112 VAL CB . 52910 1 1361 . 1 . 1 113 113 VAL CG1 C 13 21.280 0.400 . 2 . . . . . 112 VAL CG1 . 52910 1 1362 . 1 . 1 113 113 VAL CG2 C 13 22.937 0.400 . 2 . . . . . 112 VAL CG2 . 52910 1 1363 . 1 . 1 113 113 VAL N N 15 118.985 0.400 . 1 . . . . . 112 VAL N . 52910 1 1364 . 1 . 1 114 114 LEU H H 1 8.981 0.020 . 1 . . . . . 113 LEU H . 52910 1 1365 . 1 . 1 114 114 LEU HA H 1 5.148 0.020 . 1 . . . . . 113 LEU HA . 52910 1 1366 . 1 . 1 114 114 LEU HB2 H 1 1.450 0.020 . 2 . . . . . 113 LEU HB2 . 52910 1 1367 . 1 . 1 114 114 LEU HB3 H 1 2.478 0.020 . 2 . . . . . 113 LEU HB3 . 52910 1 1368 . 1 . 1 114 114 LEU HG H 1 2.007 0.020 . 1 . . . . . 113 LEU HG . 52910 1 1369 . 1 . 1 114 114 LEU HD11 H 1 1.007 0.020 . 2 . . . . . 113 LEU HD11 . 52910 1 1370 . 1 . 1 114 114 LEU HD12 H 1 1.007 0.020 . 2 . . . . . 113 LEU HD12 . 52910 1 1371 . 1 . 1 114 114 LEU HD13 H 1 1.007 0.020 . 2 . . . . . 113 LEU HD13 . 52910 1 1372 . 1 . 1 114 114 LEU HD21 H 1 1.315 0.020 . 2 . . . . . 113 LEU HD21 . 52910 1 1373 . 1 . 1 114 114 LEU HD22 H 1 1.315 0.020 . 2 . . . . . 113 LEU HD22 . 52910 1 1374 . 1 . 1 114 114 LEU HD23 H 1 1.315 0.020 . 2 . . . . . 113 LEU HD23 . 52910 1 1375 . 1 . 1 114 114 LEU C C 13 173.649 0.400 . 1 . . . . . 113 LEU C . 52910 1 1376 . 1 . 1 114 114 LEU CA C 13 53.959 0.400 . 1 . . . . . 113 LEU CA . 52910 1 1377 . 1 . 1 114 114 LEU CB C 13 44.067 0.400 . 1 . . . . . 113 LEU CB . 52910 1 1378 . 1 . 1 114 114 LEU CG C 13 28.010 0.400 . 1 . . . . . 113 LEU CG . 52910 1 1379 . 1 . 1 114 114 LEU CD1 C 13 27.159 0.400 . 2 . . . . . 113 LEU CD1 . 52910 1 1380 . 1 . 1 114 114 LEU CD2 C 13 25.327 0.400 . 2 . . . . . 113 LEU CD2 . 52910 1 1381 . 1 . 1 114 114 LEU N N 15 129.005 0.400 . 1 . . . . . 113 LEU N . 52910 1 1382 . 1 . 1 115 115 VAL H H 1 9.275 0.020 . 1 . . . . . 114 VAL H . 52910 1 1383 . 1 . 1 115 115 VAL HA H 1 5.043 0.020 . 1 . . . . . 114 VAL HA . 52910 1 1384 . 1 . 1 115 115 VAL HB H 1 1.689 0.020 . 1 . . . . . 114 VAL HB . 52910 1 1385 . 1 . 1 115 115 VAL HG11 H 1 0.591 0.020 . 2 . . . . . 114 VAL HG11 . 52910 1 1386 . 1 . 1 115 115 VAL HG12 H 1 0.591 0.020 . 2 . . . . . 114 VAL HG12 . 52910 1 1387 . 1 . 1 115 115 VAL HG13 H 1 0.591 0.020 . 2 . . . . . 114 VAL HG13 . 52910 1 1388 . 1 . 1 115 115 VAL HG21 H 1 0.690 0.020 . 2 . . . . . 114 VAL HG21 . 52910 1 1389 . 1 . 1 115 115 VAL HG22 H 1 0.690 0.020 . 2 . . . . . 114 VAL HG22 . 52910 1 1390 . 1 . 1 115 115 VAL HG23 H 1 0.690 0.020 . 2 . . . . . 114 VAL HG23 . 52910 1 1391 . 1 . 1 115 115 VAL C C 13 173.864 0.400 . 1 . . . . . 114 VAL C . 52910 1 1392 . 1 . 1 115 115 VAL CA C 13 60.219 0.400 . 1 . . . . . 114 VAL CA . 52910 1 1393 . 1 . 1 115 115 VAL CB C 13 35.116 0.400 . 1 . . . . . 114 VAL CB . 52910 1 1394 . 1 . 1 115 115 VAL CG1 C 13 23.036 0.400 . 2 . . . . . 114 VAL CG1 . 52910 1 1395 . 1 . 1 115 115 VAL CG2 C 13 23.554 0.400 . 2 . . . . . 114 VAL CG2 . 52910 1 1396 . 1 . 1 115 115 VAL N N 15 128.158 0.400 . 1 . . . . . 114 VAL N . 52910 1 1397 . 1 . 1 116 116 GLY H H 1 8.158 0.020 . 1 . . . . . 115 GLY H . 52910 1 1398 . 1 . 1 116 116 GLY HA2 H 1 2.866 0.020 . 2 . . . . . 115 GLY HA2 . 52910 1 1399 . 1 . 1 116 116 GLY HA3 H 1 2.376 0.020 . 2 . . . . . 115 GLY HA3 . 52910 1 1400 . 1 . 1 116 116 GLY C C 13 170.943 0.400 . 1 . . . . . 115 GLY C . 52910 1 1401 . 1 . 1 116 116 GLY CA C 13 45.686 0.400 . 1 . . . . . 115 GLY CA . 52910 1 1402 . 1 . 1 116 116 GLY N N 15 113.377 0.400 . 1 . . . . . 115 GLY N . 52910 1 1403 . 1 . 1 117 117 ASN H H 1 8.783 0.020 . 1 . . . . . 116 ASN H . 52910 1 1404 . 1 . 1 117 117 ASN HA H 1 5.620 0.020 . 1 . . . . . 116 ASN HA . 52910 1 1405 . 1 . 1 117 117 ASN HB2 H 1 2.186 0.020 . 2 . . . . . 116 ASN HB2 . 52910 1 1406 . 1 . 1 117 117 ASN HB3 H 1 2.476 0.020 . 2 . . . . . 116 ASN HB3 . 52910 1 1407 . 1 . 1 117 117 ASN HD21 H 1 7.663 0.020 . 2 . . . . . 116 ASN HD21 . 52910 1 1408 . 1 . 1 117 117 ASN HD22 H 1 8.802 0.020 . 2 . . . . . 116 ASN HD22 . 52910 1 1409 . 1 . 1 117 117 ASN C C 13 174.605 0.400 . 1 . . . . . 116 ASN C . 52910 1 1410 . 1 . 1 117 117 ASN CA C 13 51.653 0.400 . 1 . . . . . 116 ASN CA . 52910 1 1411 . 1 . 1 117 117 ASN CB C 13 41.569 0.400 . 1 . . . . . 116 ASN CB . 52910 1 1412 . 1 . 1 117 117 ASN N N 15 121.404 0.400 . 1 . . . . . 116 ASN N . 52910 1 1413 . 1 . 1 117 117 ASN ND2 N 15 121.259 0.400 . 1 . . . . . 116 ASN ND2 . 52910 1 1414 . 1 . 1 118 118 LYS H H 1 7.304 0.020 . 1 . . . . . 117 LYS H . 52910 1 1415 . 1 . 1 118 118 LYS HA H 1 4.324 0.020 . 1 . . . . . 117 LYS HA . 52910 1 1416 . 1 . 1 118 118 LYS HB2 H 1 1.662 0.020 . 2 . . . . . 117 LYS HB2 . 52910 1 1417 . 1 . 1 118 118 LYS HB3 H 1 2.401 0.020 . 2 . . . . . 117 LYS HB3 . 52910 1 1418 . 1 . 1 118 118 LYS HD2 H 1 1.452 0.020 . 2 . . . . . 117 LYS HD2 . 52910 1 1419 . 1 . 1 118 118 LYS HD3 H 1 0.988 0.020 . 2 . . . . . 117 LYS HD3 . 52910 1 1420 . 1 . 1 118 118 LYS C C 13 177.319 0.400 . 1 . . . . . 117 LYS C . 52910 1 1421 . 1 . 1 118 118 LYS CA C 13 57.432 0.400 . 1 . . . . . 117 LYS CA . 52910 1 1422 . 1 . 1 118 118 LYS CB C 13 29.738 0.400 . 1 . . . . . 117 LYS CB . 52910 1 1423 . 1 . 1 118 118 LYS CD C 13 30.549 0.400 . 1 . . . . . 117 LYS CD . 52910 1 1424 . 1 . 1 118 118 LYS N N 15 111.965 0.400 . 1 . . . . . 117 LYS N . 52910 1 1425 . 1 . 1 119 119 CYS H H 1 8.574 0.020 . 1 . . . . . 118 CYS H . 52910 1 1426 . 1 . 1 119 119 CYS HA H 1 4.215 0.020 . 1 . . . . . 118 CYS HA . 52910 1 1427 . 1 . 1 119 119 CYS HB2 H 1 2.669 0.020 . 2 . . . . . 118 CYS HB2 . 52910 1 1428 . 1 . 1 119 119 CYS HB3 H 1 2.918 0.020 . 2 . . . . . 118 CYS HB3 . 52910 1 1429 . 1 . 1 119 119 CYS C C 13 173.337 0.400 . 1 . . . . . 118 CYS C . 52910 1 1430 . 1 . 1 119 119 CYS CA C 13 61.625 0.400 . 1 . . . . . 118 CYS CA . 52910 1 1431 . 1 . 1 119 119 CYS CB C 13 26.525 0.400 . 1 . . . . . 118 CYS CB . 52910 1 1432 . 1 . 1 119 119 CYS N N 15 113.809 0.400 . 1 . . . . . 118 CYS N . 52910 1 1433 . 1 . 1 120 120 ASP H H 1 8.559 0.020 . 1 . . . . . 119 ASP H . 52910 1 1434 . 1 . 1 120 120 ASP HA H 1 4.476 0.020 . 1 . . . . . 119 ASP HA . 52910 1 1435 . 1 . 1 120 120 ASP HB2 H 1 2.584 0.020 . 2 . . . . . 119 ASP HB2 . 52910 1 1436 . 1 . 1 120 120 ASP C C 13 175.689 0.400 . 1 . . . . . 119 ASP C . 52910 1 1437 . 1 . 1 120 120 ASP CA C 13 54.009 0.400 . 1 . . . . . 119 ASP CA . 52910 1 1438 . 1 . 1 120 120 ASP CB C 13 41.534 0.400 . 1 . . . . . 119 ASP CB . 52910 1 1439 . 1 . 1 120 120 ASP N N 15 116.343 0.400 . 1 . . . . . 119 ASP N . 52910 1 1440 . 1 . 1 121 121 LEU H H 1 7.827 0.020 . 1 . . . . . 120 LEU H . 52910 1 1441 . 1 . 1 121 121 LEU HA H 1 4.474 0.020 . 1 . . . . . 120 LEU HA . 52910 1 1442 . 1 . 1 121 121 LEU HB2 H 1 1.458 0.020 . 2 . . . . . 120 LEU HB2 . 52910 1 1443 . 1 . 1 121 121 LEU HB3 H 1 1.959 0.020 . 2 . . . . . 120 LEU HB3 . 52910 1 1444 . 1 . 1 121 121 LEU HG H 1 1.765 0.020 . 1 . . . . . 120 LEU HG . 52910 1 1445 . 1 . 1 121 121 LEU HD11 H 1 0.882 0.020 . 2 . . . . . 120 LEU HD11 . 52910 1 1446 . 1 . 1 121 121 LEU HD12 H 1 0.882 0.020 . 2 . . . . . 120 LEU HD12 . 52910 1 1447 . 1 . 1 121 121 LEU HD13 H 1 0.882 0.020 . 2 . . . . . 120 LEU HD13 . 52910 1 1448 . 1 . 1 121 121 LEU HD21 H 1 0.916 0.020 . 2 . . . . . 120 LEU HD21 . 52910 1 1449 . 1 . 1 121 121 LEU HD22 H 1 0.916 0.020 . 2 . . . . . 120 LEU HD22 . 52910 1 1450 . 1 . 1 121 121 LEU HD23 H 1 0.916 0.020 . 2 . . . . . 120 LEU HD23 . 52910 1 1451 . 1 . 1 121 121 LEU C C 13 176.391 0.400 . 1 . . . . . 120 LEU C . 52910 1 1452 . 1 . 1 121 121 LEU CA C 13 53.146 0.400 . 1 . . . . . 120 LEU CA . 52910 1 1453 . 1 . 1 121 121 LEU CB C 13 41.518 0.400 . 1 . . . . . 120 LEU CB . 52910 1 1454 . 1 . 1 121 121 LEU CG C 13 26.406 0.400 . 1 . . . . . 120 LEU CG . 52910 1 1455 . 1 . 1 121 121 LEU CD1 C 13 27.046 0.400 . 2 . . . . . 120 LEU CD1 . 52910 1 1456 . 1 . 1 121 121 LEU CD2 C 13 22.265 0.400 . 2 . . . . . 120 LEU CD2 . 52910 1 1457 . 1 . 1 121 121 LEU N N 15 121.493 0.400 . 1 . . . . . 120 LEU N . 52910 1 1458 . 1 . 1 122 122 PRO HA H 1 4.546 0.020 . 1 . . . . . 121 PRO HA . 52910 1 1459 . 1 . 1 122 122 PRO HB2 H 1 2.263 0.020 . 2 . . . . . 121 PRO HB2 . 52910 1 1460 . 1 . 1 122 122 PRO HB3 H 1 2.107 0.020 . 2 . . . . . 121 PRO HB3 . 52910 1 1461 . 1 . 1 122 122 PRO HG2 H 1 2.010 0.020 . 2 . . . . . 121 PRO HG2 . 52910 1 1462 . 1 . 1 122 122 PRO HG3 H 1 2.152 0.020 . 2 . . . . . 121 PRO HG3 . 52910 1 1463 . 1 . 1 122 122 PRO HD2 H 1 3.855 0.020 . 2 . . . . . 121 PRO HD2 . 52910 1 1464 . 1 . 1 122 122 PRO C C 13 177.257 0.400 . 1 . . . . . 121 PRO C . 52910 1 1465 . 1 . 1 122 122 PRO CA C 13 63.687 0.400 . 1 . . . . . 121 PRO CA . 52910 1 1466 . 1 . 1 122 122 PRO CB C 13 31.814 0.400 . 1 . . . . . 121 PRO CB . 52910 1 1467 . 1 . 1 122 122 PRO CG C 13 27.060 0.400 . 1 . . . . . 121 PRO CG . 52910 1 1468 . 1 . 1 122 122 PRO CD C 13 50.293 0.400 . 1 . . . . . 121 PRO CD . 52910 1 1469 . 1 . 1 123 123 THR H H 1 7.001 0.020 . 1 . . . . . 122 THR H . 52910 1 1470 . 1 . 1 123 123 THR HA H 1 4.379 0.020 . 1 . . . . . 122 THR HA . 52910 1 1471 . 1 . 1 123 123 THR HB H 1 4.250 0.020 . 1 . . . . . 122 THR HB . 52910 1 1472 . 1 . 1 123 123 THR HG21 H 1 1.175 0.020 . 1 . . . . . 122 THR HG21 . 52910 1 1473 . 1 . 1 123 123 THR HG22 H 1 1.175 0.020 . 1 . . . . . 122 THR HG22 . 52910 1 1474 . 1 . 1 123 123 THR HG23 H 1 1.175 0.020 . 1 . . . . . 122 THR HG23 . 52910 1 1475 . 1 . 1 123 123 THR C C 13 172.483 0.400 . 1 . . . . . 122 THR C . 52910 1 1476 . 1 . 1 123 123 THR CA C 13 60.326 0.400 . 1 . . . . . 122 THR CA . 52910 1 1477 . 1 . 1 123 123 THR CB C 13 68.918 0.400 . 1 . . . . . 122 THR CB . 52910 1 1478 . 1 . 1 123 123 THR CG2 C 13 22.132 0.400 . 1 . . . . . 122 THR CG2 . 52910 1 1479 . 1 . 1 123 123 THR N N 15 112.221 0.400 . 1 . . . . . 122 THR N . 52910 1 1480 . 1 . 1 124 124 ARG H H 1 8.036 0.020 . 1 . . . . . 123 ARG H . 52910 1 1481 . 1 . 1 124 124 ARG HA H 1 4.262 0.020 . 1 . . . . . 123 ARG HA . 52910 1 1482 . 1 . 1 124 124 ARG HB2 H 1 1.737 0.020 . 2 . . . . . 123 ARG HB2 . 52910 1 1483 . 1 . 1 124 124 ARG HB3 H 1 1.804 0.020 . 2 . . . . . 123 ARG HB3 . 52910 1 1484 . 1 . 1 124 124 ARG HG2 H 1 1.437 0.020 . 2 . . . . . 123 ARG HG2 . 52910 1 1485 . 1 . 1 124 124 ARG HG3 H 1 1.540 0.020 . 2 . . . . . 123 ARG HG3 . 52910 1 1486 . 1 . 1 124 124 ARG HD2 H 1 3.153 0.020 . 2 . . . . . 123 ARG HD2 . 52910 1 1487 . 1 . 1 124 124 ARG HD3 H 1 3.389 0.020 . 2 . . . . . 123 ARG HD3 . 52910 1 1488 . 1 . 1 124 124 ARG HE H 1 7.314 0.020 . 1 . . . . . 123 ARG HE . 52910 1 1489 . 1 . 1 124 124 ARG C C 13 176.015 0.400 . 1 . . . . . 123 ARG C . 52910 1 1490 . 1 . 1 124 124 ARG CA C 13 55.322 0.400 . 1 . . . . . 123 ARG CA . 52910 1 1491 . 1 . 1 124 124 ARG CB C 13 32.484 0.400 . 1 . . . . . 123 ARG CB . 52910 1 1492 . 1 . 1 124 124 ARG CG C 13 27.069 0.400 . 1 . . . . . 123 ARG CG . 52910 1 1493 . 1 . 1 124 124 ARG CD C 13 44.198 0.400 . 1 . . . . . 123 ARG CD . 52910 1 1494 . 1 . 1 124 124 ARG N N 15 121.504 0.400 . 1 . . . . . 123 ARG N . 52910 1 1495 . 1 . 1 124 124 ARG NE N 15 83.215 0.400 . 1 . . . . . 123 ARG NE . 52910 1 1496 . 1 . 1 125 125 THR H H 1 8.987 0.020 . 1 . . . . . 124 THR H . 52910 1 1497 . 1 . 1 125 125 THR HA H 1 4.493 0.020 . 1 . . . . . 124 THR HA . 52910 1 1498 . 1 . 1 125 125 THR HB H 1 4.301 0.020 . 1 . . . . . 124 THR HB . 52910 1 1499 . 1 . 1 125 125 THR HG21 H 1 1.133 0.020 . 1 . . . . . 124 THR HG21 . 52910 1 1500 . 1 . 1 125 125 THR HG22 H 1 1.133 0.020 . 1 . . . . . 124 THR HG22 . 52910 1 1501 . 1 . 1 125 125 THR HG23 H 1 1.133 0.020 . 1 . . . . . 124 THR HG23 . 52910 1 1502 . 1 . 1 125 125 THR C C 13 174.242 0.400 . 1 . . . . . 124 THR C . 52910 1 1503 . 1 . 1 125 125 THR CA C 13 61.887 0.400 . 1 . . . . . 124 THR CA . 52910 1 1504 . 1 . 1 125 125 THR CB C 13 69.188 0.400 . 1 . . . . . 124 THR CB . 52910 1 1505 . 1 . 1 125 125 THR CG2 C 13 22.274 0.400 . 1 . . . . . 124 THR CG2 . 52910 1 1506 . 1 . 1 125 125 THR N N 15 114.942 0.400 . 1 . . . . . 124 THR N . 52910 1 1507 . 1 . 1 126 126 VAL H H 1 7.496 0.020 . 1 . . . . . 125 VAL H . 52910 1 1508 . 1 . 1 126 126 VAL HA H 1 3.958 0.020 . 1 . . . . . 125 VAL HA . 52910 1 1509 . 1 . 1 126 126 VAL HB H 1 1.774 0.020 . 1 . . . . . 125 VAL HB . 52910 1 1510 . 1 . 1 126 126 VAL HG11 H 1 0.689 0.020 . 2 . . . . . 125 VAL HG11 . 52910 1 1511 . 1 . 1 126 126 VAL HG12 H 1 0.689 0.020 . 2 . . . . . 125 VAL HG12 . 52910 1 1512 . 1 . 1 126 126 VAL HG13 H 1 0.689 0.020 . 2 . . . . . 125 VAL HG13 . 52910 1 1513 . 1 . 1 126 126 VAL HG21 H 1 -0.132 0.020 . 2 . . . . . 125 VAL HG21 . 52910 1 1514 . 1 . 1 126 126 VAL HG22 H 1 -0.132 0.020 . 2 . . . . . 125 VAL HG22 . 52910 1 1515 . 1 . 1 126 126 VAL HG23 H 1 -0.132 0.020 . 2 . . . . . 125 VAL HG23 . 52910 1 1516 . 1 . 1 126 126 VAL C C 13 174.899 0.400 . 1 . . . . . 125 VAL C . 52910 1 1517 . 1 . 1 126 126 VAL CA C 13 61.392 0.400 . 1 . . . . . 125 VAL CA . 52910 1 1518 . 1 . 1 126 126 VAL CB C 13 33.317 0.400 . 1 . . . . . 125 VAL CB . 52910 1 1519 . 1 . 1 126 126 VAL CG1 C 13 20.169 0.400 . 2 . . . . . 125 VAL CG1 . 52910 1 1520 . 1 . 1 126 126 VAL CG2 C 13 19.397 0.400 . 2 . . . . . 125 VAL CG2 . 52910 1 1521 . 1 . 1 126 126 VAL N N 15 123.460 0.400 . 1 . . . . . 125 VAL N . 52910 1 1522 . 1 . 1 127 127 ASP H H 1 8.583 0.020 . 1 . . . . . 126 ASP H . 52910 1 1523 . 1 . 1 127 127 ASP HA H 1 4.534 0.020 . 1 . . . . . 126 ASP HA . 52910 1 1524 . 1 . 1 127 127 ASP HB2 H 1 2.667 0.020 . 2 . . . . . 126 ASP HB2 . 52910 1 1525 . 1 . 1 127 127 ASP HB3 H 1 2.722 0.020 . 2 . . . . . 126 ASP HB3 . 52910 1 1526 . 1 . 1 127 127 ASP C C 13 176.886 0.400 . 1 . . . . . 126 ASP C . 52910 1 1527 . 1 . 1 127 127 ASP CA C 13 53.984 0.400 . 1 . . . . . 126 ASP CA . 52910 1 1528 . 1 . 1 127 127 ASP CB C 13 42.233 0.400 . 1 . . . . . 126 ASP CB . 52910 1 1529 . 1 . 1 127 127 ASP N N 15 127.979 0.400 . 1 . . . . . 126 ASP N . 52910 1 1530 . 1 . 1 128 128 THR H H 1 8.795 0.020 . 1 . . . . . 127 THR H . 52910 1 1531 . 1 . 1 128 128 THR HA H 1 3.830 0.020 . 1 . . . . . 127 THR HA . 52910 1 1532 . 1 . 1 128 128 THR HB H 1 4.181 0.020 . 1 . . . . . 127 THR HB . 52910 1 1533 . 1 . 1 128 128 THR HG21 H 1 1.376 0.020 . 1 . . . . . 127 THR HG21 . 52910 1 1534 . 1 . 1 128 128 THR HG22 H 1 1.376 0.020 . 1 . . . . . 127 THR HG22 . 52910 1 1535 . 1 . 1 128 128 THR HG23 H 1 1.376 0.020 . 1 . . . . . 127 THR HG23 . 52910 1 1536 . 1 . 1 128 128 THR C C 13 176.169 0.400 . 1 . . . . . 127 THR C . 52910 1 1537 . 1 . 1 128 128 THR CA C 13 66.593 0.400 . 1 . . . . . 127 THR CA . 52910 1 1538 . 1 . 1 128 128 THR CB C 13 68.913 0.400 . 1 . . . . . 127 THR CB . 52910 1 1539 . 1 . 1 128 128 THR CG2 C 13 22.372 0.400 . 1 . . . . . 127 THR CG2 . 52910 1 1540 . 1 . 1 128 128 THR N N 15 120.977 0.400 . 1 . . . . . 127 THR N . 52910 1 1541 . 1 . 1 129 129 LYS H H 1 8.487 0.020 . 1 . . . . . 128 LYS H . 52910 1 1542 . 1 . 1 129 129 LYS HA H 1 4.119 0.020 . 1 . . . . . 128 LYS HA . 52910 1 1543 . 1 . 1 129 129 LYS HB2 H 1 1.867 0.020 . 2 . . . . . 128 LYS HB2 . 52910 1 1544 . 1 . 1 129 129 LYS HG2 H 1 1.383 0.020 . 2 . . . . . 128 LYS HG2 . 52910 1 1545 . 1 . 1 129 129 LYS HG3 H 1 1.499 0.020 . 2 . . . . . 128 LYS HG3 . 52910 1 1546 . 1 . 1 129 129 LYS HD2 H 1 1.693 0.020 . 2 . . . . . 128 LYS HD2 . 52910 1 1547 . 1 . 1 129 129 LYS HE2 H 1 2.980 0.020 . 2 . . . . . 128 LYS HE2 . 52910 1 1548 . 1 . 1 129 129 LYS C C 13 179.056 0.400 . 1 . . . . . 128 LYS C . 52910 1 1549 . 1 . 1 129 129 LYS CA C 13 60.021 0.400 . 1 . . . . . 128 LYS CA . 52910 1 1550 . 1 . 1 129 129 LYS CB C 13 32.019 0.400 . 1 . . . . . 128 LYS CB . 52910 1 1551 . 1 . 1 129 129 LYS CG C 13 24.966 0.400 . 1 . . . . . 128 LYS CG . 52910 1 1552 . 1 . 1 129 129 LYS CD C 13 29.362 0.400 . 1 . . . . . 128 LYS CD . 52910 1 1553 . 1 . 1 129 129 LYS CE C 13 41.965 0.400 . 1 . . . . . 128 LYS CE . 52910 1 1554 . 1 . 1 129 129 LYS N N 15 122.158 0.400 . 1 . . . . . 128 LYS N . 52910 1 1555 . 1 . 1 130 130 GLN H H 1 7.574 0.020 . 1 . . . . . 129 GLN H . 52910 1 1556 . 1 . 1 130 130 GLN HA H 1 4.019 0.020 . 1 . . . . . 129 GLN HA . 52910 1 1557 . 1 . 1 130 130 GLN HB2 H 1 1.959 0.020 . 2 . . . . . 129 GLN HB2 . 52910 1 1558 . 1 . 1 130 130 GLN HB3 H 1 2.042 0.020 . 2 . . . . . 129 GLN HB3 . 52910 1 1559 . 1 . 1 130 130 GLN HG2 H 1 2.295 0.020 . 2 . . . . . 129 GLN HG2 . 52910 1 1560 . 1 . 1 130 130 GLN HG3 H 1 2.397 0.020 . 2 . . . . . 129 GLN HG3 . 52910 1 1561 . 1 . 1 130 130 GLN HE21 H 1 7.605 0.020 . 2 . . . . . 129 GLN HE21 . 52910 1 1562 . 1 . 1 130 130 GLN HE22 H 1 6.895 0.020 . 2 . . . . . 129 GLN HE22 . 52910 1 1563 . 1 . 1 130 130 GLN C C 13 179.184 0.400 . 1 . . . . . 129 GLN C . 52910 1 1564 . 1 . 1 130 130 GLN CA C 13 58.597 0.400 . 1 . . . . . 129 GLN CA . 52910 1 1565 . 1 . 1 130 130 GLN CB C 13 28.653 0.400 . 1 . . . . . 129 GLN CB . 52910 1 1566 . 1 . 1 130 130 GLN CG C 13 34.412 0.400 . 1 . . . . . 129 GLN CG . 52910 1 1567 . 1 . 1 130 130 GLN N N 15 118.349 0.400 . 1 . . . . . 129 GLN N . 52910 1 1568 . 1 . 1 130 130 GLN NE2 N 15 111.623 0.400 . 1 . . . . . 129 GLN NE2 . 52910 1 1569 . 1 . 1 131 131 ALA H H 1 7.275 0.020 . 1 . . . . . 130 ALA H . 52910 1 1570 . 1 . 1 131 131 ALA HA H 1 3.855 0.020 . 1 . . . . . 130 ALA HA . 52910 1 1571 . 1 . 1 131 131 ALA HB1 H 1 0.661 0.020 . 1 . . . . . 130 ALA HB1 . 52910 1 1572 . 1 . 1 131 131 ALA HB2 H 1 0.661 0.020 . 1 . . . . . 130 ALA HB2 . 52910 1 1573 . 1 . 1 131 131 ALA HB3 H 1 0.661 0.020 . 1 . . . . . 130 ALA HB3 . 52910 1 1574 . 1 . 1 131 131 ALA C C 13 177.923 0.400 . 1 . . . . . 130 ALA C . 52910 1 1575 . 1 . 1 131 131 ALA CA C 13 55.077 0.400 . 1 . . . . . 130 ALA CA . 52910 1 1576 . 1 . 1 131 131 ALA CB C 13 18.476 0.400 . 1 . . . . . 130 ALA CB . 52910 1 1577 . 1 . 1 131 131 ALA N N 15 122.465 0.400 . 1 . . . . . 130 ALA N . 52910 1 1578 . 1 . 1 132 132 HIS H H 1 8.330 0.020 . 1 . . . . . 131 HIS H . 52910 1 1579 . 1 . 1 132 132 HIS HA H 1 3.983 0.020 . 1 . . . . . 131 HIS HA . 52910 1 1580 . 1 . 1 132 132 HIS HB2 H 1 3.262 0.020 . 2 . . . . . 131 HIS HB2 . 52910 1 1581 . 1 . 1 132 132 HIS HB3 H 1 3.302 0.020 . 2 . . . . . 131 HIS HB3 . 52910 1 1582 . 1 . 1 132 132 HIS HD2 H 1 7.295 0.020 . 1 . . . . . 131 HIS HD2 . 52910 1 1583 . 1 . 1 132 132 HIS HE1 H 1 8.361 0.020 . 1 . . . . . 131 HIS HE1 . 52910 1 1584 . 1 . 1 132 132 HIS C C 13 178.341 0.400 . 1 . . . . . 131 HIS C . 52910 1 1585 . 1 . 1 132 132 HIS CA C 13 59.789 0.400 . 1 . . . . . 131 HIS CA . 52910 1 1586 . 1 . 1 132 132 HIS CB C 13 29.541 0.400 . 1 . . . . . 131 HIS CB . 52910 1 1587 . 1 . 1 132 132 HIS CD2 C 13 120.237 0.400 . 1 . . . . . 131 HIS CD2 . 52910 1 1588 . 1 . 1 132 132 HIS CE1 C 13 137.850 0.400 . 1 . . . . . 131 HIS CE1 . 52910 1 1589 . 1 . 1 132 132 HIS N N 15 116.695 0.400 . 1 . . . . . 131 HIS N . 52910 1 1590 . 1 . 1 133 133 GLU H H 1 8.271 0.020 . 1 . . . . . 132 GLU H . 52910 1 1591 . 1 . 1 133 133 GLU HA H 1 3.924 0.020 . 1 . . . . . 132 GLU HA . 52910 1 1592 . 1 . 1 133 133 GLU HB2 H 1 2.078 0.020 . 2 . . . . . 132 GLU HB2 . 52910 1 1593 . 1 . 1 133 133 GLU HG2 H 1 2.339 0.020 . 2 . . . . . 132 GLU HG2 . 52910 1 1594 . 1 . 1 133 133 GLU HG3 H 1 2.423 0.020 . 2 . . . . . 132 GLU HG3 . 52910 1 1595 . 1 . 1 133 133 GLU C C 13 179.099 0.400 . 1 . . . . . 132 GLU C . 52910 1 1596 . 1 . 1 133 133 GLU CA C 13 59.337 0.400 . 1 . . . . . 132 GLU CA . 52910 1 1597 . 1 . 1 133 133 GLU CB C 13 29.077 0.400 . 1 . . . . . 132 GLU CB . 52910 1 1598 . 1 . 1 133 133 GLU CG C 13 36.400 0.400 . 1 . . . . . 132 GLU CG . 52910 1 1599 . 1 . 1 133 133 GLU N N 15 118.757 0.400 . 1 . . . . . 132 GLU N . 52910 1 1600 . 1 . 1 134 134 LEU H H 1 7.726 0.020 . 1 . . . . . 133 LEU H . 52910 1 1601 . 1 . 1 134 134 LEU HA H 1 3.852 0.020 . 1 . . . . . 133 LEU HA . 52910 1 1602 . 1 . 1 134 134 LEU HB2 H 1 1.448 0.020 . 2 . . . . . 133 LEU HB2 . 52910 1 1603 . 1 . 1 134 134 LEU HB3 H 1 1.678 0.020 . 2 . . . . . 133 LEU HB3 . 52910 1 1604 . 1 . 1 134 134 LEU HG H 1 0.753 0.020 . 1 . . . . . 133 LEU HG . 52910 1 1605 . 1 . 1 134 134 LEU HD11 H 1 0.433 0.020 . 2 . . . . . 133 LEU HD11 . 52910 1 1606 . 1 . 1 134 134 LEU HD12 H 1 0.433 0.020 . 2 . . . . . 133 LEU HD12 . 52910 1 1607 . 1 . 1 134 134 LEU HD13 H 1 0.433 0.020 . 2 . . . . . 133 LEU HD13 . 52910 1 1608 . 1 . 1 134 134 LEU HD21 H 1 0.519 0.020 . 2 . . . . . 133 LEU HD21 . 52910 1 1609 . 1 . 1 134 134 LEU HD22 H 1 0.519 0.020 . 2 . . . . . 133 LEU HD22 . 52910 1 1610 . 1 . 1 134 134 LEU HD23 H 1 0.519 0.020 . 2 . . . . . 133 LEU HD23 . 52910 1 1611 . 1 . 1 134 134 LEU C C 13 178.838 0.400 . 1 . . . . . 133 LEU C . 52910 1 1612 . 1 . 1 134 134 LEU CA C 13 57.748 0.400 . 1 . . . . . 133 LEU CA . 52910 1 1613 . 1 . 1 134 134 LEU CB C 13 41.777 0.400 . 1 . . . . . 133 LEU CB . 52910 1 1614 . 1 . 1 134 134 LEU CG C 13 26.432 0.400 . 1 . . . . . 133 LEU CG . 52910 1 1615 . 1 . 1 134 134 LEU CD1 C 13 25.959 0.400 . 2 . . . . . 133 LEU CD1 . 52910 1 1616 . 1 . 1 134 134 LEU CD2 C 13 22.950 0.400 . 2 . . . . . 133 LEU CD2 . 52910 1 1617 . 1 . 1 134 134 LEU N N 15 122.856 0.400 . 1 . . . . . 133 LEU N . 52910 1 1618 . 1 . 1 135 135 ALA H H 1 8.037 0.020 . 1 . . . . . 134 ALA H . 52910 1 1619 . 1 . 1 135 135 ALA HA H 1 3.766 0.020 . 1 . . . . . 134 ALA HA . 52910 1 1620 . 1 . 1 135 135 ALA HB1 H 1 1.714 0.020 . 1 . . . . . 134 ALA HB1 . 52910 1 1621 . 1 . 1 135 135 ALA HB2 H 1 1.714 0.020 . 1 . . . . . 134 ALA HB2 . 52910 1 1622 . 1 . 1 135 135 ALA HB3 H 1 1.714 0.020 . 1 . . . . . 134 ALA HB3 . 52910 1 1623 . 1 . 1 135 135 ALA C C 13 179.859 0.400 . 1 . . . . . 134 ALA C . 52910 1 1624 . 1 . 1 135 135 ALA CA C 13 55.912 0.400 . 1 . . . . . 134 ALA CA . 52910 1 1625 . 1 . 1 135 135 ALA CB C 13 18.366 0.400 . 1 . . . . . 134 ALA CB . 52910 1 1626 . 1 . 1 135 135 ALA N N 15 121.191 0.400 . 1 . . . . . 134 ALA N . 52910 1 1627 . 1 . 1 136 136 LYS H H 1 8.368 0.020 . 1 . . . . . 135 LYS H . 52910 1 1628 . 1 . 1 136 136 LYS HA H 1 4.150 0.020 . 1 . . . . . 135 LYS HA . 52910 1 1629 . 1 . 1 136 136 LYS HG2 H 1 1.640 0.020 . 2 . . . . . 135 LYS HG2 . 52910 1 1630 . 1 . 1 136 136 LYS HG3 H 1 1.855 0.020 . 2 . . . . . 135 LYS HG3 . 52910 1 1631 . 1 . 1 136 136 LYS C C 13 180.115 0.400 . 1 . . . . . 135 LYS C . 52910 1 1632 . 1 . 1 136 136 LYS CA C 13 59.294 0.400 . 1 . . . . . 135 LYS CA . 52910 1 1633 . 1 . 1 136 136 LYS CG C 13 24.976 0.400 . 1 . . . . . 135 LYS CG . 52910 1 1634 . 1 . 1 136 136 LYS N N 15 118.232 0.400 . 1 . . . . . 135 LYS N . 52910 1 1635 . 1 . 1 137 137 SER H H 1 8.020 0.020 . 1 . . . . . 136 SER H . 52910 1 1636 . 1 . 1 137 137 SER HA H 1 4.252 0.020 . 1 . . . . . 136 SER HA . 52910 1 1637 . 1 . 1 137 137 SER HB2 H 1 3.936 0.020 . 2 . . . . . 136 SER HB2 . 52910 1 1638 . 1 . 1 137 137 SER C C 13 176.331 0.400 . 1 . . . . . 136 SER C . 52910 1 1639 . 1 . 1 137 137 SER CA C 13 61.513 0.400 . 1 . . . . . 136 SER CA . 52910 1 1640 . 1 . 1 137 137 SER CB C 13 62.621 0.400 . 1 . . . . . 136 SER CB . 52910 1 1641 . 1 . 1 137 137 SER N N 15 117.591 0.400 . 1 . . . . . 136 SER N . 52910 1 1642 . 1 . 1 138 138 TYR H H 1 7.734 0.020 . 1 . . . . . 137 TYR H . 52910 1 1643 . 1 . 1 138 138 TYR HA H 1 4.860 0.020 . 1 . . . . . 137 TYR HA . 52910 1 1644 . 1 . 1 138 138 TYR HB2 H 1 3.157 0.020 . 2 . . . . . 137 TYR HB2 . 52910 1 1645 . 1 . 1 138 138 TYR HB3 H 1 3.244 0.020 . 2 . . . . . 137 TYR HB3 . 52910 1 1646 . 1 . 1 138 138 TYR HD1 H 1 6.807 0.020 . 1 . . . . . 137 TYR HD1 . 52910 1 1647 . 1 . 1 138 138 TYR HD2 H 1 6.807 0.020 . 1 . . . . . 137 TYR HD2 . 52910 1 1648 . 1 . 1 138 138 TYR HE1 H 1 6.587 0.020 . 1 . . . . . 137 TYR HE1 . 52910 1 1649 . 1 . 1 138 138 TYR HE2 H 1 6.587 0.020 . 1 . . . . . 137 TYR HE2 . 52910 1 1650 . 1 . 1 138 138 TYR C C 13 176.346 0.400 . 1 . . . . . 137 TYR C . 52910 1 1651 . 1 . 1 138 138 TYR CA C 13 54.891 0.400 . 1 . . . . . 137 TYR CA . 52910 1 1652 . 1 . 1 138 138 TYR CB C 13 38.682 0.400 . 1 . . . . . 137 TYR CB . 52910 1 1653 . 1 . 1 138 138 TYR CD1 C 13 130.235 0.400 . 3 . . . . . 137 TYR CD1 . 52910 1 1654 . 1 . 1 138 138 TYR CE1 C 13 117.977 0.400 . 3 . . . . . 137 TYR CE1 . 52910 1 1655 . 1 . 1 138 138 TYR N N 15 119.772 0.400 . 1 . . . . . 137 TYR N . 52910 1 1656 . 1 . 1 139 139 GLY H H 1 8.315 0.020 . 1 . . . . . 138 GLY H . 52910 1 1657 . 1 . 1 139 139 GLY HA2 H 1 4.171 0.020 . 2 . . . . . 138 GLY HA2 . 52910 1 1658 . 1 . 1 139 139 GLY HA3 H 1 3.999 0.020 . 2 . . . . . 138 GLY HA3 . 52910 1 1659 . 1 . 1 139 139 GLY C C 13 175.158 0.400 . 1 . . . . . 138 GLY C . 52910 1 1660 . 1 . 1 139 139 GLY CA C 13 46.456 0.400 . 1 . . . . . 138 GLY CA . 52910 1 1661 . 1 . 1 139 139 GLY N N 15 110.714 0.400 . 1 . . . . . 138 GLY N . 52910 1 1662 . 1 . 1 140 140 ILE H H 1 8.038 0.020 . 1 . . . . . 139 ILE H . 52910 1 1663 . 1 . 1 140 140 ILE HA H 1 5.249 0.020 . 1 . . . . . 139 ILE HA . 52910 1 1664 . 1 . 1 140 140 ILE HB H 1 2.420 0.020 . 1 . . . . . 139 ILE HB . 52910 1 1665 . 1 . 1 140 140 ILE HG12 H 1 1.379 0.020 . 2 . . . . . 139 ILE HG12 . 52910 1 1666 . 1 . 1 140 140 ILE HG13 H 1 1.686 0.020 . 2 . . . . . 139 ILE HG13 . 52910 1 1667 . 1 . 1 140 140 ILE HG21 H 1 0.973 0.020 . 1 . . . . . 139 ILE HG21 . 52910 1 1668 . 1 . 1 140 140 ILE HG22 H 1 0.973 0.020 . 1 . . . . . 139 ILE HG22 . 52910 1 1669 . 1 . 1 140 140 ILE HG23 H 1 0.973 0.020 . 1 . . . . . 139 ILE HG23 . 52910 1 1670 . 1 . 1 140 140 ILE HD11 H 1 0.886 0.020 . 1 . . . . . 139 ILE HD11 . 52910 1 1671 . 1 . 1 140 140 ILE HD12 H 1 0.886 0.020 . 1 . . . . . 139 ILE HD12 . 52910 1 1672 . 1 . 1 140 140 ILE HD13 H 1 0.886 0.020 . 1 . . . . . 139 ILE HD13 . 52910 1 1673 . 1 . 1 140 140 ILE C C 13 172.925 0.400 . 1 . . . . . 139 ILE C . 52910 1 1674 . 1 . 1 140 140 ILE CA C 13 58.447 0.400 . 1 . . . . . 139 ILE CA . 52910 1 1675 . 1 . 1 140 140 ILE CB C 13 38.623 0.400 . 1 . . . . . 139 ILE CB . 52910 1 1676 . 1 . 1 140 140 ILE CG1 C 13 23.758 0.400 . 1 . . . . . 139 ILE CG1 . 52910 1 1677 . 1 . 1 140 140 ILE CG2 C 13 18.013 0.400 . 1 . . . . . 139 ILE CG2 . 52910 1 1678 . 1 . 1 140 140 ILE CD1 C 13 15.453 0.400 . 1 . . . . . 139 ILE CD1 . 52910 1 1679 . 1 . 1 140 140 ILE N N 15 112.921 0.400 . 1 . . . . . 139 ILE N . 52910 1 1680 . 1 . 1 141 141 PRO HA H 1 4.629 0.020 . 1 . . . . . 140 PRO HA . 52910 1 1681 . 1 . 1 141 141 PRO HB2 H 1 1.677 0.020 . 2 . . . . . 140 PRO HB2 . 52910 1 1682 . 1 . 1 141 141 PRO HB3 H 1 2.530 0.020 . 2 . . . . . 140 PRO HB3 . 52910 1 1683 . 1 . 1 141 141 PRO HG2 H 1 1.976 0.020 . 2 . . . . . 140 PRO HG2 . 52910 1 1684 . 1 . 1 141 141 PRO HG3 H 1 1.804 0.020 . 2 . . . . . 140 PRO HG3 . 52910 1 1685 . 1 . 1 141 141 PRO HD2 H 1 4.025 0.020 . 2 . . . . . 140 PRO HD2 . 52910 1 1686 . 1 . 1 141 141 PRO C C 13 174.698 0.400 . 1 . . . . . 140 PRO C . 52910 1 1687 . 1 . 1 141 141 PRO CA C 13 62.523 0.400 . 1 . . . . . 140 PRO CA . 52910 1 1688 . 1 . 1 141 141 PRO CB C 13 33.097 0.400 . 1 . . . . . 140 PRO CB . 52910 1 1689 . 1 . 1 141 141 PRO CG C 13 28.196 0.400 . 1 . . . . . 140 PRO CG . 52910 1 1690 . 1 . 1 141 141 PRO CD C 13 51.009 0.400 . 1 . . . . . 140 PRO CD . 52910 1 1691 . 1 . 1 142 142 PHE H H 1 8.267 0.020 . 1 . . . . . 141 PHE H . 52910 1 1692 . 1 . 1 142 142 PHE HA H 1 6.070 0.020 . 1 . . . . . 141 PHE HA . 52910 1 1693 . 1 . 1 142 142 PHE HB2 H 1 2.672 0.020 . 2 . . . . . 141 PHE HB2 . 52910 1 1694 . 1 . 1 142 142 PHE HB3 H 1 3.031 0.020 . 2 . . . . . 141 PHE HB3 . 52910 1 1695 . 1 . 1 142 142 PHE HD1 H 1 6.825 0.020 . 1 . . . . . 141 PHE HD1 . 52910 1 1696 . 1 . 1 142 142 PHE HD2 H 1 6.825 0.020 . 1 . . . . . 141 PHE HD2 . 52910 1 1697 . 1 . 1 142 142 PHE HE1 H 1 7.167 0.020 . 1 . . . . . 141 PHE HE1 . 52910 1 1698 . 1 . 1 142 142 PHE HE2 H 1 7.167 0.020 . 1 . . . . . 141 PHE HE2 . 52910 1 1699 . 1 . 1 142 142 PHE HZ H 1 7.248 0.020 . 1 . . . . . 141 PHE HZ . 52910 1 1700 . 1 . 1 142 142 PHE C C 13 173.754 0.400 . 1 . . . . . 141 PHE C . 52910 1 1701 . 1 . 1 142 142 PHE CA C 13 54.593 0.400 . 1 . . . . . 141 PHE CA . 52910 1 1702 . 1 . 1 142 142 PHE CB C 13 42.167 0.400 . 1 . . . . . 141 PHE CB . 52910 1 1703 . 1 . 1 142 142 PHE CD2 C 13 131.421 0.400 . 3 . . . . . 141 PHE CD2 . 52910 1 1704 . 1 . 1 142 142 PHE CE2 C 13 130.928 0.400 . 3 . . . . . 141 PHE CE2 . 52910 1 1705 . 1 . 1 142 142 PHE CZ C 13 129.546 0.400 . 1 . . . . . 141 PHE CZ . 52910 1 1706 . 1 . 1 142 142 PHE N N 15 120.277 0.400 . 1 . . . . . 141 PHE N . 52910 1 1707 . 1 . 1 143 143 ILE H H 1 8.461 0.020 . 1 . . . . . 142 ILE H . 52910 1 1708 . 1 . 1 143 143 ILE HA H 1 3.886 0.020 . 1 . . . . . 142 ILE HA . 52910 1 1709 . 1 . 1 143 143 ILE HB H 1 1.315 0.020 . 1 . . . . . 142 ILE HB . 52910 1 1710 . 1 . 1 143 143 ILE HG12 H 1 1.049 0.020 . 2 . . . . . 142 ILE HG12 . 52910 1 1711 . 1 . 1 143 143 ILE HG13 H 1 1.202 0.020 . 2 . . . . . 142 ILE HG13 . 52910 1 1712 . 1 . 1 143 143 ILE HG21 H 1 0.672 0.020 . 1 . . . . . 142 ILE HG21 . 52910 1 1713 . 1 . 1 143 143 ILE HG22 H 1 0.672 0.020 . 1 . . . . . 142 ILE HG22 . 52910 1 1714 . 1 . 1 143 143 ILE HG23 H 1 0.672 0.020 . 1 . . . . . 142 ILE HG23 . 52910 1 1715 . 1 . 1 143 143 ILE HD11 H 1 0.689 0.020 . 1 . . . . . 142 ILE HD11 . 52910 1 1716 . 1 . 1 143 143 ILE HD12 H 1 0.689 0.020 . 1 . . . . . 142 ILE HD12 . 52910 1 1717 . 1 . 1 143 143 ILE HD13 H 1 0.689 0.020 . 1 . . . . . 142 ILE HD13 . 52910 1 1718 . 1 . 1 143 143 ILE C C 13 173.123 0.400 . 1 . . . . . 142 ILE C . 52910 1 1719 . 1 . 1 143 143 ILE CA C 13 59.361 0.400 . 1 . . . . . 142 ILE CA . 52910 1 1720 . 1 . 1 143 143 ILE CB C 13 42.329 0.400 . 1 . . . . . 142 ILE CB . 52910 1 1721 . 1 . 1 143 143 ILE CG1 C 13 28.369 0.400 . 1 . . . . . 142 ILE CG1 . 52910 1 1722 . 1 . 1 143 143 ILE CG2 C 13 17.410 0.400 . 1 . . . . . 142 ILE CG2 . 52910 1 1723 . 1 . 1 143 143 ILE CD1 C 13 13.617 0.400 . 1 . . . . . 142 ILE CD1 . 52910 1 1724 . 1 . 1 143 143 ILE N N 15 129.947 0.400 . 1 . . . . . 142 ILE N . 52910 1 1725 . 1 . 1 144 144 GLU H H 1 7.831 0.020 . 1 . . . . . 143 GLU H . 52910 1 1726 . 1 . 1 144 144 GLU HA H 1 4.626 0.020 . 1 . . . . . 143 GLU HA . 52910 1 1727 . 1 . 1 144 144 GLU HB2 H 1 1.671 0.020 . 2 . . . . . 143 GLU HB2 . 52910 1 1728 . 1 . 1 144 144 GLU HB3 H 1 2.157 0.020 . 2 . . . . . 143 GLU HB3 . 52910 1 1729 . 1 . 1 144 144 GLU HG2 H 1 2.037 0.020 . 2 . . . . . 143 GLU HG2 . 52910 1 1730 . 1 . 1 144 144 GLU HG3 H 1 2.154 0.020 . 2 . . . . . 143 GLU HG3 . 52910 1 1731 . 1 . 1 144 144 GLU C C 13 176.317 0.400 . 1 . . . . . 143 GLU C . 52910 1 1732 . 1 . 1 144 144 GLU CA C 13 55.511 0.400 . 1 . . . . . 143 GLU CA . 52910 1 1733 . 1 . 1 144 144 GLU CB C 13 30.867 0.400 . 1 . . . . . 143 GLU CB . 52910 1 1734 . 1 . 1 144 144 GLU CG C 13 38.913 0.400 . 1 . . . . . 143 GLU CG . 52910 1 1735 . 1 . 1 144 144 GLU N N 15 125.458 0.400 . 1 . . . . . 143 GLU N . 52910 1 1736 . 1 . 1 145 145 THR H H 1 8.829 0.020 . 1 . . . . . 144 THR H . 52910 1 1737 . 1 . 1 145 145 THR HA H 1 5.027 0.020 . 1 . . . . . 144 THR HA . 52910 1 1738 . 1 . 1 145 145 THR HB H 1 3.946 0.020 . 1 . . . . . 144 THR HB . 52910 1 1739 . 1 . 1 145 145 THR HG21 H 1 0.674 0.020 . 1 . . . . . 144 THR HG21 . 52910 1 1740 . 1 . 1 145 145 THR HG22 H 1 0.674 0.020 . 1 . . . . . 144 THR HG22 . 52910 1 1741 . 1 . 1 145 145 THR HG23 H 1 0.674 0.020 . 1 . . . . . 144 THR HG23 . 52910 1 1742 . 1 . 1 145 145 THR C C 13 176.185 0.400 . 1 . . . . . 144 THR C . 52910 1 1743 . 1 . 1 145 145 THR CA C 13 59.786 0.400 . 1 . . . . . 144 THR CA . 52910 1 1744 . 1 . 1 145 145 THR CB C 13 73.823 0.400 . 1 . . . . . 144 THR CB . 52910 1 1745 . 1 . 1 145 145 THR CG2 C 13 22.143 0.400 . 1 . . . . . 144 THR CG2 . 52910 1 1746 . 1 . 1 145 145 THR N N 15 112.622 0.400 . 1 . . . . . 144 THR N . 52910 1 1747 . 1 . 1 146 146 SER H H 1 8.693 0.020 . 1 . . . . . 145 SER H . 52910 1 1748 . 1 . 1 146 146 SER HA H 1 4.858 0.020 . 1 . . . . . 145 SER HA . 52910 1 1749 . 1 . 1 146 146 SER HB2 H 1 3.935 0.020 . 2 . . . . . 145 SER HB2 . 52910 1 1750 . 1 . 1 146 146 SER HB3 H 1 4.040 0.020 . 2 . . . . . 145 SER HB3 . 52910 1 1751 . 1 . 1 146 146 SER C C 13 175.717 0.400 . 1 . . . . . 145 SER C . 52910 1 1752 . 1 . 1 146 146 SER CA C 13 57.576 0.400 . 1 . . . . . 145 SER CA . 52910 1 1753 . 1 . 1 146 146 SER CB C 13 64.740 0.400 . 1 . . . . . 145 SER CB . 52910 1 1754 . 1 . 1 146 146 SER N N 15 112.168 0.400 . 1 . . . . . 145 SER N . 52910 1 1755 . 1 . 1 147 147 ALA H H 1 9.168 0.020 . 1 . . . . . 146 ALA H . 52910 1 1756 . 1 . 1 147 147 ALA HA H 1 3.880 0.020 . 1 . . . . . 146 ALA HA . 52910 1 1757 . 1 . 1 147 147 ALA HB1 H 1 1.546 0.020 . 1 . . . . . 146 ALA HB1 . 52910 1 1758 . 1 . 1 147 147 ALA HB2 H 1 1.546 0.020 . 1 . . . . . 146 ALA HB2 . 52910 1 1759 . 1 . 1 147 147 ALA HB3 H 1 1.546 0.020 . 1 . . . . . 146 ALA HB3 . 52910 1 1760 . 1 . 1 147 147 ALA C C 13 175.656 0.400 . 1 . . . . . 146 ALA C . 52910 1 1761 . 1 . 1 147 147 ALA CA C 13 54.497 0.400 . 1 . . . . . 146 ALA CA . 52910 1 1762 . 1 . 1 147 147 ALA CB C 13 18.633 0.400 . 1 . . . . . 146 ALA CB . 52910 1 1763 . 1 . 1 147 147 ALA N N 15 132.173 0.400 . 1 . . . . . 146 ALA N . 52910 1 1764 . 1 . 1 148 148 LYS H H 1 7.022 0.020 . 1 . . . . . 147 LYS H . 52910 1 1765 . 1 . 1 148 148 LYS HA H 1 2.358 0.020 . 1 . . . . . 147 LYS HA . 52910 1 1766 . 1 . 1 148 148 LYS HB2 H 1 0.311 0.020 . 2 . . . . . 147 LYS HB2 . 52910 1 1767 . 1 . 1 148 148 LYS HB3 H 1 0.995 0.020 . 2 . . . . . 147 LYS HB3 . 52910 1 1768 . 1 . 1 148 148 LYS HG2 H 1 0.282 0.020 . 2 . . . . . 147 LYS HG2 . 52910 1 1769 . 1 . 1 148 148 LYS HG3 H 1 0.645 0.020 . 2 . . . . . 147 LYS HG3 . 52910 1 1770 . 1 . 1 148 148 LYS HD2 H 1 1.183 0.020 . 2 . . . . . 147 LYS HD2 . 52910 1 1771 . 1 . 1 148 148 LYS HD3 H 1 1.328 0.020 . 2 . . . . . 147 LYS HD3 . 52910 1 1772 . 1 . 1 148 148 LYS HE2 H 1 2.725 0.020 . 2 . . . . . 147 LYS HE2 . 52910 1 1773 . 1 . 1 148 148 LYS HE3 H 1 2.778 0.020 . 2 . . . . . 147 LYS HE3 . 52910 1 1774 . 1 . 1 148 148 LYS C C 13 176.958 0.400 . 1 . . . . . 147 LYS C . 52910 1 1775 . 1 . 1 148 148 LYS CA C 13 58.431 0.400 . 1 . . . . . 147 LYS CA . 52910 1 1776 . 1 . 1 148 148 LYS CB C 13 33.797 0.400 . 1 . . . . . 147 LYS CB . 52910 1 1777 . 1 . 1 148 148 LYS CG C 13 24.711 0.400 . 1 . . . . . 147 LYS CG . 52910 1 1778 . 1 . 1 148 148 LYS CD C 13 29.739 0.400 . 1 . . . . . 147 LYS CD . 52910 1 1779 . 1 . 1 148 148 LYS CE C 13 42.139 0.400 . 1 . . . . . 147 LYS CE . 52910 1 1780 . 1 . 1 148 148 LYS N N 15 116.364 0.400 . 1 . . . . . 147 LYS N . 52910 1 1781 . 1 . 1 149 149 THR H H 1 7.589 0.020 . 1 . . . . . 148 THR H . 52910 1 1782 . 1 . 1 149 149 THR HA H 1 4.110 0.020 . 1 . . . . . 148 THR HA . 52910 1 1783 . 1 . 1 149 149 THR HB H 1 4.409 0.020 . 1 . . . . . 148 THR HB . 52910 1 1784 . 1 . 1 149 149 THR HG21 H 1 1.027 0.020 . 1 . . . . . 148 THR HG21 . 52910 1 1785 . 1 . 1 149 149 THR HG22 H 1 1.027 0.020 . 1 . . . . . 148 THR HG22 . 52910 1 1786 . 1 . 1 149 149 THR HG23 H 1 1.027 0.020 . 1 . . . . . 148 THR HG23 . 52910 1 1787 . 1 . 1 149 149 THR C C 13 175.861 0.400 . 1 . . . . . 148 THR C . 52910 1 1788 . 1 . 1 149 149 THR CA C 13 61.366 0.400 . 1 . . . . . 148 THR CA . 52910 1 1789 . 1 . 1 149 149 THR CB C 13 69.640 0.400 . 1 . . . . . 148 THR CB . 52910 1 1790 . 1 . 1 149 149 THR CG2 C 13 21.222 0.400 . 1 . . . . . 148 THR CG2 . 52910 1 1791 . 1 . 1 149 149 THR N N 15 105.967 0.400 . 1 . . . . . 148 THR N . 52910 1 1792 . 1 . 1 150 150 ARG H H 1 7.710 0.020 . 1 . . . . . 149 ARG H . 52910 1 1793 . 1 . 1 150 150 ARG HA H 1 3.449 0.020 . 1 . . . . . 149 ARG HA . 52910 1 1794 . 1 . 1 150 150 ARG HB2 H 1 1.748 0.020 . 2 . . . . . 149 ARG HB2 . 52910 1 1795 . 1 . 1 150 150 ARG HB3 H 1 2.245 0.020 . 2 . . . . . 149 ARG HB3 . 52910 1 1796 . 1 . 1 150 150 ARG HG2 H 1 1.158 0.020 . 2 . . . . . 149 ARG HG2 . 52910 1 1797 . 1 . 1 150 150 ARG HG3 H 1 1.755 0.020 . 2 . . . . . 149 ARG HG3 . 52910 1 1798 . 1 . 1 150 150 ARG HD2 H 1 3.130 0.020 . 2 . . . . . 149 ARG HD2 . 52910 1 1799 . 1 . 1 150 150 ARG HE H 1 6.734 0.020 . 1 . . . . . 149 ARG HE . 52910 1 1800 . 1 . 1 150 150 ARG C C 13 175.443 0.400 . 1 . . . . . 149 ARG C . 52910 1 1801 . 1 . 1 150 150 ARG CA C 13 59.447 0.400 . 1 . . . . . 149 ARG CA . 52910 1 1802 . 1 . 1 150 150 ARG CB C 13 30.366 0.400 . 1 . . . . . 149 ARG CB . 52910 1 1803 . 1 . 1 150 150 ARG CG C 13 32.468 0.400 . 1 . . . . . 149 ARG CG . 52910 1 1804 . 1 . 1 150 150 ARG CD C 13 43.395 0.400 . 1 . . . . . 149 ARG CD . 52910 1 1805 . 1 . 1 150 150 ARG N N 15 118.464 0.400 . 1 . . . . . 149 ARG N . 52910 1 1806 . 1 . 1 150 150 ARG NE N 15 84.194 0.400 . 1 . . . . . 149 ARG NE . 52910 1 1807 . 1 . 1 151 151 GLN H H 1 7.838 0.020 . 1 . . . . . 150 GLN H . 52910 1 1808 . 1 . 1 151 151 GLN HA H 1 4.093 0.020 . 1 . . . . . 150 GLN HA . 52910 1 1809 . 1 . 1 151 151 GLN HB2 H 1 1.620 0.020 . 2 . . . . . 150 GLN HB2 . 52910 1 1810 . 1 . 1 151 151 GLN HB3 H 1 1.979 0.020 . 2 . . . . . 150 GLN HB3 . 52910 1 1811 . 1 . 1 151 151 GLN HG2 H 1 2.086 0.020 . 2 . . . . . 150 GLN HG2 . 52910 1 1812 . 1 . 1 151 151 GLN HG3 H 1 2.306 0.020 . 2 . . . . . 150 GLN HG3 . 52910 1 1813 . 1 . 1 151 151 GLN HE21 H 1 7.258 0.020 . 2 . . . . . 150 GLN HE21 . 52910 1 1814 . 1 . 1 151 151 GLN HE22 H 1 6.870 0.020 . 2 . . . . . 150 GLN HE22 . 52910 1 1815 . 1 . 1 151 151 GLN C C 13 177.095 0.400 . 1 . . . . . 150 GLN C . 52910 1 1816 . 1 . 1 151 151 GLN CA C 13 57.245 0.400 . 1 . . . . . 150 GLN CA . 52910 1 1817 . 1 . 1 151 151 GLN CB C 13 28.756 0.400 . 1 . . . . . 150 GLN CB . 52910 1 1818 . 1 . 1 151 151 GLN CG C 13 32.853 0.400 . 1 . . . . . 150 GLN CG . 52910 1 1819 . 1 . 1 151 151 GLN N N 15 124.207 0.400 . 1 . . . . . 150 GLN N . 52910 1 1820 . 1 . 1 151 151 GLN NE2 N 15 112.187 0.400 . 1 . . . . . 150 GLN NE2 . 52910 1 1821 . 1 . 1 152 152 GLY H H 1 8.940 0.020 . 1 . . . . . 151 GLY H . 52910 1 1822 . 1 . 1 152 152 GLY HA2 H 1 4.056 0.020 . 2 . . . . . 151 GLY HA2 . 52910 1 1823 . 1 . 1 152 152 GLY HA3 H 1 3.819 0.020 . 2 . . . . . 151 GLY HA3 . 52910 1 1824 . 1 . 1 152 152 GLY C C 13 173.556 0.400 . 1 . . . . . 151 GLY C . 52910 1 1825 . 1 . 1 152 152 GLY CA C 13 46.959 0.400 . 1 . . . . . 151 GLY CA . 52910 1 1826 . 1 . 1 152 152 GLY N N 15 115.332 0.400 . 1 . . . . . 151 GLY N . 52910 1 1827 . 1 . 1 153 153 VAL H H 1 7.063 0.020 . 1 . . . . . 152 VAL H . 52910 1 1828 . 1 . 1 153 153 VAL HA H 1 3.212 0.020 . 1 . . . . . 152 VAL HA . 52910 1 1829 . 1 . 1 153 153 VAL HB H 1 1.817 0.020 . 1 . . . . . 152 VAL HB . 52910 1 1830 . 1 . 1 153 153 VAL HG11 H 1 0.784 0.020 . 2 . . . . . 152 VAL HG11 . 52910 1 1831 . 1 . 1 153 153 VAL HG12 H 1 0.784 0.020 . 2 . . . . . 152 VAL HG12 . 52910 1 1832 . 1 . 1 153 153 VAL HG13 H 1 0.784 0.020 . 2 . . . . . 152 VAL HG13 . 52910 1 1833 . 1 . 1 153 153 VAL HG21 H 1 0.921 0.020 . 2 . . . . . 152 VAL HG21 . 52910 1 1834 . 1 . 1 153 153 VAL HG22 H 1 0.921 0.020 . 2 . . . . . 152 VAL HG22 . 52910 1 1835 . 1 . 1 153 153 VAL HG23 H 1 0.921 0.020 . 2 . . . . . 152 VAL HG23 . 52910 1 1836 . 1 . 1 153 153 VAL C C 13 176.951 0.400 . 1 . . . . . 152 VAL C . 52910 1 1837 . 1 . 1 153 153 VAL CA C 13 68.307 0.400 . 1 . . . . . 152 VAL CA . 52910 1 1838 . 1 . 1 153 153 VAL CB C 13 31.626 0.400 . 1 . . . . . 152 VAL CB . 52910 1 1839 . 1 . 1 153 153 VAL CG1 C 13 24.115 0.400 . 2 . . . . . 152 VAL CG1 . 52910 1 1840 . 1 . 1 153 153 VAL CG2 C 13 21.122 0.400 . 2 . . . . . 152 VAL CG2 . 52910 1 1841 . 1 . 1 153 153 VAL N N 15 120.297 0.400 . 1 . . . . . 152 VAL N . 52910 1 1842 . 1 . 1 154 154 GLU H H 1 8.197 0.020 . 1 . . . . . 153 GLU H . 52910 1 1843 . 1 . 1 154 154 GLU HA H 1 3.262 0.020 . 1 . . . . . 153 GLU HA . 52910 1 1844 . 1 . 1 154 154 GLU HB2 H 1 1.393 0.020 . 2 . . . . . 153 GLU HB2 . 52910 1 1845 . 1 . 1 154 154 GLU HB3 H 1 1.648 0.020 . 2 . . . . . 153 GLU HB3 . 52910 1 1846 . 1 . 1 154 154 GLU HG2 H 1 1.901 0.020 . 2 . . . . . 153 GLU HG2 . 52910 1 1847 . 1 . 1 154 154 GLU HG3 H 1 1.772 0.020 . 2 . . . . . 153 GLU HG3 . 52910 1 1848 . 1 . 1 154 154 GLU C C 13 177.265 0.400 . 1 . . . . . 153 GLU C . 52910 1 1849 . 1 . 1 154 154 GLU CA C 13 60.471 0.400 . 1 . . . . . 153 GLU CA . 52910 1 1850 . 1 . 1 154 154 GLU CB C 13 28.729 0.400 . 1 . . . . . 153 GLU CB . 52910 1 1851 . 1 . 1 154 154 GLU CG C 13 37.672 0.400 . 1 . . . . . 153 GLU CG . 52910 1 1852 . 1 . 1 154 154 GLU N N 15 116.867 0.400 . 1 . . . . . 153 GLU N . 52910 1 1853 . 1 . 1 155 155 ASP H H 1 8.174 0.020 . 1 . . . . . 154 ASP H . 52910 1 1854 . 1 . 1 155 155 ASP HA H 1 4.190 0.020 . 1 . . . . . 154 ASP HA . 52910 1 1855 . 1 . 1 155 155 ASP HB2 H 1 2.440 0.020 . 2 . . . . . 154 ASP HB2 . 52910 1 1856 . 1 . 1 155 155 ASP HB3 H 1 2.504 0.020 . 2 . . . . . 154 ASP HB3 . 52910 1 1857 . 1 . 1 155 155 ASP C C 13 179.386 0.400 . 1 . . . . . 154 ASP C . 52910 1 1858 . 1 . 1 155 155 ASP CA C 13 57.286 0.400 . 1 . . . . . 154 ASP CA . 52910 1 1859 . 1 . 1 155 155 ASP CB C 13 40.088 0.400 . 1 . . . . . 154 ASP CB . 52910 1 1860 . 1 . 1 155 155 ASP N N 15 116.409 0.400 . 1 . . . . . 154 ASP N . 52910 1 1861 . 1 . 1 156 156 ALA H H 1 8.583 0.020 . 1 . . . . . 155 ALA H . 52910 1 1862 . 1 . 1 156 156 ALA HA H 1 3.742 0.020 . 1 . . . . . 155 ALA HA . 52910 1 1863 . 1 . 1 156 156 ALA HB1 H 1 1.126 0.020 . 1 . . . . . 155 ALA HB1 . 52910 1 1864 . 1 . 1 156 156 ALA HB2 H 1 1.126 0.020 . 1 . . . . . 155 ALA HB2 . 52910 1 1865 . 1 . 1 156 156 ALA HB3 H 1 1.126 0.020 . 1 . . . . . 155 ALA HB3 . 52910 1 1866 . 1 . 1 156 156 ALA C C 13 177.729 0.400 . 1 . . . . . 155 ALA C . 52910 1 1867 . 1 . 1 156 156 ALA CA C 13 56.287 0.400 . 1 . . . . . 155 ALA CA . 52910 1 1868 . 1 . 1 156 156 ALA CB C 13 17.492 0.400 . 1 . . . . . 155 ALA CB . 52910 1 1869 . 1 . 1 156 156 ALA N N 15 123.831 0.400 . 1 . . . . . 155 ALA N . 52910 1 1870 . 1 . 1 157 157 PHE H H 1 7.261 0.020 . 1 . . . . . 156 PHE H . 52910 1 1871 . 1 . 1 157 157 PHE HA H 1 3.880 0.020 . 1 . . . . . 156 PHE HA . 52910 1 1872 . 1 . 1 157 157 PHE HB2 H 1 2.625 0.020 . 2 . . . . . 156 PHE HB2 . 52910 1 1873 . 1 . 1 157 157 PHE HB3 H 1 2.759 0.020 . 2 . . . . . 156 PHE HB3 . 52910 1 1874 . 1 . 1 157 157 PHE HD1 H 1 7.314 0.020 . 1 . . . . . 156 PHE HD1 . 52910 1 1875 . 1 . 1 157 157 PHE HD2 H 1 7.314 0.020 . 1 . . . . . 156 PHE HD2 . 52910 1 1876 . 1 . 1 157 157 PHE HE1 H 1 6.919 0.020 . 1 . . . . . 156 PHE HE1 . 52910 1 1877 . 1 . 1 157 157 PHE HE2 H 1 6.919 0.020 . 1 . . . . . 156 PHE HE2 . 52910 1 1878 . 1 . 1 157 157 PHE HZ H 1 7.153 0.020 . 1 . . . . . 156 PHE HZ . 52910 1 1879 . 1 . 1 157 157 PHE C C 13 178.195 0.400 . 1 . . . . . 156 PHE C . 52910 1 1880 . 1 . 1 157 157 PHE CA C 13 63.068 0.400 . 1 . . . . . 156 PHE CA . 52910 1 1881 . 1 . 1 157 157 PHE CB C 13 39.718 0.400 . 1 . . . . . 156 PHE CB . 52910 1 1882 . 1 . 1 157 157 PHE CD1 C 13 132.060 0.400 . 3 . . . . . 156 PHE CD1 . 52910 1 1883 . 1 . 1 157 157 PHE CE1 C 13 131.176 0.400 . 3 . . . . . 156 PHE CE1 . 52910 1 1884 . 1 . 1 157 157 PHE CZ C 13 129.942 0.400 . 1 . . . . . 156 PHE CZ . 52910 1 1885 . 1 . 1 157 157 PHE N N 15 112.596 0.400 . 1 . . . . . 156 PHE N . 52910 1 1886 . 1 . 1 158 158 TYR H H 1 9.561 0.020 . 1 . . . . . 157 TYR H . 52910 1 1887 . 1 . 1 158 158 TYR HA H 1 4.346 0.020 . 1 . . . . . 157 TYR HA . 52910 1 1888 . 1 . 1 158 158 TYR HB2 H 1 2.943 0.020 . 2 . . . . . 157 TYR HB2 . 52910 1 1889 . 1 . 1 158 158 TYR HB3 H 1 3.298 0.020 . 2 . . . . . 157 TYR HB3 . 52910 1 1890 . 1 . 1 158 158 TYR HD1 H 1 6.846 0.020 . 1 . . . . . 157 TYR HD1 . 52910 1 1891 . 1 . 1 158 158 TYR HD2 H 1 6.846 0.020 . 1 . . . . . 157 TYR HD2 . 52910 1 1892 . 1 . 1 158 158 TYR HE1 H 1 6.612 0.020 . 1 . . . . . 157 TYR HE1 . 52910 1 1893 . 1 . 1 158 158 TYR HE2 H 1 6.612 0.020 . 1 . . . . . 157 TYR HE2 . 52910 1 1894 . 1 . 1 158 158 TYR C C 13 179.131 0.400 . 1 . . . . . 157 TYR C . 52910 1 1895 . 1 . 1 158 158 TYR CA C 13 58.341 0.400 . 1 . . . . . 157 TYR CA . 52910 1 1896 . 1 . 1 158 158 TYR CB C 13 34.810 0.400 . 1 . . . . . 157 TYR CB . 52910 1 1897 . 1 . 1 158 158 TYR CD2 C 13 130.890 0.400 . 3 . . . . . 157 TYR CD2 . 52910 1 1898 . 1 . 1 158 158 TYR CE2 C 13 117.581 0.400 . 3 . . . . . 157 TYR CE2 . 52910 1 1899 . 1 . 1 158 158 TYR N N 15 119.075 0.400 . 1 . . . . . 157 TYR N . 52910 1 1900 . 1 . 1 159 159 THR H H 1 8.485 0.020 . 1 . . . . . 158 THR H . 52910 1 1901 . 1 . 1 159 159 THR HA H 1 3.953 0.020 . 1 . . . . . 158 THR HA . 52910 1 1902 . 1 . 1 159 159 THR HB H 1 4.221 0.020 . 1 . . . . . 158 THR HB . 52910 1 1903 . 1 . 1 159 159 THR HG21 H 1 1.198 0.020 . 1 . . . . . 158 THR HG21 . 52910 1 1904 . 1 . 1 159 159 THR HG22 H 1 1.198 0.020 . 1 . . . . . 158 THR HG22 . 52910 1 1905 . 1 . 1 159 159 THR HG23 H 1 1.198 0.020 . 1 . . . . . 158 THR HG23 . 52910 1 1906 . 1 . 1 159 159 THR C C 13 175.805 0.400 . 1 . . . . . 158 THR C . 52910 1 1907 . 1 . 1 159 159 THR CA C 13 67.713 0.400 . 1 . . . . . 158 THR CA . 52910 1 1908 . 1 . 1 159 159 THR CB C 13 67.893 0.400 . 1 . . . . . 158 THR CB . 52910 1 1909 . 1 . 1 159 159 THR CG2 C 13 21.370 0.400 . 1 . . . . . 158 THR CG2 . 52910 1 1910 . 1 . 1 159 159 THR N N 15 117.108 0.400 . 1 . . . . . 158 THR N . 52910 1 1911 . 1 . 1 160 160 LEU H H 1 7.236 0.020 . 1 . . . . . 159 LEU H . 52910 1 1912 . 1 . 1 160 160 LEU HA H 1 3.902 0.020 . 1 . . . . . 159 LEU HA . 52910 1 1913 . 1 . 1 160 160 LEU HB2 H 1 2.150 0.020 . 2 . . . . . 159 LEU HB2 . 52910 1 1914 . 1 . 1 160 160 LEU HB3 H 1 1.220 0.020 . 2 . . . . . 159 LEU HB3 . 52910 1 1915 . 1 . 1 160 160 LEU HG H 1 1.404 0.020 . 1 . . . . . 159 LEU HG . 52910 1 1916 . 1 . 1 160 160 LEU HD11 H 1 0.690 0.020 . 2 . . . . . 159 LEU HD11 . 52910 1 1917 . 1 . 1 160 160 LEU HD12 H 1 0.690 0.020 . 2 . . . . . 159 LEU HD12 . 52910 1 1918 . 1 . 1 160 160 LEU HD13 H 1 0.690 0.020 . 2 . . . . . 159 LEU HD13 . 52910 1 1919 . 1 . 1 160 160 LEU HD21 H 1 0.807 0.020 . 2 . . . . . 159 LEU HD21 . 52910 1 1920 . 1 . 1 160 160 LEU HD22 H 1 0.807 0.020 . 2 . . . . . 159 LEU HD22 . 52910 1 1921 . 1 . 1 160 160 LEU HD23 H 1 0.807 0.020 . 2 . . . . . 159 LEU HD23 . 52910 1 1922 . 1 . 1 160 160 LEU C C 13 177.736 0.400 . 1 . . . . . 159 LEU C . 52910 1 1923 . 1 . 1 160 160 LEU CA C 13 58.082 0.400 . 1 . . . . . 159 LEU CA . 52910 1 1924 . 1 . 1 160 160 LEU CB C 13 40.180 0.400 . 1 . . . . . 159 LEU CB . 52910 1 1925 . 1 . 1 160 160 LEU CG C 13 26.590 0.400 . 1 . . . . . 159 LEU CG . 52910 1 1926 . 1 . 1 160 160 LEU CD1 C 13 27.513 0.400 . 2 . . . . . 159 LEU CD1 . 52910 1 1927 . 1 . 1 160 160 LEU CD2 C 13 21.585 0.400 . 2 . . . . . 159 LEU CD2 . 52910 1 1928 . 1 . 1 160 160 LEU N N 15 121.696 0.400 . 1 . . . . . 159 LEU N . 52910 1 1929 . 1 . 1 161 161 VAL H H 1 7.690 0.020 . 1 . . . . . 160 VAL H . 52910 1 1930 . 1 . 1 161 161 VAL HA H 1 3.011 0.020 . 1 . . . . . 160 VAL HA . 52910 1 1931 . 1 . 1 161 161 VAL HB H 1 2.038 0.020 . 1 . . . . . 160 VAL HB . 52910 1 1932 . 1 . 1 161 161 VAL HG11 H 1 0.718 0.020 . 2 . . . . . 160 VAL HG11 . 52910 1 1933 . 1 . 1 161 161 VAL HG12 H 1 0.718 0.020 . 2 . . . . . 160 VAL HG12 . 52910 1 1934 . 1 . 1 161 161 VAL HG13 H 1 0.718 0.020 . 2 . . . . . 160 VAL HG13 . 52910 1 1935 . 1 . 1 161 161 VAL HG21 H 1 -0.079 0.020 . 2 . . . . . 160 VAL HG21 . 52910 1 1936 . 1 . 1 161 161 VAL HG22 H 1 -0.079 0.020 . 2 . . . . . 160 VAL HG22 . 52910 1 1937 . 1 . 1 161 161 VAL HG23 H 1 -0.079 0.020 . 2 . . . . . 160 VAL HG23 . 52910 1 1938 . 1 . 1 161 161 VAL C C 13 177.184 0.400 . 1 . . . . . 160 VAL C . 52910 1 1939 . 1 . 1 161 161 VAL CA C 13 67.689 0.400 . 1 . . . . . 160 VAL CA . 52910 1 1940 . 1 . 1 161 161 VAL CB C 13 30.752 0.400 . 1 . . . . . 160 VAL CB . 52910 1 1941 . 1 . 1 161 161 VAL CG1 C 13 24.164 0.400 . 2 . . . . . 160 VAL CG1 . 52910 1 1942 . 1 . 1 161 161 VAL CG2 C 13 19.365 0.400 . 2 . . . . . 160 VAL CG2 . 52910 1 1943 . 1 . 1 161 161 VAL N N 15 119.349 0.400 . 1 . . . . . 160 VAL N . 52910 1 1944 . 1 . 1 162 162 ARG H H 1 8.056 0.020 . 1 . . . . . 161 ARG H . 52910 1 1945 . 1 . 1 162 162 ARG HA H 1 3.744 0.020 . 1 . . . . . 161 ARG HA . 52910 1 1946 . 1 . 1 162 162 ARG HB2 H 1 1.920 0.020 . 2 . . . . . 161 ARG HB2 . 52910 1 1947 . 1 . 1 162 162 ARG HB3 H 1 2.008 0.020 . 2 . . . . . 161 ARG HB3 . 52910 1 1948 . 1 . 1 162 162 ARG HG2 H 1 1.508 0.020 . 2 . . . . . 161 ARG HG2 . 52910 1 1949 . 1 . 1 162 162 ARG HG3 H 1 1.807 0.020 . 2 . . . . . 161 ARG HG3 . 52910 1 1950 . 1 . 1 162 162 ARG HD2 H 1 3.138 0.020 . 2 . . . . . 161 ARG HD2 . 52910 1 1951 . 1 . 1 162 162 ARG HE H 1 9.001 0.020 . 1 . . . . . 161 ARG HE . 52910 1 1952 . 1 . 1 162 162 ARG C C 13 179.530 0.400 . 1 . . . . . 161 ARG C . 52910 1 1953 . 1 . 1 162 162 ARG CA C 13 60.905 0.400 . 1 . . . . . 161 ARG CA . 52910 1 1954 . 1 . 1 162 162 ARG CB C 13 29.492 0.400 . 1 . . . . . 161 ARG CB . 52910 1 1955 . 1 . 1 162 162 ARG CG C 13 29.311 0.400 . 1 . . . . . 161 ARG CG . 52910 1 1956 . 1 . 1 162 162 ARG CD C 13 43.673 0.400 . 1 . . . . . 161 ARG CD . 52910 1 1957 . 1 . 1 162 162 ARG N N 15 118.459 0.400 . 1 . . . . . 161 ARG N . 52910 1 1958 . 1 . 1 162 162 ARG NE N 15 89.031 0.400 . 1 . . . . . 161 ARG NE . 52910 1 1959 . 1 . 1 163 163 GLU H H 1 8.307 0.020 . 1 . . . . . 162 GLU H . 52910 1 1960 . 1 . 1 163 163 GLU HA H 1 4.150 0.020 . 1 . . . . . 162 GLU HA . 52910 1 1961 . 1 . 1 163 163 GLU HB2 H 1 2.452 0.020 . 2 . . . . . 162 GLU HB2 . 52910 1 1962 . 1 . 1 163 163 GLU HB3 H 1 2.248 0.020 . 2 . . . . . 162 GLU HB3 . 52910 1 1963 . 1 . 1 163 163 GLU HG2 H 1 2.506 0.020 . 2 . . . . . 162 GLU HG2 . 52910 1 1964 . 1 . 1 163 163 GLU HG3 H 1 2.219 0.020 . 2 . . . . . 162 GLU HG3 . 52910 1 1965 . 1 . 1 163 163 GLU C C 13 179.842 0.400 . 1 . . . . . 162 GLU C . 52910 1 1966 . 1 . 1 163 163 GLU CA C 13 59.121 0.400 . 1 . . . . . 162 GLU CA . 52910 1 1967 . 1 . 1 163 163 GLU CB C 13 30.216 0.400 . 1 . . . . . 162 GLU CB . 52910 1 1968 . 1 . 1 163 163 GLU CG C 13 36.371 0.400 . 1 . . . . . 162 GLU CG . 52910 1 1969 . 1 . 1 163 163 GLU N N 15 119.476 0.400 . 1 . . . . . 162 GLU N . 52910 1 1970 . 1 . 1 164 164 ILE H H 1 8.407 0.020 . 1 . . . . . 163 ILE H . 52910 1 1971 . 1 . 1 164 164 ILE HA H 1 3.730 0.020 . 1 . . . . . 163 ILE HA . 52910 1 1972 . 1 . 1 164 164 ILE HB H 1 2.051 0.020 . 1 . . . . . 163 ILE HB . 52910 1 1973 . 1 . 1 164 164 ILE HG12 H 1 1.894 0.020 . 2 . . . . . 163 ILE HG12 . 52910 1 1974 . 1 . 1 164 164 ILE HG13 H 1 0.812 0.020 . 2 . . . . . 163 ILE HG13 . 52910 1 1975 . 1 . 1 164 164 ILE HG21 H 1 1.143 0.020 . 1 . . . . . 163 ILE HG21 . 52910 1 1976 . 1 . 1 164 164 ILE HG22 H 1 1.143 0.020 . 1 . . . . . 163 ILE HG22 . 52910 1 1977 . 1 . 1 164 164 ILE HG23 H 1 1.143 0.020 . 1 . . . . . 163 ILE HG23 . 52910 1 1978 . 1 . 1 164 164 ILE HD11 H 1 0.719 0.020 . 1 . . . . . 163 ILE HD11 . 52910 1 1979 . 1 . 1 164 164 ILE HD12 H 1 0.719 0.020 . 1 . . . . . 163 ILE HD12 . 52910 1 1980 . 1 . 1 164 164 ILE HD13 H 1 0.719 0.020 . 1 . . . . . 163 ILE HD13 . 52910 1 1981 . 1 . 1 164 164 ILE C C 13 177.835 0.400 . 1 . . . . . 163 ILE C . 52910 1 1982 . 1 . 1 164 164 ILE CA C 13 66.224 0.400 . 1 . . . . . 163 ILE CA . 52910 1 1983 . 1 . 1 164 164 ILE CB C 13 38.109 0.400 . 1 . . . . . 163 ILE CB . 52910 1 1984 . 1 . 1 164 164 ILE CG1 C 13 28.425 0.400 . 1 . . . . . 163 ILE CG1 . 52910 1 1985 . 1 . 1 164 164 ILE CG2 C 13 18.415 0.400 . 1 . . . . . 163 ILE CG2 . 52910 1 1986 . 1 . 1 164 164 ILE CD1 C 13 15.832 0.400 . 1 . . . . . 163 ILE CD1 . 52910 1 1987 . 1 . 1 164 164 ILE N N 15 122.286 0.400 . 1 . . . . . 163 ILE N . 52910 1 1988 . 1 . 1 165 165 ARG H H 1 8.932 0.020 . 1 . . . . . 164 ARG H . 52910 1 1989 . 1 . 1 165 165 ARG HA H 1 4.010 0.020 . 1 . . . . . 164 ARG HA . 52910 1 1990 . 1 . 1 165 165 ARG HB2 H 1 2.013 0.020 . 2 . . . . . 164 ARG HB2 . 52910 1 1991 . 1 . 1 165 165 ARG HB3 H 1 2.126 0.020 . 2 . . . . . 164 ARG HB3 . 52910 1 1992 . 1 . 1 165 165 ARG HG2 H 1 1.743 0.020 . 2 . . . . . 164 ARG HG2 . 52910 1 1993 . 1 . 1 165 165 ARG HG3 H 1 1.909 0.020 . 2 . . . . . 164 ARG HG3 . 52910 1 1994 . 1 . 1 165 165 ARG HD2 H 1 3.161 0.020 . 2 . . . . . 164 ARG HD2 . 52910 1 1995 . 1 . 1 165 165 ARG HE H 1 6.751 0.020 . 1 . . . . . 164 ARG HE . 52910 1 1996 . 1 . 1 165 165 ARG C C 13 179.194 0.400 . 1 . . . . . 164 ARG C . 52910 1 1997 . 1 . 1 165 165 ARG CA C 13 60.374 0.400 . 1 . . . . . 164 ARG CA . 52910 1 1998 . 1 . 1 165 165 ARG CB C 13 30.937 0.400 . 1 . . . . . 164 ARG CB . 52910 1 1999 . 1 . 1 165 165 ARG CG C 13 27.198 0.400 . 1 . . . . . 164 ARG CG . 52910 1 2000 . 1 . 1 165 165 ARG CD C 13 44.550 0.400 . 1 . . . . . 164 ARG CD . 52910 1 2001 . 1 . 1 165 165 ARG N N 15 120.089 0.400 . 1 . . . . . 164 ARG N . 52910 1 2002 . 1 . 1 165 165 ARG NE N 15 84.298 0.400 . 1 . . . . . 164 ARG NE . 52910 1 2003 . 1 . 1 166 166 GLN H H 1 7.903 0.020 . 1 . . . . . 165 GLN H . 52910 1 2004 . 1 . 1 166 166 GLN HA H 1 4.131 0.020 . 1 . . . . . 165 GLN HA . 52910 1 2005 . 1 . 1 166 166 GLN HB2 H 1 2.213 0.020 . 2 . . . . . 165 GLN HB2 . 52910 1 2006 . 1 . 1 166 166 GLN HB3 H 1 2.250 0.020 . 2 . . . . . 165 GLN HB3 . 52910 1 2007 . 1 . 1 166 166 GLN HG2 H 1 2.511 0.020 . 2 . . . . . 165 GLN HG2 . 52910 1 2008 . 1 . 1 166 166 GLN HE21 H 1 6.862 0.020 . 2 . . . . . 165 GLN HE21 . 52910 1 2009 . 1 . 1 166 166 GLN HE22 H 1 7.449 0.020 . 2 . . . . . 165 GLN HE22 . 52910 1 2010 . 1 . 1 166 166 GLN C C 13 178.660 0.400 . 1 . . . . . 165 GLN C . 52910 1 2011 . 1 . 1 166 166 GLN CA C 13 58.536 0.400 . 1 . . . . . 165 GLN CA . 52910 1 2012 . 1 . 1 166 166 GLN CB C 13 28.774 0.400 . 1 . . . . . 165 GLN CB . 52910 1 2013 . 1 . 1 166 166 GLN CG C 13 34.092 0.400 . 1 . . . . . 165 GLN CG . 52910 1 2014 . 1 . 1 166 166 GLN N N 15 116.092 0.400 . 1 . . . . . 165 GLN N . 52910 1 2015 . 1 . 1 166 166 GLN NE2 N 15 112.056 0.400 . 1 . . . . . 165 GLN NE2 . 52910 1 2016 . 1 . 1 167 167 TYR H H 1 8.165 0.020 . 1 . . . . . 166 TYR H . 52910 1 2017 . 1 . 1 167 167 TYR HA H 1 4.273 0.020 . 1 . . . . . 166 TYR HA . 52910 1 2018 . 1 . 1 167 167 TYR HB2 H 1 3.343 0.020 . 2 . . . . . 166 TYR HB2 . 52910 1 2019 . 1 . 1 167 167 TYR HB3 H 1 3.359 0.020 . 2 . . . . . 166 TYR HB3 . 52910 1 2020 . 1 . 1 167 167 TYR HD1 H 1 7.267 0.020 . 1 . . . . . 166 TYR HD1 . 52910 1 2021 . 1 . 1 167 167 TYR HD2 H 1 7.267 0.020 . 1 . . . . . 166 TYR HD2 . 52910 1 2022 . 1 . 1 167 167 TYR HE1 H 1 6.905 0.020 . 1 . . . . . 166 TYR HE1 . 52910 1 2023 . 1 . 1 167 167 TYR HE2 H 1 6.905 0.020 . 1 . . . . . 166 TYR HE2 . 52910 1 2024 . 1 . 1 167 167 TYR C C 13 178.064 0.400 . 1 . . . . . 166 TYR C . 52910 1 2025 . 1 . 1 167 167 TYR CA C 13 61.297 0.400 . 1 . . . . . 166 TYR CA . 52910 1 2026 . 1 . 1 167 167 TYR CB C 13 39.170 0.400 . 1 . . . . . 166 TYR CB . 52910 1 2027 . 1 . 1 167 167 TYR CD2 C 13 133.327 0.400 . 3 . . . . . 166 TYR CD2 . 52910 1 2028 . 1 . 1 167 167 TYR CE2 C 13 118.541 0.400 . 3 . . . . . 166 TYR CE2 . 52910 1 2029 . 1 . 1 167 167 TYR N N 15 122.347 0.400 . 1 . . . . . 166 TYR N . 52910 1 2030 . 1 . 1 168 168 ARG H H 1 8.334 0.020 . 1 . . . . . 167 ARG H . 52910 1 2031 . 1 . 1 168 168 ARG HA H 1 4.149 0.020 . 1 . . . . . 167 ARG HA . 52910 1 2032 . 1 . 1 168 168 ARG HB2 H 1 2.048 0.020 . 2 . . . . . 167 ARG HB2 . 52910 1 2033 . 1 . 1 168 168 ARG HG2 H 1 2.172 0.020 . 2 . . . . . 167 ARG HG2 . 52910 1 2034 . 1 . 1 168 168 ARG HG3 H 1 1.858 0.020 . 2 . . . . . 167 ARG HG3 . 52910 1 2035 . 1 . 1 168 168 ARG HD2 H 1 3.228 0.020 . 2 . . . . . 167 ARG HD2 . 52910 1 2036 . 1 . 1 168 168 ARG HD3 H 1 3.150 0.020 . 2 . . . . . 167 ARG HD3 . 52910 1 2037 . 1 . 1 168 168 ARG HE H 1 7.432 0.020 . 1 . . . . . 167 ARG HE . 52910 1 2038 . 1 . 1 168 168 ARG C C 13 177.241 0.400 . 1 . . . . . 167 ARG C . 52910 1 2039 . 1 . 1 168 168 ARG CA C 13 58.302 0.400 . 1 . . . . . 167 ARG CA . 52910 1 2040 . 1 . 1 168 168 ARG CB C 13 31.304 0.400 . 1 . . . . . 167 ARG CB . 52910 1 2041 . 1 . 1 168 168 ARG CG C 13 27.679 0.400 . 1 . . . . . 167 ARG CG . 52910 1 2042 . 1 . 1 168 168 ARG CD C 13 44.558 0.400 . 1 . . . . . 167 ARG CD . 52910 1 2043 . 1 . 1 168 168 ARG N N 15 117.346 0.400 . 1 . . . . . 167 ARG N . 52910 1 2044 . 1 . 1 168 168 ARG NE N 15 83.625 0.400 . 1 . . . . . 167 ARG NE . 52910 1 2045 . 1 . 1 169 169 MET H H 1 7.522 0.020 . 1 . . . . . 168 MET H . 52910 1 2046 . 1 . 1 169 169 MET HA H 1 4.491 0.020 . 1 . . . . . 168 MET HA . 52910 1 2047 . 1 . 1 169 169 MET HB2 H 1 2.129 0.020 . 2 . . . . . 168 MET HB2 . 52910 1 2048 . 1 . 1 169 169 MET HB3 H 1 2.264 0.020 . 2 . . . . . 168 MET HB3 . 52910 1 2049 . 1 . 1 169 169 MET HG2 H 1 2.662 0.020 . 2 . . . . . 168 MET HG2 . 52910 1 2050 . 1 . 1 169 169 MET HG3 H 1 2.780 0.020 . 2 . . . . . 168 MET HG3 . 52910 1 2051 . 1 . 1 169 169 MET HE1 H 1 2.128 0.020 . 1 . . . . . 168 MET HE1 . 52910 1 2052 . 1 . 1 169 169 MET HE2 H 1 2.128 0.020 . 1 . . . . . 168 MET HE2 . 52910 1 2053 . 1 . 1 169 169 MET HE3 H 1 2.128 0.020 . 1 . . . . . 168 MET HE3 . 52910 1 2054 . 1 . 1 169 169 MET C C 13 175.518 0.400 . 1 . . . . . 168 MET C . 52910 1 2055 . 1 . 1 169 169 MET CA C 13 55.706 0.400 . 1 . . . . . 168 MET CA . 52910 1 2056 . 1 . 1 169 169 MET CB C 13 32.969 0.400 . 1 . . . . . 168 MET CB . 52910 1 2057 . 1 . 1 169 169 MET CG C 13 32.050 0.400 . 1 . . . . . 168 MET CG . 52910 1 2058 . 1 . 1 169 169 MET CE C 13 16.858 0.400 . 1 . . . . . 168 MET CE . 52910 1 2059 . 1 . 1 169 169 MET N N 15 117.175 0.400 . 1 . . . . . 168 MET N . 52910 1 2060 . 1 . 1 170 170 LYS H H 1 7.393 0.020 . 1 . . . . . 169 LYS H . 52910 1 2061 . 1 . 1 170 170 LYS HA H 1 4.051 0.020 . 1 . . . . . 169 LYS HA . 52910 1 2062 . 1 . 1 170 170 LYS HB2 H 1 1.757 0.020 . 2 . . . . . 169 LYS HB2 . 52910 1 2063 . 1 . 1 170 170 LYS HB3 H 1 1.804 0.020 . 2 . . . . . 169 LYS HB3 . 52910 1 2064 . 1 . 1 170 170 LYS HG2 H 1 1.443 0.020 . 2 . . . . . 169 LYS HG2 . 52910 1 2065 . 1 . 1 170 170 LYS HG3 H 1 1.487 0.020 . 2 . . . . . 169 LYS HG3 . 52910 1 2066 . 1 . 1 170 170 LYS HD2 H 1 1.441 0.020 . 2 . . . . . 169 LYS HD2 . 52910 1 2067 . 1 . 1 170 170 LYS HD3 H 1 1.635 0.020 . 2 . . . . . 169 LYS HD3 . 52910 1 2068 . 1 . 1 170 170 LYS HE2 H 1 2.931 0.020 . 2 . . . . . 169 LYS HE2 . 52910 1 2069 . 1 . 1 170 170 LYS C C 13 181.521 0.400 . 1 . . . . . 169 LYS C . 52910 1 2070 . 1 . 1 170 170 LYS CA C 13 58.701 0.400 . 1 . . . . . 169 LYS CA . 52910 1 2071 . 1 . 1 170 170 LYS CB C 13 33.314 0.400 . 1 . . . . . 169 LYS CB . 52910 1 2072 . 1 . 1 170 170 LYS CG C 13 25.070 0.400 . 1 . . . . . 169 LYS CG . 52910 1 2073 . 1 . 1 170 170 LYS CD C 13 29.535 0.400 . 1 . . . . . 169 LYS CD . 52910 1 2074 . 1 . 1 170 170 LYS CE C 13 42.260 0.400 . 1 . . . . . 169 LYS CE . 52910 1 2075 . 1 . 1 170 170 LYS N N 15 126.335 0.400 . 1 . . . . . 169 LYS N . 52910 1 stop_ save_