data_52073 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52073 _Entry.Title ; Solution NMR Assignments of oncogenic G12D mutant of T35S-C118S KRAS4b-GppNHp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-07 _Entry.Accession_date 2023-08-07 _Entry.Last_release_date 2023-08-07 _Entry.Original_release_date 2023-08-07 _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. . . 52073 2 Marcin Dyba . . . . 52073 3 Brian Smith . . . . 52073 4 Megan Rigby . . . . 52073 5 Marco Tonelli . . . . 52073 6 Anna Maciag . . . . 52073 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . ; NCI RAS Initiative, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Leidos Biomedical Research, Inc. ; . 52073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 753 52073 '15N chemical shifts' 187 52073 '1H chemical shifts' 1198 52073 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 . . 2026-08-14 . original BMRB . 52073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50651 'T35S/Q61L mutant of K-Ras4b(1-169) bound to GppNHp' 52073 BMRB 52072 'oncogenic G12C mutant of T35S-C118S KRAS4b-GppNHp' 52073 BMRB 52074 'T35S mutant of KRAS4b-GppNHp' 52073 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52073 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution Structures of the G12C and G12D oncogenic mutants of state 1 conformation of KRAS-GppNHp show distinct modulation of protein function in the Helix3-Switch2 pocket. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 . K. . . 52073 1 2 Marcin Dyba . . . . 52073 1 3 Brian Smith . . . . 52073 1 4 Megan Rigby . . . . 52073 1 5 Marco Tonelli . . . . 52073 1 6 Anna Maciag . . . . 52073 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GTPase KRAS, T35S, oncogenic mutation, G12D, GppNHp, PI3KCA RBD, Protein complex' 52073 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52073 _Assembly.ID 1 _Assembly.Name 'Protein KRAS G12D in complex with GppNHp and Mg2+' _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 K-Ras' 1 $entity_1 . . yes native no no . . . 52073 1 2 GppNHp 2 $entity_GNP . . no native no no . . . 52073 1 3 'Mg ion' 3 $entity_MG . . no native no no . . . 52073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52073 _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 ; MTEYKLVVVGADGVGKSALT IQLIQNHFVDEYDPSIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKSDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _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 . MET . 52073 1 2 . THR . 52073 1 3 . GLU . 52073 1 4 . TYR . 52073 1 5 . LYS . 52073 1 6 . LEU . 52073 1 7 . VAL . 52073 1 8 . VAL . 52073 1 9 . VAL . 52073 1 10 . GLY . 52073 1 11 . ALA . 52073 1 12 . ASP . 52073 1 13 . GLY . 52073 1 14 . VAL . 52073 1 15 . GLY . 52073 1 16 . LYS . 52073 1 17 . SER . 52073 1 18 . ALA . 52073 1 19 . LEU . 52073 1 20 . THR . 52073 1 21 . ILE . 52073 1 22 . GLN . 52073 1 23 . LEU . 52073 1 24 . ILE . 52073 1 25 . GLN . 52073 1 26 . ASN . 52073 1 27 . HIS . 52073 1 28 . PHE . 52073 1 29 . VAL . 52073 1 30 . ASP . 52073 1 31 . GLU . 52073 1 32 . TYR . 52073 1 33 . ASP . 52073 1 34 . PRO . 52073 1 35 . SER . 52073 1 36 . ILE . 52073 1 37 . GLU . 52073 1 38 . ASP . 52073 1 39 . SER . 52073 1 40 . TYR . 52073 1 41 . ARG . 52073 1 42 . LYS . 52073 1 43 . GLN . 52073 1 44 . VAL . 52073 1 45 . VAL . 52073 1 46 . ILE . 52073 1 47 . ASP . 52073 1 48 . GLY . 52073 1 49 . GLU . 52073 1 50 . THR . 52073 1 51 . CYS . 52073 1 52 . LEU . 52073 1 53 . LEU . 52073 1 54 . ASP . 52073 1 55 . ILE . 52073 1 56 . LEU . 52073 1 57 . ASP . 52073 1 58 . THR . 52073 1 59 . ALA . 52073 1 60 . GLY . 52073 1 61 . GLN . 52073 1 62 . GLU . 52073 1 63 . GLU . 52073 1 64 . TYR . 52073 1 65 . SER . 52073 1 66 . ALA . 52073 1 67 . MET . 52073 1 68 . ARG . 52073 1 69 . ASP . 52073 1 70 . GLN . 52073 1 71 . TYR . 52073 1 72 . MET . 52073 1 73 . ARG . 52073 1 74 . THR . 52073 1 75 . GLY . 52073 1 76 . GLU . 52073 1 77 . GLY . 52073 1 78 . PHE . 52073 1 79 . LEU . 52073 1 80 . CYS . 52073 1 81 . VAL . 52073 1 82 . PHE . 52073 1 83 . ALA . 52073 1 84 . ILE . 52073 1 85 . ASN . 52073 1 86 . ASN . 52073 1 87 . THR . 52073 1 88 . LYS . 52073 1 89 . SER . 52073 1 90 . PHE . 52073 1 91 . GLU . 52073 1 92 . ASP . 52073 1 93 . ILE . 52073 1 94 . HIS . 52073 1 95 . HIS . 52073 1 96 . TYR . 52073 1 97 . ARG . 52073 1 98 . GLU . 52073 1 99 . GLN . 52073 1 100 . ILE . 52073 1 101 . LYS . 52073 1 102 . ARG . 52073 1 103 . VAL . 52073 1 104 . LYS . 52073 1 105 . ASP . 52073 1 106 . SER . 52073 1 107 . GLU . 52073 1 108 . ASP . 52073 1 109 . VAL . 52073 1 110 . PRO . 52073 1 111 . MET . 52073 1 112 . VAL . 52073 1 113 . LEU . 52073 1 114 . VAL . 52073 1 115 . GLY . 52073 1 116 . ASN . 52073 1 117 . LYS . 52073 1 118 . SER . 52073 1 119 . ASP . 52073 1 120 . LEU . 52073 1 121 . PRO . 52073 1 122 . SER . 52073 1 123 . ARG . 52073 1 124 . THR . 52073 1 125 . VAL . 52073 1 126 . ASP . 52073 1 127 . THR . 52073 1 128 . LYS . 52073 1 129 . GLN . 52073 1 130 . ALA . 52073 1 131 . GLN . 52073 1 132 . ASP . 52073 1 133 . LEU . 52073 1 134 . ALA . 52073 1 135 . ARG . 52073 1 136 . SER . 52073 1 137 . TYR . 52073 1 138 . GLY . 52073 1 139 . ILE . 52073 1 140 . PRO . 52073 1 141 . PHE . 52073 1 142 . ILE . 52073 1 143 . GLU . 52073 1 144 . THR . 52073 1 145 . SER . 52073 1 146 . ALA . 52073 1 147 . LYS . 52073 1 148 . THR . 52073 1 149 . ARG . 52073 1 150 . GLN . 52073 1 151 . GLY . 52073 1 152 . VAL . 52073 1 153 . ASP . 52073 1 154 . ASP . 52073 1 155 . ALA . 52073 1 156 . PHE . 52073 1 157 . TYR . 52073 1 158 . THR . 52073 1 159 . LEU . 52073 1 160 . VAL . 52073 1 161 . ARG . 52073 1 162 . GLU . 52073 1 163 . ILE . 52073 1 164 . ARG . 52073 1 165 . LYS . 52073 1 166 . HIS . 52073 1 167 . LYS . 52073 1 168 . GLU . 52073 1 169 . LYS . 52073 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52073 1 . THR 2 2 52073 1 . GLU 3 3 52073 1 . TYR 4 4 52073 1 . LYS 5 5 52073 1 . LEU 6 6 52073 1 . VAL 7 7 52073 1 . VAL 8 8 52073 1 . VAL 9 9 52073 1 . GLY 10 10 52073 1 . ALA 11 11 52073 1 . ASP 12 12 52073 1 . GLY 13 13 52073 1 . VAL 14 14 52073 1 . GLY 15 15 52073 1 . LYS 16 16 52073 1 . SER 17 17 52073 1 . ALA 18 18 52073 1 . LEU 19 19 52073 1 . THR 20 20 52073 1 . ILE 21 21 52073 1 . GLN 22 22 52073 1 . LEU 23 23 52073 1 . ILE 24 24 52073 1 . GLN 25 25 52073 1 . ASN 26 26 52073 1 . HIS 27 27 52073 1 . PHE 28 28 52073 1 . VAL 29 29 52073 1 . ASP 30 30 52073 1 . GLU 31 31 52073 1 . TYR 32 32 52073 1 . ASP 33 33 52073 1 . PRO 34 34 52073 1 . SER 35 35 52073 1 . ILE 36 36 52073 1 . GLU 37 37 52073 1 . ASP 38 38 52073 1 . SER 39 39 52073 1 . TYR 40 40 52073 1 . ARG 41 41 52073 1 . LYS 42 42 52073 1 . GLN 43 43 52073 1 . VAL 44 44 52073 1 . VAL 45 45 52073 1 . ILE 46 46 52073 1 . ASP 47 47 52073 1 . GLY 48 48 52073 1 . GLU 49 49 52073 1 . THR 50 50 52073 1 . CYS 51 51 52073 1 . LEU 52 52 52073 1 . LEU 53 53 52073 1 . ASP 54 54 52073 1 . ILE 55 55 52073 1 . LEU 56 56 52073 1 . ASP 57 57 52073 1 . THR 58 58 52073 1 . ALA 59 59 52073 1 . GLY 60 60 52073 1 . GLN 61 61 52073 1 . GLU 62 62 52073 1 . GLU 63 63 52073 1 . TYR 64 64 52073 1 . SER 65 65 52073 1 . ALA 66 66 52073 1 . MET 67 67 52073 1 . ARG 68 68 52073 1 . ASP 69 69 52073 1 . GLN 70 70 52073 1 . TYR 71 71 52073 1 . MET 72 72 52073 1 . ARG 73 73 52073 1 . THR 74 74 52073 1 . GLY 75 75 52073 1 . GLU 76 76 52073 1 . GLY 77 77 52073 1 . PHE 78 78 52073 1 . LEU 79 79 52073 1 . CYS 80 80 52073 1 . VAL 81 81 52073 1 . PHE 82 82 52073 1 . ALA 83 83 52073 1 . ILE 84 84 52073 1 . ASN 85 85 52073 1 . ASN 86 86 52073 1 . THR 87 87 52073 1 . LYS 88 88 52073 1 . SER 89 89 52073 1 . PHE 90 90 52073 1 . GLU 91 91 52073 1 . ASP 92 92 52073 1 . ILE 93 93 52073 1 . HIS 94 94 52073 1 . HIS 95 95 52073 1 . TYR 96 96 52073 1 . ARG 97 97 52073 1 . GLU 98 98 52073 1 . GLN 99 99 52073 1 . ILE 100 100 52073 1 . LYS 101 101 52073 1 . ARG 102 102 52073 1 . VAL 103 103 52073 1 . LYS 104 104 52073 1 . ASP 105 105 52073 1 . SER 106 106 52073 1 . GLU 107 107 52073 1 . ASP 108 108 52073 1 . VAL 109 109 52073 1 . PRO 110 110 52073 1 . MET 111 111 52073 1 . VAL 112 112 52073 1 . LEU 113 113 52073 1 . VAL 114 114 52073 1 . GLY 115 115 52073 1 . ASN 116 116 52073 1 . LYS 117 117 52073 1 . SER 118 118 52073 1 . ASP 119 119 52073 1 . LEU 120 120 52073 1 . PRO 121 121 52073 1 . SER 122 122 52073 1 . ARG 123 123 52073 1 . THR 124 124 52073 1 . VAL 125 125 52073 1 . ASP 126 126 52073 1 . THR 127 127 52073 1 . LYS 128 128 52073 1 . GLN 129 129 52073 1 . ALA 130 130 52073 1 . GLN 131 131 52073 1 . ASP 132 132 52073 1 . LEU 133 133 52073 1 . ALA 134 134 52073 1 . ARG 135 135 52073 1 . SER 136 136 52073 1 . TYR 137 137 52073 1 . GLY 138 138 52073 1 . ILE 139 139 52073 1 . PRO 140 140 52073 1 . PHE 141 141 52073 1 . ILE 142 142 52073 1 . GLU 143 143 52073 1 . THR 144 144 52073 1 . SER 145 145 52073 1 . ALA 146 146 52073 1 . LYS 147 147 52073 1 . THR 148 148 52073 1 . ARG 149 149 52073 1 . GLN 150 150 52073 1 . GLY 151 151 52073 1 . VAL 152 152 52073 1 . ASP 153 153 52073 1 . ASP 154 154 52073 1 . ALA 155 155 52073 1 . PHE 156 156 52073 1 . TYR 157 157 52073 1 . THR 158 158 52073 1 . LEU 159 159 52073 1 . VAL 160 160 52073 1 . ARG 161 161 52073 1 . GLU 162 162 52073 1 . ILE 163 163 52073 1 . ARG 164 164 52073 1 . LYS 165 165 52073 1 . HIS 166 166 52073 1 . LYS 167 167 52073 1 . GLU 168 168 52073 1 . LYS 169 169 52073 1 stop_ save_ save_entity_GNP _Entity.Sf_category entity _Entity.Sf_framecode entity_GNP _Entity.Entry_ID 52073 _Entity.ID 2 _Entity.BMRB_code GNP _Entity.Name entity_GNP _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 GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _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 522.196 _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 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 52073 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 52073 2 GNP 'Three letter code' 52073 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 GNP $chem_comp_GNP 52073 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 52073 _Entity.ID 3 _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 3 _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 52073 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 52073 3 MG 'Three letter code' 52073 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 MG $chem_comp_MG 52073 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 52073 _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 . . . . . . . . . . . . . 52073 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 52073 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDest-566 . . . 52073 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 52073 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GNP _Chem_comp.PDB_code GNP _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 GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all 49 _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/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/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 . _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 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _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 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 52073 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 52073 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 52073 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 52073 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 52073 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 52073 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52073 GNP 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 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 52073 GNP ; [[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52073 GNP 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 . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 52073 GNP O1G O1G O1G O1G . O . . N 0 . . . 1 N N . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 52073 GNP O2G O2G O2G O2G . O . . N 0 . . . 1 N N . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 52073 GNP O3G O3G O3G O3G . O . . N 0 . . . 1 N N . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 52073 GNP N3B N3B N3B N3B . N . . N 0 . . . 1 N N . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 52073 GNP PB PB PB PB . P . . R 0 . . . 1 N N . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 52073 GNP O1B O1B O1B O1B . O . . N 0 . . . 1 N N . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 52073 GNP O2B O2B O2B O2B . O . . N 0 . . . 1 N N . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 52073 GNP O3A O3A O3A O3A . O . . N 0 . . . 1 N N . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 52073 GNP PA PA PA PA . P . . S 0 . . . 1 N N . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 52073 GNP O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 52073 GNP O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 52073 GNP O5' O5' O5' O5* . O . . N 0 . . . 1 N N . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 52073 GNP C5' C5' C5' C5* . C . . N 0 . . . 1 N N . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 52073 GNP C4' C4' C4' C4* . C . . R 0 . . . 1 N N . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 52073 GNP O4' O4' O4' O4* . O . . N 0 . . . 1 N N . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 52073 GNP C3' C3' C3' C3* . C . . S 0 . . . 1 N N . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 52073 GNP O3' O3' O3' O3* . O . . N 0 . . . 1 N N . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 52073 GNP C2' C2' C2' C2* . C . . R 0 . . . 1 N N . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 52073 GNP O2' O2' O2' O2* . O . . N 0 . . . 1 N N . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 52073 GNP C1' C1' C1' C1* . C . . R 0 . . . 1 N N . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 52073 GNP N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 52073 GNP C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 52073 GNP N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 52073 GNP C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 52073 GNP C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 52073 GNP O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 52073 GNP N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 52073 GNP C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 52073 GNP N2 N2 N2 N2 . N . . N 0 . . . 1 N N . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 52073 GNP N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 52073 GNP C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 52073 GNP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 N N . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 52073 GNP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 N N . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 52073 GNP HNB3 HNB3 HNB3 3HNB . H . . N 0 . . . 0 N N . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 52073 GNP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 N N . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 52073 GNP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 N N . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 52073 GNP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 N N . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 52073 GNP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 N N . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 52073 GNP H4' H4' H4' H4* . H . . N 0 . . . 1 N N . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 52073 GNP H3' H3' H3' H3* . H . . N 0 . . . 1 N N . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 52073 GNP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 N N . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 52073 GNP H2' H2' H2' H2* . H . . N 0 . . . 1 N N . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 52073 GNP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 N N . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 52073 GNP H1' H1' H1' H1* . H . . N 0 . . . 1 N N . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 52073 GNP H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 52073 GNP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 N N . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 52073 GNP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 N N . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 52073 GNP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 N N . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 52073 GNP 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 . 52073 GNP 2 . SING PG O2G N N 2 . 52073 GNP 3 . SING PG O3G N N 3 . 52073 GNP 4 . SING PG N3B N N 4 . 52073 GNP 5 . SING O2G HOG2 N N 5 . 52073 GNP 6 . SING O3G HOG3 N N 6 . 52073 GNP 7 . SING N3B PB N N 7 . 52073 GNP 8 . SING N3B HNB3 N N 8 . 52073 GNP 9 . DOUB PB O1B N N 9 . 52073 GNP 10 . SING PB O2B N N 10 . 52073 GNP 11 . SING PB O3A N N 11 . 52073 GNP 12 . SING O2B HOB2 N N 12 . 52073 GNP 13 . SING O3A PA N N 13 . 52073 GNP 14 . DOUB PA O1A N N 14 . 52073 GNP 15 . SING PA O2A N N 15 . 52073 GNP 16 . SING PA O5' N N 16 . 52073 GNP 17 . SING O2A HOA2 N N 17 . 52073 GNP 18 . SING O5' C5' N N 18 . 52073 GNP 19 . SING C5' C4' N N 19 . 52073 GNP 20 . SING C5' H5'2 N N 20 . 52073 GNP 21 . SING C5' H5'1 N N 21 . 52073 GNP 22 . SING C4' O4' N N 22 . 52073 GNP 23 . SING C4' C3' N N 23 . 52073 GNP 24 . SING C4' H4' N N 24 . 52073 GNP 25 . SING O4' C1' N N 25 . 52073 GNP 26 . SING C3' O3' N N 26 . 52073 GNP 27 . SING C3' C2' N N 27 . 52073 GNP 28 . SING C3' H3' N N 28 . 52073 GNP 29 . SING O3' HO3' N N 29 . 52073 GNP 30 . SING C2' O2' N N 30 . 52073 GNP 31 . SING C2' C1' N N 31 . 52073 GNP 32 . SING C2' H2' N N 32 . 52073 GNP 33 . SING O2' HO2' N N 33 . 52073 GNP 34 . SING C1' N9 N N 34 . 52073 GNP 35 . SING C1' H1' N N 35 . 52073 GNP 36 . SING N9 C8 Y N 36 . 52073 GNP 37 . SING N9 C4 Y N 37 . 52073 GNP 38 . DOUB C8 N7 Y N 38 . 52073 GNP 39 . SING C8 H8 N N 39 . 52073 GNP 40 . SING N7 C5 Y N 40 . 52073 GNP 41 . SING C5 C6 Y N 41 . 52073 GNP 42 . DOUB C5 C4 Y N 42 . 52073 GNP 43 . DOUB C6 O6 N N 43 . 52073 GNP 44 . SING C6 N1 Y N 44 . 52073 GNP 45 . SING N1 C2 Y N 45 . 52073 GNP 46 . SING N1 HN1 N N 46 . 52073 GNP 47 . SING C2 N2 N N 47 . 52073 GNP 48 . DOUB C2 N3 Y N 48 . 52073 GNP 49 . SING N2 HN21 N N 49 . 52073 GNP 50 . SING N2 HN22 N N 50 . 52073 GNP 51 . SING N3 C4 Y N 51 . 52073 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 52073 _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 52073 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 52073 MG [Mg++] SMILES CACTVS 3.341 52073 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 52073 MG [Mg+2] SMILES ACDLabs 10.04 52073 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 52073 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52073 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 52073 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52073 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 . 52073 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52073 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; G12D K-Ras4b protein, [U-99% 13C; U-99% 15N], 0.8 +- 0.02 mM; GppNHp 0.8 mM; Mg2+ 0.8 mM; MgCl2 2 mM; potassium chloride 100 mM; sodium chloride 50 mM; TCEP, [U-2H], 1 mM; MES, [U-2H], 20 mM, pH 6.5; sodium azide 0.02%; D2O 7%; DSS 250 uM; 320 microL in Shigemi tube. ; _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 'KRAS4b protein' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.02 . . . 52073 1 2 GppNHp 'natural abundance' . . 2 $entity_GNP . . 0.8 . . mM 0.02 . . . 52073 1 3 MES [U-2H] . . . . . . 20 . . mM . . . . 52073 1 4 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 52073 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52073 1 6 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 52073 1 7 TCEP [U-2H] . . . . . . 1 . . mM . . . . 52073 1 8 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 52073 1 9 DSS 'natural abundance' . . . . . . 250 . . uM . . . . 52073 1 10 D2O 'natural abundance' . . . . . . 7 . . % . . . . 52073 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 52073 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details 'ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 298 K' 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 . M 52073 1 pH 6.5 . pH 52073 1 pressure 1 . atm 52073 1 temperature 298 . K 52073 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52073 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version v10.9 _Software.DOI . _Software.Details 'data processing' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52073 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52073 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version v10.9 _Software.DOI . _Software.Details 'data analysis' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52073 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52073 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version v2.4 _Software.DOI . _Software.Details 'peak picking and chemical shift assignment' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking and chemical shift assignment' . 52073 3 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 52073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 600 MHz' _NMR_spectrometer.Details 'equipped with 5 mm Cryoprobe QXI Z-axis gradient' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52073 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE III HD 750 MHz' _NMR_spectrometer.Details 'equipped with 5 mm Cryoprobe TXI Z-axis gradient' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52073 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'varian VNMRS DD, 800 MHz' _NMR_spectrometer.Details 'equipped with 5 mm cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 52073 _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 yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 3 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 4 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 5 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 7 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 8 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 9 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 10 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 11 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 12 '3D C(CO)NH' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 13 '3D CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 14 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 15 '3D HCCH-COSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 16 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52073 1 17 '3D 13C-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52073 1 18 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 19 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 20 '1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 21 '2D 1H-15N HSQC NH2 only' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52073 1 22 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52073 1 23 '2D HBCBCGCDCEHE' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 24 '2D HBCBCGCDHD' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52073 1 25 '3D 1H-13C NOESY aliphatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52073 1 26 '3D 1H-13C NOESY aromatic' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52073 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52073 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Used for CPMG data analysis in program NESSY' 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 52073 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CSReference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52073 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52073 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52073 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 52073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CSList_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 52073 1 2 '2D 1H-15N HSQC' . . . 52073 1 3 '2D 1H-13C HSQC' . . . 52073 1 4 '3D HNCACB' . . . 52073 1 5 '3D CBCA(CO)NH' . . . 52073 1 6 '3D HNCA' . . . 52073 1 8 '3D HNCO' . . . 52073 1 9 '3D HN(CA)CO' . . . 52073 1 10 '3D HBHA(CO)NH' . . . 52073 1 11 '3D H(CCO)NH' . . . 52073 1 12 '3D C(CO)NH' . . . 52073 1 13 '3D CCH-TOCSY' . . . 52073 1 14 '3D HCCH-TOCSY' . . . 52073 1 15 '3D HCCH-COSY' . . . 52073 1 16 '3D 15N-separated NOESY' . . . 52073 1 21 '2D 1H-15N HSQC NH2 only' . . . 52073 1 23 '2D HBCBCGCDCEHE' . . . 52073 1 24 '2D HBCBCGCDHD' . . . 52073 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 . . 52073 1 2 $software_2 . . 52073 1 3 $software_3 . . 52073 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.554 0.000 . . . . . . . 1 M H . 52073 1 2 . 1 . 1 1 1 MET HA H 1 4.552 0.000 . . . . . . . 1 M HA . 52073 1 3 . 1 . 1 1 1 MET HB2 H 1 1.887 0.000 . . . . . . . 1 M HB2 . 52073 1 4 . 1 . 1 1 1 MET HB3 H 1 1.945 0.000 . . . . . . . 1 M HB3 . 52073 1 5 . 1 . 1 1 1 MET HG2 H 1 2.341 0.000 . . . . . . . 1 M HG2 . 52073 1 6 . 1 . 1 1 1 MET HG3 H 1 2.389 0.000 . . . . . . . 1 M HG3 . 52073 1 7 . 1 . 1 1 1 MET HE1 H 1 1.967 0.000 . . . . . . . 1 M HE# . 52073 1 8 . 1 . 1 1 1 MET HE2 H 1 1.967 0.000 . . . . . . . 1 M HE# . 52073 1 9 . 1 . 1 1 1 MET HE3 H 1 1.967 0.000 . . . . . . . 1 M HE# . 52073 1 10 . 1 . 1 1 1 MET C C 13 175.381 0.000 . . . . . . . 1 M C . 52073 1 11 . 1 . 1 1 1 MET CA C 13 55.529 0.000 . . . . . . . 1 M CA . 52073 1 12 . 1 . 1 1 1 MET CB C 13 34.180 0.000 . . . . . . . 1 M CB . 52073 1 13 . 1 . 1 1 1 MET CG C 13 31.215 0.000 . . . . . . . 1 M CG . 52073 1 14 . 1 . 1 1 1 MET CE C 13 16.842 0.000 . . . . . . . 1 M CE . 52073 1 15 . 1 . 1 1 1 MET N N 15 120.580 0.000 . . . . . . . 1 M N . 52073 1 16 . 1 . 1 2 2 THR H H 1 8.768 0.000 . . . . . . . 2 T H . 52073 1 17 . 1 . 1 2 2 THR HA H 1 4.006 0.000 . . . . . . . 2 T HA . 52073 1 18 . 1 . 1 2 2 THR HB H 1 3.848 0.000 . . . . . . . 2 T HB . 52073 1 19 . 1 . 1 2 2 THR HG21 H 1 0.704 0.000 . . . . . . . 2 T QG2 . 52073 1 20 . 1 . 1 2 2 THR HG22 H 1 0.704 0.000 . . . . . . . 2 T QG2 . 52073 1 21 . 1 . 1 2 2 THR HG23 H 1 0.704 0.000 . . . . . . . 2 T QG2 . 52073 1 22 . 1 . 1 2 2 THR C C 13 171.972 0.000 . . . . . . . 2 T C . 52073 1 23 . 1 . 1 2 2 THR CA C 13 63.613 0.000 . . . . . . . 2 T CA . 52073 1 24 . 1 . 1 2 2 THR CB C 13 69.578 0.000 . . . . . . . 2 T CB . 52073 1 25 . 1 . 1 2 2 THR CG2 C 13 21.968 0.000 . . . . . . . 2 T CG2 . 52073 1 26 . 1 . 1 2 2 THR N N 15 123.466 0.000 . . . . . . . 2 T N . 52073 1 27 . 1 . 1 3 3 GLU H H 1 8.350 0.000 . . . . . . . 3 E H . 52073 1 28 . 1 . 1 3 3 GLU HA H 1 5.292 0.000 . . . . . . . 3 E HA . 52073 1 29 . 1 . 1 3 3 GLU HB2 H 1 1.779 0.000 . . . . . . . 3 E HB2 . 52073 1 30 . 1 . 1 3 3 GLU HB3 H 1 1.862 0.000 . . . . . . . 3 E HB3 . 52073 1 31 . 1 . 1 3 3 GLU HG2 H 1 1.997 0.000 . . . . . . . 3 E HG2 . 52073 1 32 . 1 . 1 3 3 GLU HG3 H 1 2.187 0.000 . . . . . . . 3 E HG3 . 52073 1 33 . 1 . 1 3 3 GLU C C 13 175.087 0.000 . . . . . . . 3 E C . 52073 1 34 . 1 . 1 3 3 GLU CA C 13 53.982 0.000 . . . . . . . 3 E CA . 52073 1 35 . 1 . 1 3 3 GLU CB C 13 31.905 0.000 . . . . . . . 3 E CB . 52073 1 36 . 1 . 1 3 3 GLU CG C 13 36.108 0.000 . . . . . . . 3 E CG . 52073 1 37 . 1 . 1 3 3 GLU N N 15 127.091 0.000 . . . . . . . 3 E N . 52073 1 38 . 1 . 1 4 4 TYR H H 1 8.768 0.000 . . . . . . . 4 Y H . 52073 1 39 . 1 . 1 4 4 TYR HA H 1 5.099 0.000 . . . . . . . 4 Y HA . 52073 1 40 . 1 . 1 4 4 TYR HB2 H 1 2.631 0.000 . . . . . . . 4 Y HB2 . 52073 1 41 . 1 . 1 4 4 TYR HB3 H 1 2.631 0.000 . . . . . . . 4 Y HB3 . 52073 1 42 . 1 . 1 4 4 TYR HD1 H 1 6.887 0.000 . . . . . . . 4 Y QD . 52073 1 43 . 1 . 1 4 4 TYR HD2 H 1 6.887 0.000 . . . . . . . 4 Y QD . 52073 1 44 . 1 . 1 4 4 TYR HE1 H 1 6.630 0.000 . . . . . . . 4 Y QE . 52073 1 45 . 1 . 1 4 4 TYR HE2 H 1 6.630 0.000 . . . . . . . 4 Y QE . 52073 1 46 . 1 . 1 4 4 TYR C C 13 174.703 0.000 . . . . . . . 4 Y C . 52073 1 47 . 1 . 1 4 4 TYR CA C 13 56.769 0.000 . . . . . . . 4 Y CA . 52073 1 48 . 1 . 1 4 4 TYR CB C 13 41.928 0.000 . . . . . . . 4 Y CB . 52073 1 49 . 1 . 1 4 4 TYR CD1 C 13 132.959 0.000 . . . . . . . 4 Y CD1 . 52073 1 50 . 1 . 1 4 4 TYR CD2 C 13 132.959 0.000 . . . . . . . 4 Y CD2 . 52073 1 51 . 1 . 1 4 4 TYR CE1 C 13 118.100 0.000 . . . . . . . 4 Y CE1 . 52073 1 52 . 1 . 1 4 4 TYR CE2 C 13 118.100 0.000 . . . . . . . 4 Y CE2 . 52073 1 53 . 1 . 1 4 4 TYR N N 15 122.372 0.000 . . . . . . . 4 Y N . 52073 1 54 . 1 . 1 5 5 LYS H H 1 9.108 0.000 . . . . . . . 5 K H . 52073 1 55 . 1 . 1 5 5 LYS HA H 1 5.139 0.000 . . . . . . . 5 K HA . 52073 1 56 . 1 . 1 5 5 LYS HB2 H 1 1.787 0.000 . . . . . . . 5 K HB2 . 52073 1 57 . 1 . 1 5 5 LYS HB3 H 1 1.918 0.000 . . . . . . . 5 K HB3 . 52073 1 58 . 1 . 1 5 5 LYS HG2 H 1 1.412 0.000 . . . . . . . 5 K HG2 . 52073 1 59 . 1 . 1 5 5 LYS HG3 H 1 1.469 0.000 . . . . . . . 5 K HG3 . 52073 1 60 . 1 . 1 5 5 LYS HD2 H 1 1.596 0.010 . . . . . . . 5 K HD2 . 52073 1 61 . 1 . 1 5 5 LYS HD3 H 1 1.596 0.010 . . . . . . . 5 K HD3 . 52073 1 62 . 1 . 1 5 5 LYS HE2 H 1 2.880 0.010 . . . . . . . 5 K HE2 . 52073 1 63 . 1 . 1 5 5 LYS HE3 H 1 2.880 0.010 . . . . . . . 5 K HE3 . 52073 1 64 . 1 . 1 5 5 LYS C C 13 175.175 0.000 . . . . . . . 5 K C . 52073 1 65 . 1 . 1 5 5 LYS CA C 13 55.457 0.000 . . . . . . . 5 K CA . 52073 1 66 . 1 . 1 5 5 LYS CB C 13 32.550 0.000 . . . . . . . 5 K CB . 52073 1 67 . 1 . 1 5 5 LYS CG C 13 24.999 0.000 . . . . . . . 5 K CG . 52073 1 68 . 1 . 1 5 5 LYS CD C 13 29.257 0.000 . . . . . . . 5 K CD . 52073 1 69 . 1 . 1 5 5 LYS CE C 13 42.080 0.000 . . . . . . . 5 K CE . 52073 1 70 . 1 . 1 5 5 LYS N N 15 123.635 0.000 . . . . . . . 5 K N . 52073 1 71 . 1 . 1 6 6 LEU H H 1 9.230 0.000 . . . . . . . 6 L H . 52073 1 72 . 1 . 1 6 6 LEU HA H 1 4.896 0.000 . . . . . . . 6 L HA . 52073 1 73 . 1 . 1 6 6 LEU HB2 H 1 1.173 0.000 . . . . . . . 6 L HB2 . 52073 1 74 . 1 . 1 6 6 LEU HB3 H 1 1.881 0.000 . . . . . . . 6 L HB3 . 52073 1 75 . 1 . 1 6 6 LEU HG H 1 1.719 0.000 . . . . . . . 6 L HG . 52073 1 76 . 1 . 1 6 6 LEU HD11 H 1 0.661 0.000 . . . . . . . 6 L QD1 . 52073 1 77 . 1 . 1 6 6 LEU HD12 H 1 0.661 0.000 . . . . . . . 6 L QD1 . 52073 1 78 . 1 . 1 6 6 LEU HD13 H 1 0.661 0.000 . . . . . . . 6 L QD1 . 52073 1 79 . 1 . 1 6 6 LEU HD21 H 1 0.948 0.000 . . . . . . . 6 L QD2 . 52073 1 80 . 1 . 1 6 6 LEU HD22 H 1 0.948 0.000 . . . . . . . 6 L QD2 . 52073 1 81 . 1 . 1 6 6 LEU HD23 H 1 0.948 0.000 . . . . . . . 6 L QD2 . 52073 1 82 . 1 . 1 6 6 LEU C C 13 175.186 0.000 . . . . . . . 6 L C . 52073 1 83 . 1 . 1 6 6 LEU CA C 13 53.066 0.000 . . . . . . . 6 L CA . 52073 1 84 . 1 . 1 6 6 LEU CB C 13 43.191 0.000 . . . . . . . 6 L CB . 52073 1 85 . 1 . 1 6 6 LEU CG C 13 27.399 0.000 . . . . . . . 6 L CG . 52073 1 86 . 1 . 1 6 6 LEU CD1 C 13 24.370 0.000 . . . . . . . 6 L CD1 . 52073 1 87 . 1 . 1 6 6 LEU CD2 C 13 26.640 0.000 . . . . . . . 6 L CD2 . 52073 1 88 . 1 . 1 6 6 LEU N N 15 126.380 0.000 . . . . . . . 6 L N . 52073 1 89 . 1 . 1 7 7 VAL H H 1 8.107 0.000 . . . . . . . 7 V H . 52073 1 90 . 1 . 1 7 7 VAL HA H 1 4.839 0.000 . . . . . . . 7 V HA . 52073 1 91 . 1 . 1 7 7 VAL HB H 1 1.750 0.000 . . . . . . . 7 V HB . 52073 1 92 . 1 . 1 7 7 VAL HG11 H 1 0.719 0.000 . . . . . . . 7 V QG1 . 52073 1 93 . 1 . 1 7 7 VAL HG12 H 1 0.719 0.000 . . . . . . . 7 V QG1 . 52073 1 94 . 1 . 1 7 7 VAL HG13 H 1 0.719 0.000 . . . . . . . 7 V QG1 . 52073 1 95 . 1 . 1 7 7 VAL HG21 H 1 0.990 0.000 . . . . . . . 7 V QG2 . 52073 1 96 . 1 . 1 7 7 VAL HG22 H 1 0.990 0.000 . . . . . . . 7 V QG2 . 52073 1 97 . 1 . 1 7 7 VAL HG23 H 1 0.990 0.000 . . . . . . . 7 V QG2 . 52073 1 98 . 1 . 1 7 7 VAL C C 13 174.292 0.000 . . . . . . . 7 V C . 52073 1 99 . 1 . 1 7 7 VAL CA C 13 60.761 0.000 . . . . . . . 7 V CA . 52073 1 100 . 1 . 1 7 7 VAL CB C 13 33.883 0.000 . . . . . . . 7 V CB . 52073 1 101 . 1 . 1 7 7 VAL CG1 C 13 22.105 0.000 . . . . . . . 7 V CG1 . 52073 1 102 . 1 . 1 7 7 VAL CG2 C 13 22.320 0.000 . . . . . . . 7 V CG2 . 52073 1 103 . 1 . 1 7 7 VAL N N 15 121.782 0.000 . . . . . . . 7 V N . 52073 1 104 . 1 . 1 8 8 VAL H H 1 8.777 0.000 . . . . . . . 8 V H . 52073 1 105 . 1 . 1 8 8 VAL HA H 1 4.674 0.000 . . . . . . . 8 V HA . 52073 1 106 . 1 . 1 8 8 VAL HB H 1 2.281 0.000 . . . . . . . 8 V HB . 52073 1 107 . 1 . 1 8 8 VAL HG11 H 1 0.942 0.000 . . . . . . . 8 V QG1 . 52073 1 108 . 1 . 1 8 8 VAL HG12 H 1 0.942 0.000 . . . . . . . 8 V QG1 . 52073 1 109 . 1 . 1 8 8 VAL HG13 H 1 0.942 0.000 . . . . . . . 8 V QG1 . 52073 1 110 . 1 . 1 8 8 VAL HG21 H 1 0.934 0.000 . . . . . . . 8 V QG2 . 52073 1 111 . 1 . 1 8 8 VAL HG22 H 1 0.934 0.000 . . . . . . . 8 V QG2 . 52073 1 112 . 1 . 1 8 8 VAL HG23 H 1 0.934 0.000 . . . . . . . 8 V QG2 . 52073 1 113 . 1 . 1 8 8 VAL C C 13 175.416 0.000 . . . . . . . 8 V C . 52073 1 114 . 1 . 1 8 8 VAL CA C 13 62.126 0.000 . . . . . . . 8 V CA . 52073 1 115 . 1 . 1 8 8 VAL CB C 13 32.705 0.000 . . . . . . . 8 V CB . 52073 1 116 . 1 . 1 8 8 VAL CG1 C 13 20.467 0.000 . . . . . . . 8 V CG1 . 52073 1 117 . 1 . 1 8 8 VAL CG2 C 13 22.343 0.000 . . . . . . . 8 V CG2 . 52073 1 118 . 1 . 1 8 8 VAL N N 15 128.727 0.000 . . . . . . . 8 V N . 52073 1 119 . 1 . 1 9 9 VAL H H 1 9.093 0.000 . . . . . . . 9 V H . 52073 1 120 . 1 . 1 9 9 VAL HA H 1 4.598 0.000 . . . . . . . 9 V HA . 52073 1 121 . 1 . 1 9 9 VAL HB H 1 2.052 0.000 . . . . . . . 9 V HB . 52073 1 122 . 1 . 1 9 9 VAL HG11 H 1 0.836 0.000 . . . . . . . 9 V QG1 . 52073 1 123 . 1 . 1 9 9 VAL HG12 H 1 0.836 0.000 . . . . . . . 9 V QG1 . 52073 1 124 . 1 . 1 9 9 VAL HG13 H 1 0.836 0.000 . . . . . . . 9 V QG1 . 52073 1 125 . 1 . 1 9 9 VAL HG21 H 1 0.997 0.000 . . . . . . . 9 V QG2 . 52073 1 126 . 1 . 1 9 9 VAL HG22 H 1 0.997 0.000 . . . . . . . 9 V QG2 . 52073 1 127 . 1 . 1 9 9 VAL HG23 H 1 0.997 0.000 . . . . . . . 9 V QG2 . 52073 1 128 . 1 . 1 9 9 VAL C C 13 172.891 0.000 . . . . . . . 9 V C . 52073 1 129 . 1 . 1 9 9 VAL CA C 13 59.123 0.000 . . . . . . . 9 V CA . 52073 1 130 . 1 . 1 9 9 VAL CB C 13 35.531 0.000 . . . . . . . 9 V CB . 52073 1 131 . 1 . 1 9 9 VAL CG1 C 13 20.834 0.000 . . . . . . . 9 V CG1 . 52073 1 132 . 1 . 1 9 9 VAL CG2 C 13 22.305 0.000 . . . . . . . 9 V CG2 . 52073 1 133 . 1 . 1 9 9 VAL N N 15 120.674 0.000 . . . . . . . 9 V N . 52073 1 134 . 1 . 1 10 10 GLY H H 1 7.460 0.000 . . . . . . . 10 G H . 52073 1 135 . 1 . 1 10 10 GLY HA2 H 1 2.989 0.000 . . . . . . . 10 G HA2 . 52073 1 136 . 1 . 1 10 10 GLY HA3 H 1 4.642 0.000 . . . . . . . 10 G HA3 . 52073 1 137 . 1 . 1 10 10 GLY C C 13 172.828 0.000 . . . . . . . 10 G C . 52073 1 138 . 1 . 1 10 10 GLY CA C 13 44.016 0.000 . . . . . . . 10 G CA . 52073 1 139 . 1 . 1 10 10 GLY N N 15 108.031 0.000 . . . . . . . 10 G N . 52073 1 140 . 1 . 1 11 11 ALA H H 1 9.041 0.000 . . . . . . . 11 A H . 52073 1 141 . 1 . 1 11 11 ALA HA H 1 4.548 0.000 . . . . . . . 11 A HA . 52073 1 142 . 1 . 1 11 11 ALA HB1 H 1 1.631 0.000 . . . . . . . 11 A HB# . 52073 1 143 . 1 . 1 11 11 ALA HB2 H 1 1.631 0.000 . . . . . . . 11 A HB# . 52073 1 144 . 1 . 1 11 11 ALA HB3 H 1 1.631 0.000 . . . . . . . 11 A HB# . 52073 1 145 . 1 . 1 11 11 ALA C C 13 176.792 0.000 . . . . . . . 11 A C . 52073 1 146 . 1 . 1 11 11 ALA CA C 13 52.541 0.000 . . . . . . . 11 A CA . 52073 1 147 . 1 . 1 11 11 ALA CB C 13 19.882 0.000 . . . . . . . 11 A CB . 52073 1 148 . 1 . 1 11 11 ALA N N 15 122.199 0.000 . . . . . . . 11 A N . 52073 1 149 . 1 . 1 12 12 ASP H H 1 8.425 0.000 . . . . . . . 12 D H . 52073 1 150 . 1 . 1 12 12 ASP HA H 1 5.015 0.000 . . . . . . . 12 D HA . 52073 1 151 . 1 . 1 12 12 ASP HB2 H 1 2.601 0.000 . . . . . . . 12 D HB2 . 52073 1 152 . 1 . 1 12 12 ASP HB3 H 1 2.699 0.000 . . . . . . . 12 D HB3 . 52073 1 153 . 1 . 1 12 12 ASP C C 13 178.669 0.000 . . . . . . . 12 D C . 52073 1 154 . 1 . 1 12 12 ASP CA C 13 55.232 0.000 . . . . . . . 12 D CA . 52073 1 155 . 1 . 1 12 12 ASP CB C 13 41.498 0.000 . . . . . . . 12 D CB . 52073 1 156 . 1 . 1 12 12 ASP N N 15 118.080 0.000 . . . . . . . 12 D N . 52073 1 157 . 1 . 1 13 13 GLY H H 1 8.597 0.000 . . . . . . . 13 G H . 52073 1 158 . 1 . 1 13 13 GLY HA2 H 1 4.191 0.000 . . . . . . . 13 G HA2 . 52073 1 159 . 1 . 1 13 13 GLY HA3 H 1 3.957 0.000 . . . . . . . 13 G HA3 . 52073 1 160 . 1 . 1 13 13 GLY C C 13 174.623 0.000 . . . . . . . 13 G C . 52073 1 161 . 1 . 1 13 13 GLY CA C 13 46.523 0.000 . . . . . . . 13 G CA . 52073 1 162 . 1 . 1 13 13 GLY N N 15 112.453 0.000 . . . . . . . 13 G N . 52073 1 163 . 1 . 1 14 14 VAL H H 1 7.462 0.000 . . . . . . . 14 V H . 52073 1 164 . 1 . 1 14 14 VAL HA H 1 3.994 0.000 . . . . . . . 14 V HA . 52073 1 165 . 1 . 1 14 14 VAL HB H 1 2.087 0.000 . . . . . . . 14 V HB . 52073 1 166 . 1 . 1 14 14 VAL HG11 H 1 0.964 0.000 . . . . . . . 14 V QG1 . 52073 1 167 . 1 . 1 14 14 VAL HG12 H 1 0.964 0.000 . . . . . . . 14 V QG1 . 52073 1 168 . 1 . 1 14 14 VAL HG13 H 1 0.964 0.000 . . . . . . . 14 V QG1 . 52073 1 169 . 1 . 1 14 14 VAL HG21 H 1 1.178 0.000 . . . . . . . 14 V QG2 . 52073 1 170 . 1 . 1 14 14 VAL HG22 H 1 1.178 0.000 . . . . . . . 14 V QG2 . 52073 1 171 . 1 . 1 14 14 VAL HG23 H 1 1.178 0.000 . . . . . . . 14 V QG2 . 52073 1 172 . 1 . 1 14 14 VAL C C 13 174.550 0.000 . . . . . . . 14 V C . 52073 1 173 . 1 . 1 14 14 VAL CA C 13 63.083 0.000 . . . . . . . 14 V CA . 52073 1 174 . 1 . 1 14 14 VAL CB C 13 32.075 0.000 . . . . . . . 14 V CB . 52073 1 175 . 1 . 1 14 14 VAL CG1 C 13 17.705 0.000 . . . . . . . 14 V CG1 . 52073 1 176 . 1 . 1 14 14 VAL CG2 C 13 22.077 0.000 . . . . . . . 14 V CG2 . 52073 1 177 . 1 . 1 14 14 VAL N N 15 112.084 0.000 . . . . . . . 14 V N . 52073 1 178 . 1 . 1 15 15 GLY H H 1 8.381 0.000 . . . . . . . 15 G H . 52073 1 179 . 1 . 1 15 15 GLY HA2 H 1 4.586 0.000 . . . . . . . 15 G HA2 . 52073 1 180 . 1 . 1 15 15 GLY HA3 H 1 4.300 0.000 . . . . . . . 15 G HA3 . 52073 1 181 . 1 . 1 15 15 GLY C C 13 173.333 0.000 . . . . . . . 15 G C . 52073 1 182 . 1 . 1 15 15 GLY CA C 13 45.772 0.000 . . . . . . . 15 G CA . 52073 1 183 . 1 . 1 15 15 GLY N N 15 107.937 0.000 . . . . . . . 15 G N . 52073 1 184 . 1 . 1 16 16 LYS H H 1 9.000 0.000 . . . . . . . 16 K H . 52073 1 185 . 1 . 1 16 16 LYS HA H 1 3.532 0.000 . . . . . . . 16 K HA . 52073 1 186 . 1 . 1 16 16 LYS HB2 H 1 1.686 0.000 . . . . . . . 16 K HB2 . 52073 1 187 . 1 . 1 16 16 LYS HB3 H 1 2.449 0.000 . . . . . . . 16 K HB3 . 52073 1 188 . 1 . 1 16 16 LYS C C 13 179.078 0.000 . . . . . . . 16 K C . 52073 1 189 . 1 . 1 16 16 LYS CA C 13 60.994 0.000 . . . . . . . 16 K CA . 52073 1 190 . 1 . 1 16 16 LYS CB C 13 30.122 0.000 . . . . . . . 16 K CB . 52073 1 191 . 1 . 1 16 16 LYS N N 15 123.464 0.000 . . . . . . . 16 K N . 52073 1 192 . 1 . 1 17 17 SER H H 1 9.479 0.000 . . . . . . . 17 S H . 52073 1 193 . 1 . 1 17 17 SER HA H 1 4.309 0.000 . . . . . . . 17 S HA . 52073 1 194 . 1 . 1 17 17 SER HB2 H 1 3.689 0.000 . . . . . . . 17 S HB2 . 52073 1 195 . 1 . 1 17 17 SER HB3 H 1 3.689 0.000 . . . . . . . 17 S HB3 . 52073 1 196 . 1 . 1 17 17 SER C C 13 175.623 0.000 . . . . . . . 17 S C . 52073 1 197 . 1 . 1 17 17 SER CA C 13 61.256 0.000 . . . . . . . 17 S CA . 52073 1 198 . 1 . 1 17 17 SER CB C 13 61.327 0.000 . . . . . . . 17 S CB . 52073 1 199 . 1 . 1 17 17 SER N N 15 119.821 0.000 . . . . . . . 17 S N . 52073 1 200 . 1 . 1 18 18 ALA H H 1 9.234 0.000 . . . . . . . 18 A H . 52073 1 201 . 1 . 1 18 18 ALA HA H 1 3.934 0.000 . . . . . . . 18 A HA . 52073 1 202 . 1 . 1 18 18 ALA HB1 H 1 1.433 0.000 . . . . . . . 18 A HB# . 52073 1 203 . 1 . 1 18 18 ALA HB2 H 1 1.433 0.000 . . . . . . . 18 A HB# . 52073 1 204 . 1 . 1 18 18 ALA HB3 H 1 1.433 0.000 . . . . . . . 18 A HB# . 52073 1 205 . 1 . 1 18 18 ALA C C 13 181.825 0.000 . . . . . . . 18 A C . 52073 1 206 . 1 . 1 18 18 ALA CA C 13 54.679 0.000 . . . . . . . 18 A CA . 52073 1 207 . 1 . 1 18 18 ALA CB C 13 18.753 0.000 . . . . . . . 18 A CB . 52073 1 208 . 1 . 1 18 18 ALA N N 15 125.617 0.000 . . . . . . . 18 A N . 52073 1 209 . 1 . 1 19 19 LEU H H 1 8.745 0.000 . . . . . . . 19 L H . 52073 1 210 . 1 . 1 19 19 LEU HA H 1 3.868 0.000 . . . . . . . 19 L HA . 52073 1 211 . 1 . 1 19 19 LEU HB2 H 1 2.209 0.000 . . . . . . . 19 L HB2 . 52073 1 212 . 1 . 1 19 19 LEU HB3 H 1 1.311 0.000 . . . . . . . 19 L HB3 . 52073 1 213 . 1 . 1 19 19 LEU HG H 1 1.894 0.000 . . . . . . . 19 L HG . 52073 1 214 . 1 . 1 19 19 LEU HD11 H 1 0.798 0.000 . . . . . . . 19 L QD1 . 52073 1 215 . 1 . 1 19 19 LEU HD12 H 1 0.798 0.000 . . . . . . . 19 L QD1 . 52073 1 216 . 1 . 1 19 19 LEU HD13 H 1 0.798 0.000 . . . . . . . 19 L QD1 . 52073 1 217 . 1 . 1 19 19 LEU HD21 H 1 0.629 0.000 . . . . . . . 19 L QD2 . 52073 1 218 . 1 . 1 19 19 LEU HD22 H 1 0.629 0.000 . . . . . . . 19 L QD2 . 52073 1 219 . 1 . 1 19 19 LEU HD23 H 1 0.629 0.000 . . . . . . . 19 L QD2 . 52073 1 220 . 1 . 1 19 19 LEU C C 13 177.494 0.000 . . . . . . . 19 L C . 52073 1 221 . 1 . 1 19 19 LEU CA C 13 58.849 0.000 . . . . . . . 19 L CA . 52073 1 222 . 1 . 1 19 19 LEU CB C 13 43.147 0.000 . . . . . . . 19 L CB . 52073 1 223 . 1 . 1 19 19 LEU CG C 13 27.384 0.000 . . . . . . . 19 L CG . 52073 1 224 . 1 . 1 19 19 LEU CD1 C 13 24.628 0.000 . . . . . . . 19 L CD1 . 52073 1 225 . 1 . 1 19 19 LEU CD2 C 13 26.827 0.000 . . . . . . . 19 L CD2 . 52073 1 226 . 1 . 1 19 19 LEU N N 15 119.956 0.000 . . . . . . . 19 L N . 52073 1 227 . 1 . 1 20 20 THR H H 1 7.540 0.000 . . . . . . . 20 T H . 52073 1 228 . 1 . 1 20 20 THR HA H 1 3.392 0.000 . . . . . . . 20 T HA . 52073 1 229 . 1 . 1 20 20 THR HB H 1 4.079 0.000 . . . . . . . 20 T HB . 52073 1 230 . 1 . 1 20 20 THR HG21 H 1 0.596 0.000 . . . . . . . 20 T QG2 . 52073 1 231 . 1 . 1 20 20 THR HG22 H 1 0.596 0.000 . . . . . . . 20 T QG2 . 52073 1 232 . 1 . 1 20 20 THR HG23 H 1 0.596 0.000 . . . . . . . 20 T QG2 . 52073 1 233 . 1 . 1 20 20 THR C C 13 175.687 0.000 . . . . . . . 20 T C . 52073 1 234 . 1 . 1 20 20 THR CA C 13 68.274 0.000 . . . . . . . 20 T CA . 52073 1 235 . 1 . 1 20 20 THR CB C 13 68.287 0.000 . . . . . . . 20 T CB . 52073 1 236 . 1 . 1 20 20 THR CG2 C 13 21.961 0.000 . . . . . . . 20 T CG2 . 52073 1 237 . 1 . 1 20 20 THR N N 15 116.867 0.000 . . . . . . . 20 T N . 52073 1 238 . 1 . 1 21 21 ILE H H 1 8.988 0.000 . . . . . . . 21 I H . 52073 1 239 . 1 . 1 21 21 ILE HA H 1 3.317 0.000 . . . . . . . 21 I HA . 52073 1 240 . 1 . 1 21 21 ILE HB H 1 1.854 0.000 . . . . . . . 21 I HB . 52073 1 241 . 1 . 1 21 21 ILE HG12 H 1 1.085 0.000 . . . . . . . 21 I HG12 . 52073 1 242 . 1 . 1 21 21 ILE HG13 H 1 1.313 0.000 . . . . . . . 21 I HG13 . 52073 1 243 . 1 . 1 21 21 ILE HG21 H 1 0.661 0.000 . . . . . . . 21 I QG2 . 52073 1 244 . 1 . 1 21 21 ILE HG22 H 1 0.661 0.000 . . . . . . . 21 I QG2 . 52073 1 245 . 1 . 1 21 21 ILE HG23 H 1 0.661 0.000 . . . . . . . 21 I QG2 . 52073 1 246 . 1 . 1 21 21 ILE HD11 H 1 0.572 0.000 . . . . . . . 21 I QD1 . 52073 1 247 . 1 . 1 21 21 ILE HD12 H 1 0.572 0.000 . . . . . . . 21 I QD1 . 52073 1 248 . 1 . 1 21 21 ILE HD13 H 1 0.572 0.000 . . . . . . . 21 I QD1 . 52073 1 249 . 1 . 1 21 21 ILE C C 13 179.289 0.000 . . . . . . . 21 I C . 52073 1 250 . 1 . 1 21 21 ILE CA C 13 64.179 0.000 . . . . . . . 21 I CA . 52073 1 251 . 1 . 1 21 21 ILE CB C 13 36.563 0.000 . . . . . . . 21 I CB . 52073 1 252 . 1 . 1 21 21 ILE CG1 C 13 29.544 0.000 . . . . . . . 21 I CG1 . 52073 1 253 . 1 . 1 21 21 ILE CG2 C 13 17.592 0.000 . . . . . . . 21 I CG2 . 52073 1 254 . 1 . 1 21 21 ILE CD1 C 13 11.644 0.000 . . . . . . . 21 I CD1 . 52073 1 255 . 1 . 1 21 21 ILE N N 15 120.737 0.000 . . . . . . . 21 I N . 52073 1 256 . 1 . 1 22 22 GLN H H 1 7.970 0.000 . . . . . . . 22 Q H . 52073 1 257 . 1 . 1 22 22 GLN HA H 1 4.376 0.000 . . . . . . . 22 Q HA . 52073 1 258 . 1 . 1 22 22 GLN HB2 H 1 1.968 0.010 . . . . . . . 22 Q HB2 . 52073 1 259 . 1 . 1 22 22 GLN HB3 H 1 2.365 0.000 . . . . . . . 22 Q HB3 . 52073 1 260 . 1 . 1 22 22 GLN HG2 H 1 2.379 0.000 . . . . . . . 22 Q HG2 . 52073 1 261 . 1 . 1 22 22 GLN HG3 H 1 2.602 0.000 . . . . . . . 22 Q HG3 . 52073 1 262 . 1 . 1 22 22 GLN HE21 H 1 6.618 0.000 . . . . . . . 22 Q HE21 . 52073 1 263 . 1 . 1 22 22 GLN HE22 H 1 7.748 0.000 . . . . . . . 22 Q HE22 . 52073 1 264 . 1 . 1 22 22 GLN C C 13 179.230 0.000 . . . . . . . 22 Q C . 52073 1 265 . 1 . 1 22 22 GLN CA C 13 59.108 0.000 . . . . . . . 22 Q CA . 52073 1 266 . 1 . 1 22 22 GLN CB C 13 29.480 0.000 . . . . . . . 22 Q CB . 52073 1 267 . 1 . 1 22 22 GLN CG C 13 33.557 0.000 . . . . . . . 22 Q CG . 52073 1 268 . 1 . 1 22 22 GLN N N 15 120.785 0.000 . . . . . . . 22 Q N . 52073 1 269 . 1 . 1 22 22 GLN NE2 N 15 107.495 0.000 . . . . . . . 22 Q NE2 . 52073 1 270 . 1 . 1 23 23 LEU H H 1 7.710 0.000 . . . . . . . 23 L H . 52073 1 271 . 1 . 1 23 23 LEU HA H 1 3.724 0.000 . . . . . . . 23 L HA . 52073 1 272 . 1 . 1 23 23 LEU HB2 H 1 0.970 0.000 . . . . . . . 23 L HB2 . 52073 1 273 . 1 . 1 23 23 LEU HB3 H 1 1.563 0.000 . . . . . . . 23 L HB3 . 52073 1 274 . 1 . 1 23 23 LEU HG H 1 0.906 0.000 . . . . . . . 23 L HG . 52073 1 275 . 1 . 1 23 23 LEU HD11 H 1 0.624 0.000 . . . . . . . 23 L QD1 . 52073 1 276 . 1 . 1 23 23 LEU HD12 H 1 0.624 0.000 . . . . . . . 23 L QD1 . 52073 1 277 . 1 . 1 23 23 LEU HD13 H 1 0.624 0.000 . . . . . . . 23 L QD1 . 52073 1 278 . 1 . 1 23 23 LEU HD21 H 1 -0.232 0.000 . . . . . . . 23 L QD2 . 52073 1 279 . 1 . 1 23 23 LEU HD22 H 1 -0.232 0.000 . . . . . . . 23 L QD2 . 52073 1 280 . 1 . 1 23 23 LEU HD23 H 1 -0.232 0.000 . . . . . . . 23 L QD2 . 52073 1 281 . 1 . 1 23 23 LEU C C 13 178.129 0.000 . . . . . . . 23 L C . 52073 1 282 . 1 . 1 23 23 LEU CA C 13 58.208 0.000 . . . . . . . 23 L CA . 52073 1 283 . 1 . 1 23 23 LEU CB C 13 40.735 0.000 . . . . . . . 23 L CB . 52073 1 284 . 1 . 1 23 23 LEU CG C 13 26.245 0.000 . . . . . . . 23 L CG . 52073 1 285 . 1 . 1 23 23 LEU CD1 C 13 22.706 0.000 . . . . . . . 23 L CD1 . 52073 1 286 . 1 . 1 23 23 LEU CD2 C 13 24.071 0.000 . . . . . . . 23 L CD2 . 52073 1 287 . 1 . 1 23 23 LEU N N 15 120.583 0.000 . . . . . . . 23 L N . 52073 1 288 . 1 . 1 24 24 ILE H H 1 8.025 0.000 . . . . . . . 24 I H . 52073 1 289 . 1 . 1 24 24 ILE HA H 1 3.685 0.000 . . . . . . . 24 I HA . 52073 1 290 . 1 . 1 24 24 ILE HB H 1 1.787 0.000 . . . . . . . 24 I HB . 52073 1 291 . 1 . 1 24 24 ILE HG12 H 1 1.117 0.000 . . . . . . . 24 I HG12 . 52073 1 292 . 1 . 1 24 24 ILE HG13 H 1 1.550 0.000 . . . . . . . 24 I HG13 . 52073 1 293 . 1 . 1 24 24 ILE HG21 H 1 0.972 0.000 . . . . . . . 24 I QG2 . 52073 1 294 . 1 . 1 24 24 ILE HG22 H 1 0.972 0.000 . . . . . . . 24 I QG2 . 52073 1 295 . 1 . 1 24 24 ILE HG23 H 1 0.972 0.000 . . . . . . . 24 I QG2 . 52073 1 296 . 1 . 1 24 24 ILE HD11 H 1 0.497 0.000 . . . . . . . 24 I QD1 . 52073 1 297 . 1 . 1 24 24 ILE HD12 H 1 0.497 0.000 . . . . . . . 24 I QD1 . 52073 1 298 . 1 . 1 24 24 ILE HD13 H 1 0.497 0.000 . . . . . . . 24 I QD1 . 52073 1 299 . 1 . 1 24 24 ILE C C 13 177.439 0.000 . . . . . . . 24 I C . 52073 1 300 . 1 . 1 24 24 ILE CA C 13 62.105 0.000 . . . . . . . 24 I CA . 52073 1 301 . 1 . 1 24 24 ILE CB C 13 37.557 0.000 . . . . . . . 24 I CB . 52073 1 302 . 1 . 1 24 24 ILE CG1 C 13 26.358 0.000 . . . . . . . 24 I CG1 . 52073 1 303 . 1 . 1 24 24 ILE CG2 C 13 17.589 0.000 . . . . . . . 24 I CG2 . 52073 1 304 . 1 . 1 24 24 ILE CD1 C 13 10.720 0.000 . . . . . . . 24 I CD1 . 52073 1 305 . 1 . 1 24 24 ILE N N 15 113.810 0.000 . . . . . . . 24 I N . 52073 1 306 . 1 . 1 25 25 GLN H H 1 8.837 0.000 . . . . . . . 25 Q H . 52073 1 307 . 1 . 1 25 25 GLN HA H 1 4.532 0.000 . . . . . . . 25 Q HA . 52073 1 308 . 1 . 1 25 25 GLN HB2 H 1 1.826 0.000 . . . . . . . 25 Q HB2 . 52073 1 309 . 1 . 1 25 25 GLN HB3 H 1 2.175 0.000 . . . . . . . 25 Q HB3 . 52073 1 310 . 1 . 1 25 25 GLN HG2 H 1 2.244 0.000 . . . . . . . 25 Q HG2 . 52073 1 311 . 1 . 1 25 25 GLN HG3 H 1 2.413 0.000 . . . . . . . 25 Q HG3 . 52073 1 312 . 1 . 1 25 25 GLN HE21 H 1 7.508 0.000 . . . . . . . 25 Q HE21 . 52073 1 313 . 1 . 1 25 25 GLN HE22 H 1 6.946 0.000 . . . . . . . 25 Q HE22 . 52073 1 314 . 1 . 1 25 25 GLN C C 13 176.280 0.000 . . . . . . . 25 Q C . 52073 1 315 . 1 . 1 25 25 GLN CA C 13 55.349 0.000 . . . . . . . 25 Q CA . 52073 1 316 . 1 . 1 25 25 GLN CB C 13 30.081 0.000 . . . . . . . 25 Q CB . 52073 1 317 . 1 . 1 25 25 GLN CG C 13 33.667 0.000 . . . . . . . 25 Q CG . 52073 1 318 . 1 . 1 25 25 GLN N N 15 115.788 0.000 . . . . . . . 25 Q N . 52073 1 319 . 1 . 1 25 25 GLN NE2 N 15 110.487 0.000 . . . . . . . 25 Q NE2 . 52073 1 320 . 1 . 1 26 26 ASN H H 1 7.998 0.000 . . . . . . . 26 N H . 52073 1 321 . 1 . 1 26 26 ASN HA H 1 4.821 0.000 . . . . . . . 26 N HA . 52073 1 322 . 1 . 1 26 26 ASN HB2 H 1 2.774 0.000 . . . . . . . 26 N HB2 . 52073 1 323 . 1 . 1 26 26 ASN HB3 H 1 3.068 0.000 . . . . . . . 26 N HB3 . 52073 1 324 . 1 . 1 26 26 ASN HD21 H 1 6.735 0.000 . . . . . . . 26 N HD21 . 52073 1 325 . 1 . 1 26 26 ASN HD22 H 1 7.461 0.000 . . . . . . . 26 N HD22 . 52073 1 326 . 1 . 1 26 26 ASN C C 13 174.240 0.000 . . . . . . . 26 N C . 52073 1 327 . 1 . 1 26 26 ASN CA C 13 54.406 0.000 . . . . . . . 26 N CA . 52073 1 328 . 1 . 1 26 26 ASN CB C 13 37.390 0.000 . . . . . . . 26 N CB . 52073 1 329 . 1 . 1 26 26 ASN N N 15 116.407 0.000 . . . . . . . 26 N N . 52073 1 330 . 1 . 1 26 26 ASN ND2 N 15 112.082 0.000 . . . . . . . 26 N ND2 . 52073 1 331 . 1 . 1 27 27 HIS H H 1 6.807 0.000 . . . . . . . 27 H H . 52073 1 332 . 1 . 1 27 27 HIS HA H 1 4.878 0.000 . . . . . . . 27 H HA . 52073 1 333 . 1 . 1 27 27 HIS HB2 H 1 2.994 0.000 . . . . . . . 27 H HB2 . 52073 1 334 . 1 . 1 27 27 HIS HB3 H 1 3.114 0.000 . . . . . . . 27 H HB3 . 52073 1 335 . 1 . 1 27 27 HIS HD2 H 1 6.927 0.000 . . . . . . . 27 H HD2 . 52073 1 336 . 1 . 1 27 27 HIS HE1 H 1 8.485 0.000 . . . . . . . 27 H HE1 . 52073 1 337 . 1 . 1 27 27 HIS C C 13 172.346 0.000 . . . . . . . 27 H C . 52073 1 338 . 1 . 1 27 27 HIS CA C 13 54.274 0.000 . . . . . . . 27 H CA . 52073 1 339 . 1 . 1 27 27 HIS CB C 13 31.869 0.000 . . . . . . . 27 H CB . 52073 1 340 . 1 . 1 27 27 HIS CD2 C 13 119.762 0.000 . . . . . . . 27 H CD2 . 52073 1 341 . 1 . 1 27 27 HIS CE1 C 13 136.683 0.000 . . . . . . . 27 H CE1 . 52073 1 342 . 1 . 1 27 27 HIS N N 15 110.745 0.000 . . . . . . . 27 H N . 52073 1 343 . 1 . 1 28 28 PHE H H 1 8.670 0.000 . . . . . . . 28 F H . 52073 1 344 . 1 . 1 28 28 PHE HA H 1 4.946 0.000 . . . . . . . 28 F HA . 52073 1 345 . 1 . 1 28 28 PHE HB2 H 1 3.065 0.000 . . . . . . . 28 F HB2 . 52073 1 346 . 1 . 1 28 28 PHE HB3 H 1 2.848 0.000 . . . . . . . 28 F HB3 . 52073 1 347 . 1 . 1 28 28 PHE HD1 H 1 7.037 0.000 . . . . . . . 28 F QD . 52073 1 348 . 1 . 1 28 28 PHE HD2 H 1 7.037 0.000 . . . . . . . 28 F QD . 52073 1 349 . 1 . 1 28 28 PHE HE1 H 1 6.549 0.000 . . . . . . . 28 F QE . 52073 1 350 . 1 . 1 28 28 PHE HE2 H 1 6.549 0.000 . . . . . . . 28 F QE . 52073 1 351 . 1 . 1 28 28 PHE HZ H 1 6.700 0.000 . . . . . . . 28 F HZ . 52073 1 352 . 1 . 1 28 28 PHE C C 13 174.940 0.000 . . . . . . . 28 F C . 52073 1 353 . 1 . 1 28 28 PHE CA C 13 55.916 0.000 . . . . . . . 28 F CA . 52073 1 354 . 1 . 1 28 28 PHE CB C 13 40.392 0.000 . . . . . . . 28 F CB . 52073 1 355 . 1 . 1 28 28 PHE CD1 C 13 132.003 0.000 . . . . . . . 28 F CD1 . 52073 1 356 . 1 . 1 28 28 PHE CD2 C 13 132.003 0.000 . . . . . . . 28 F CD2 . 52073 1 357 . 1 . 1 28 28 PHE CE1 C 13 130.243 0.000 . . . . . . . 28 F CE1 . 52073 1 358 . 1 . 1 28 28 PHE CE2 C 13 130.243 0.000 . . . . . . . 28 F CE2 . 52073 1 359 . 1 . 1 28 28 PHE CZ C 13 130.203 0.000 . . . . . . . 28 F CZ . 52073 1 360 . 1 . 1 28 28 PHE N N 15 122.394 0.000 . . . . . . . 28 F N . 52073 1 361 . 1 . 1 29 29 VAL H H 1 7.417 0.000 . . . . . . . 29 V H . 52073 1 362 . 1 . 1 29 29 VAL HA H 1 3.944 0.000 . . . . . . . 29 V HA . 52073 1 363 . 1 . 1 29 29 VAL HB H 1 1.794 0.000 . . . . . . . 29 V HB . 52073 1 364 . 1 . 1 29 29 VAL HG11 H 1 0.691 0.000 . . . . . . . 29 V QG1 . 52073 1 365 . 1 . 1 29 29 VAL HG12 H 1 0.691 0.000 . . . . . . . 29 V QG1 . 52073 1 366 . 1 . 1 29 29 VAL HG13 H 1 0.691 0.000 . . . . . . . 29 V QG1 . 52073 1 367 . 1 . 1 29 29 VAL HG21 H 1 0.599 0.000 . . . . . . . 29 V QG2 . 52073 1 368 . 1 . 1 29 29 VAL HG22 H 1 0.599 0.000 . . . . . . . 29 V QG2 . 52073 1 369 . 1 . 1 29 29 VAL HG23 H 1 0.599 0.000 . . . . . . . 29 V QG2 . 52073 1 370 . 1 . 1 29 29 VAL C C 13 173.852 0.000 . . . . . . . 29 V C . 52073 1 371 . 1 . 1 29 29 VAL CA C 13 61.269 0.000 . . . . . . . 29 V CA . 52073 1 372 . 1 . 1 29 29 VAL CB C 13 33.256 0.000 . . . . . . . 29 V CB . 52073 1 373 . 1 . 1 29 29 VAL CG1 C 13 21.354 0.000 . . . . . . . 29 V CG1 . 52073 1 374 . 1 . 1 29 29 VAL CG2 C 13 19.619 0.000 . . . . . . . 29 V CG2 . 52073 1 375 . 1 . 1 29 29 VAL N N 15 125.171 0.000 . . . . . . . 29 V N . 52073 1 376 . 1 . 1 30 30 ASP H H 1 7.643 0.000 . . . . . . . 30 D H . 52073 1 377 . 1 . 1 30 30 ASP HA H 1 4.217 0.000 . . . . . . . 30 D HA . 52073 1 378 . 1 . 1 30 30 ASP HB2 H 1 2.511 0.000 . . . . . . . 30 D HB2 . 52073 1 379 . 1 . 1 30 30 ASP HB3 H 1 2.594 0.000 . . . . . . . 30 D HB3 . 52073 1 380 . 1 . 1 30 30 ASP C C 13 176.043 0.000 . . . . . . . 30 D C . 52073 1 381 . 1 . 1 30 30 ASP CA C 13 54.753 0.000 . . . . . . . 30 D CA . 52073 1 382 . 1 . 1 30 30 ASP CB C 13 41.389 0.000 . . . . . . . 30 D CB . 52073 1 383 . 1 . 1 30 30 ASP N N 15 122.066 0.000 . . . . . . . 30 D N . 52073 1 384 . 1 . 1 31 31 GLU H H 1 7.890 0.000 . . . . . . . 31 E H . 52073 1 385 . 1 . 1 31 31 GLU HA H 1 4.278 0.000 . . . . . . . 31 E HA . 52073 1 386 . 1 . 1 31 31 GLU HB2 H 1 1.879 0.000 . . . . . . . 31 E HB2 . 52073 1 387 . 1 . 1 31 31 GLU HB3 H 1 1.960 0.000 . . . . . . . 31 E HB3 . 52073 1 388 . 1 . 1 31 31 GLU HG2 H 1 2.100 0.010 . . . . . . . 31 E HG2 . 52073 1 389 . 1 . 1 31 31 GLU HG3 H 1 2.100 0.000 . . . . . . . 31 E HG3 . 52073 1 390 . 1 . 1 31 31 GLU C C 13 174.898 0.000 . . . . . . . 31 E C . 52073 1 391 . 1 . 1 31 31 GLU CA C 13 56.321 0.000 . . . . . . . 31 E CA . 52073 1 392 . 1 . 1 31 31 GLU CB C 13 30.644 0.000 . . . . . . . 31 E CB . 52073 1 393 . 1 . 1 31 31 GLU CG C 13 35.900 0.000 . . . . . . . 31 E CG . 52073 1 394 . 1 . 1 31 31 GLU N N 15 118.483 0.000 . . . . . . . 31 E N . 52073 1 395 . 1 . 1 32 32 TYR H H 1 8.262 0.000 . . . . . . . 32 Y H . 52073 1 396 . 1 . 1 32 32 TYR HA H 1 4.463 0.000 . . . . . . . 32 Y HA . 52073 1 397 . 1 . 1 32 32 TYR HB2 H 1 2.881 0.000 . . . . . . . 32 Y HB2 . 52073 1 398 . 1 . 1 32 32 TYR HB3 H 1 2.881 0.000 . . . . . . . 32 Y HB3 . 52073 1 399 . 1 . 1 32 32 TYR HD1 H 1 7.044 0.000 . . . . . . . 32 Y QD . 52073 1 400 . 1 . 1 32 32 TYR HD2 H 1 7.044 0.000 . . . . . . . 32 Y QD . 52073 1 401 . 1 . 1 32 32 TYR HE1 H 1 6.763 0.000 . . . . . . . 32 Y QE . 52073 1 402 . 1 . 1 32 32 TYR HE2 H 1 6.763 0.000 . . . . . . . 32 Y QE . 52073 1 403 . 1 . 1 32 32 TYR C C 13 174.401 0.000 . . . . . . . 32 Y C . 52073 1 404 . 1 . 1 32 32 TYR CA C 13 57.747 0.000 . . . . . . . 32 Y CA . 52073 1 405 . 1 . 1 32 32 TYR CB C 13 39.309 0.000 . . . . . . . 32 Y CB . 52073 1 406 . 1 . 1 32 32 TYR CD1 C 13 132.943 0.000 . . . . . . . 32 Y CD1 . 52073 1 407 . 1 . 1 32 32 TYR CD2 C 13 132.943 0.000 . . . . . . . 32 Y CD2 . 52073 1 408 . 1 . 1 32 32 TYR CE1 C 13 118.176 0.000 . . . . . . . 32 Y CE1 . 52073 1 409 . 1 . 1 32 32 TYR CE2 C 13 118.176 0.000 . . . . . . . 32 Y CE2 . 52073 1 410 . 1 . 1 32 32 TYR N N 15 121.810 0.000 . . . . . . . 32 Y N . 52073 1 411 . 1 . 1 33 33 ASP H H 1 8.091 0.000 . . . . . . . 33 D H . 52073 1 412 . 1 . 1 33 33 ASP HA H 1 4.862 0.000 . . . . . . . 33 D HA . 52073 1 413 . 1 . 1 33 33 ASP HB2 H 1 2.454 0.000 . . . . . . . 33 D HB2 . 52073 1 414 . 1 . 1 33 33 ASP HB3 H 1 2.697 0.000 . . . . . . . 33 D HB3 . 52073 1 415 . 1 . 1 33 33 ASP C C 13 173.955 0.000 . . . . . . . 33 D C . 52073 1 416 . 1 . 1 33 33 ASP CA C 13 51.426 0.000 . . . . . . . 33 D CA . 52073 1 417 . 1 . 1 33 33 ASP CB C 13 41.486 0.000 . . . . . . . 33 D CB . 52073 1 418 . 1 . 1 33 33 ASP N N 15 125.868 0.000 . . . . . . . 33 D N . 52073 1 419 . 1 . 1 34 34 PRO HA H 1 4.406 0.000 . . . . . . . 34 P HA . 52073 1 420 . 1 . 1 34 34 PRO HB2 H 1 2.006 0.000 . . . . . . . 34 P HB2 . 52073 1 421 . 1 . 1 34 34 PRO HB3 H 1 2.282 0.000 . . . . . . . 34 P HB3 . 52073 1 422 . 1 . 1 34 34 PRO HG2 H 1 1.969 0.010 . . . . . . . 34 P HG2 . 52073 1 423 . 1 . 1 34 34 PRO HG3 H 1 1.969 0.000 . . . . . . . 34 P HG3 . 52073 1 424 . 1 . 1 34 34 PRO HD2 H 1 3.569 0.000 . . . . . . . 34 P HD2 . 52073 1 425 . 1 . 1 34 34 PRO HD3 H 1 3.746 0.000 . . . . . . . 34 P HD3 . 52073 1 426 . 1 . 1 34 34 PRO C C 13 176.929 0.000 . . . . . . . 34 P C . 52073 1 427 . 1 . 1 34 34 PRO CA C 13 63.247 0.000 . . . . . . . 34 P CA . 52073 1 428 . 1 . 1 34 34 PRO CB C 13 32.245 0.000 . . . . . . . 34 P CB . 52073 1 429 . 1 . 1 34 34 PRO CG C 13 26.920 0.000 . . . . . . . 34 P CG . 52073 1 430 . 1 . 1 34 34 PRO CD C 13 50.707 0.000 . . . . . . . 34 P CD . 52073 1 431 . 1 . 1 35 35 SER H H 1 8.479 0.000 . . . . . . . 35 S H . 52073 1 432 . 1 . 1 35 35 SER HA H 1 4.420 0.000 . . . . . . . 35 S HA . 52073 1 433 . 1 . 1 35 35 SER HB2 H 1 3.844 0.000 . . . . . . . 35 S HB2 . 52073 1 434 . 1 . 1 35 35 SER HB3 H 1 3.888 0.000 . . . . . . . 35 S HB3 . 52073 1 435 . 1 . 1 35 35 SER C C 13 174.703 0.000 . . . . . . . 35 S C . 52073 1 436 . 1 . 1 35 35 SER CA C 13 58.529 0.000 . . . . . . . 35 S CA . 52073 1 437 . 1 . 1 35 35 SER CB C 13 63.816 0.000 . . . . . . . 35 S CB . 52073 1 438 . 1 . 1 35 35 SER N N 15 116.193 0.000 . . . . . . . 35 S N . 52073 1 439 . 1 . 1 36 36 ILE H H 1 7.872 0.000 . . . . . . . 36 I H . 52073 1 440 . 1 . 1 36 36 ILE HA H 1 4.202 0.000 . . . . . . . 36 I HA . 52073 1 441 . 1 . 1 36 36 ILE HB H 1 1.910 0.000 . . . . . . . 36 I HB . 52073 1 442 . 1 . 1 36 36 ILE HG12 H 1 1.140 0.000 . . . . . . . 36 I HG12 . 52073 1 443 . 1 . 1 36 36 ILE HG13 H 1 1.410 0.000 . . . . . . . 36 I HG13 . 52073 1 444 . 1 . 1 36 36 ILE HG21 H 1 0.904 0.000 . . . . . . . 36 I QG2 . 52073 1 445 . 1 . 1 36 36 ILE HG22 H 1 0.904 0.000 . . . . . . . 36 I QG2 . 52073 1 446 . 1 . 1 36 36 ILE HG23 H 1 0.904 0.000 . . . . . . . 36 I QG2 . 52073 1 447 . 1 . 1 36 36 ILE HD11 H 1 0.841 0.000 . . . . . . . 36 I QD1 . 52073 1 448 . 1 . 1 36 36 ILE HD12 H 1 0.841 0.000 . . . . . . . 36 I QD1 . 52073 1 449 . 1 . 1 36 36 ILE HD13 H 1 0.841 0.000 . . . . . . . 36 I QD1 . 52073 1 450 . 1 . 1 36 36 ILE C C 13 175.920 0.000 . . . . . . . 36 I C . 52073 1 451 . 1 . 1 36 36 ILE CA C 13 61.637 0.000 . . . . . . . 36 I CA . 52073 1 452 . 1 . 1 36 36 ILE CB C 13 38.735 0.000 . . . . . . . 36 I CB . 52073 1 453 . 1 . 1 36 36 ILE CG1 C 13 27.187 0.000 . . . . . . . 36 I CG1 . 52073 1 454 . 1 . 1 36 36 ILE CG2 C 13 17.714 0.000 . . . . . . . 36 I CG2 . 52073 1 455 . 1 . 1 36 36 ILE CD1 C 13 13.304 0.000 . . . . . . . 36 I CD1 . 52073 1 456 . 1 . 1 36 36 ILE N N 15 121.665 0.000 . . . . . . . 36 I N . 52073 1 457 . 1 . 1 37 37 GLU H H 1 8.188 0.000 . . . . . . . 37 E H . 52073 1 458 . 1 . 1 37 37 GLU HA H 1 4.392 0.000 . . . . . . . 37 E HA . 52073 1 459 . 1 . 1 37 37 GLU HB2 H 1 1.790 0.000 . . . . . . . 37 E HB2 . 52073 1 460 . 1 . 1 37 37 GLU HB3 H 1 1.990 0.000 . . . . . . . 37 E HB3 . 52073 1 461 . 1 . 1 37 37 GLU HG2 H 1 2.195 0.000 . . . . . . . 37 E HG2 . 52073 1 462 . 1 . 1 37 37 GLU HG3 H 1 2.195 0.000 . . . . . . . 37 E HG3 . 52073 1 463 . 1 . 1 37 37 GLU C C 13 175.274 0.000 . . . . . . . 37 E C . 52073 1 464 . 1 . 1 37 37 GLU CA C 13 56.142 0.000 . . . . . . . 37 E CA . 52073 1 465 . 1 . 1 37 37 GLU CB C 13 30.758 0.000 . . . . . . . 37 E CB . 52073 1 466 . 1 . 1 37 37 GLU CG C 13 36.166 0.000 . . . . . . . 37 E CG . 52073 1 467 . 1 . 1 37 37 GLU N N 15 123.593 0.000 . . . . . . . 37 E N . 52073 1 468 . 1 . 1 38 38 ASP H H 1 8.116 0.000 . . . . . . . 38 D H . 52073 1 469 . 1 . 1 38 38 ASP HA H 1 4.659 0.000 . . . . . . . 38 D HA . 52073 1 470 . 1 . 1 38 38 ASP HB2 H 1 2.537 0.000 . . . . . . . 38 D HB2 . 52073 1 471 . 1 . 1 38 38 ASP HB3 H 1 2.684 0.000 . . . . . . . 38 D HB3 . 52073 1 472 . 1 . 1 38 38 ASP C C 13 174.560 0.000 . . . . . . . 38 D C . 52073 1 473 . 1 . 1 38 38 ASP CA C 13 54.060 0.000 . . . . . . . 38 D CA . 52073 1 474 . 1 . 1 38 38 ASP CB C 13 42.141 0.000 . . . . . . . 38 D CB . 52073 1 475 . 1 . 1 38 38 ASP N N 15 120.686 0.000 . . . . . . . 38 D N . 52073 1 476 . 1 . 1 39 39 SER H H 1 7.779 0.000 . . . . . . . 39 S H . 52073 1 477 . 1 . 1 39 39 SER HA H 1 4.967 0.000 . . . . . . . 39 S HA . 52073 1 478 . 1 . 1 39 39 SER HB2 H 1 3.628 0.000 . . . . . . . 39 S HB2 . 52073 1 479 . 1 . 1 39 39 SER HB3 H 1 3.649 0.000 . . . . . . . 39 S HB3 . 52073 1 480 . 1 . 1 39 39 SER C C 13 173.340 0.000 . . . . . . . 39 S C . 52073 1 481 . 1 . 1 39 39 SER CA C 13 56.919 0.000 . . . . . . . 39 S CA . 52073 1 482 . 1 . 1 39 39 SER CB C 13 64.861 0.000 . . . . . . . 39 S CB . 52073 1 483 . 1 . 1 39 39 SER N N 15 113.448 0.000 . . . . . . . 39 S N . 52073 1 484 . 1 . 1 40 40 TYR H H 1 8.917 0.000 . . . . . . . 40 Y H . 52073 1 485 . 1 . 1 40 40 TYR HA H 1 4.673 0.000 . . . . . . . 40 Y HA . 52073 1 486 . 1 . 1 40 40 TYR HB2 H 1 2.708 0.000 . . . . . . . 40 Y HB2 . 52073 1 487 . 1 . 1 40 40 TYR HB3 H 1 2.908 0.000 . . . . . . . 40 Y HB3 . 52073 1 488 . 1 . 1 40 40 TYR HD1 H 1 6.997 0.000 . . . . . . . 40 Y QD . 52073 1 489 . 1 . 1 40 40 TYR HD2 H 1 6.997 0.000 . . . . . . . 40 Y QD . 52073 1 490 . 1 . 1 40 40 TYR HE1 H 1 6.767 0.000 . . . . . . . 40 Y QE . 52073 1 491 . 1 . 1 40 40 TYR HE2 H 1 6.767 0.000 . . . . . . . 40 Y QE . 52073 1 492 . 1 . 1 40 40 TYR C C 13 174.156 0.000 . . . . . . . 40 Y C . 52073 1 493 . 1 . 1 40 40 TYR CA C 13 56.964 0.000 . . . . . . . 40 Y CA . 52073 1 494 . 1 . 1 40 40 TYR CB C 13 41.622 0.000 . . . . . . . 40 Y CB . 52073 1 495 . 1 . 1 40 40 TYR CD1 C 13 133.144 0.000 . . . . . . . 40 Y CD1 . 52073 1 496 . 1 . 1 40 40 TYR CD2 C 13 133.144 0.000 . . . . . . . 40 Y CD2 . 52073 1 497 . 1 . 1 40 40 TYR CE1 C 13 118.091 0.000 . . . . . . . 40 Y CE1 . 52073 1 498 . 1 . 1 40 40 TYR CE2 C 13 118.091 0.000 . . . . . . . 40 Y CE2 . 52073 1 499 . 1 . 1 40 40 TYR N N 15 122.505 0.000 . . . . . . . 40 Y N . 52073 1 500 . 1 . 1 41 41 ARG H H 1 8.283 0.000 . . . . . . . 41 R H . 52073 1 501 . 1 . 1 41 41 ARG HA H 1 5.799 0.000 . . . . . . . 41 R HA . 52073 1 502 . 1 . 1 41 41 ARG HB2 H 1 1.674 0.000 . . . . . . . 41 R HB2 . 52073 1 503 . 1 . 1 41 41 ARG HB3 H 1 1.674 0.010 . . . . . . . 41 R HB3 . 52073 1 504 . 1 . 1 41 41 ARG HG2 H 1 1.534 0.000 . . . . . . . 41 R HG2 . 52073 1 505 . 1 . 1 41 41 ARG HG3 H 1 1.555 0.000 . . . . . . . 41 R HG3 . 52073 1 506 . 1 . 1 41 41 ARG HD2 H 1 3.072 0.000 . . . . . . . 41 R HD2 . 52073 1 507 . 1 . 1 41 41 ARG HD3 H 1 3.126 0.000 . . . . . . . 41 R HD3 . 52073 1 508 . 1 . 1 41 41 ARG HE H 1 7.440 0.000 . . . . . . . 41 R HE . 52073 1 509 . 1 . 1 41 41 ARG C C 13 175.945 0.000 . . . . . . . 41 R C . 52073 1 510 . 1 . 1 41 41 ARG CA C 13 54.285 0.000 . . . . . . . 41 R CA . 52073 1 511 . 1 . 1 41 41 ARG CB C 13 34.170 0.000 . . . . . . . 41 R CB . 52073 1 512 . 1 . 1 41 41 ARG CG C 13 27.685 0.000 . . . . . . . 41 R CG . 52073 1 513 . 1 . 1 41 41 ARG CD C 13 43.709 0.000 . . . . . . . 41 R CD . 52073 1 514 . 1 . 1 41 41 ARG N N 15 120.676 0.000 . . . . . . . 41 R N . 52073 1 515 . 1 . 1 41 41 ARG NE N 15 84.217 0.000 . . . . . . . 41 R NE . 52073 1 516 . 1 . 1 42 42 LYS H H 1 8.683 0.000 . . . . . . . 42 K H . 52073 1 517 . 1 . 1 42 42 LYS HA H 1 4.506 0.000 . . . . . . . 42 K HA . 52073 1 518 . 1 . 1 42 42 LYS HB2 H 1 1.677 0.000 . . . . . . . 42 K HB2 . 52073 1 519 . 1 . 1 42 42 LYS HB3 H 1 1.471 0.000 . . . . . . . 42 K HB3 . 52073 1 520 . 1 . 1 42 42 LYS HG2 H 1 1.254 0.000 . . . . . . . 42 K HG2 . 52073 1 521 . 1 . 1 42 42 LYS HG3 H 1 1.474 0.000 . . . . . . . 42 K HG3 . 52073 1 522 . 1 . 1 42 42 LYS HD2 H 1 1.396 0.000 . . . . . . . 42 K HD2 . 52073 1 523 . 1 . 1 42 42 LYS HD3 H 1 1.729 0.000 . . . . . . . 42 K HD3 . 52073 1 524 . 1 . 1 42 42 LYS HE2 H 1 3.050 0.010 . . . . . . . 42 K HE2 . 52073 1 525 . 1 . 1 42 42 LYS HE3 H 1 3.050 0.000 . . . . . . . 42 K HE3 . 52073 1 526 . 1 . 1 42 42 LYS C C 13 173.696 0.000 . . . . . . . 42 K C . 52073 1 527 . 1 . 1 42 42 LYS CA C 13 55.595 0.000 . . . . . . . 42 K CA . 52073 1 528 . 1 . 1 42 42 LYS CB C 13 38.064 0.000 . . . . . . . 42 K CB . 52073 1 529 . 1 . 1 42 42 LYS CG C 13 25.091 0.000 . . . . . . . 42 K CG . 52073 1 530 . 1 . 1 42 42 LYS CD C 13 30.373 0.000 . . . . . . . 42 K CD . 52073 1 531 . 1 . 1 42 42 LYS CE C 13 42.350 0.000 . . . . . . . 42 K CE . 52073 1 532 . 1 . 1 42 42 LYS N N 15 122.479 0.000 . . . . . . . 42 K N . 52073 1 533 . 1 . 1 43 43 GLN H H 1 8.871 0.000 . . . . . . . 43 Q H . 52073 1 534 . 1 . 1 43 43 GLN HA H 1 5.297 0.000 . . . . . . . 43 Q HA . 52073 1 535 . 1 . 1 43 43 GLN HB2 H 1 1.943 0.000 . . . . . . . 43 Q HB2 . 52073 1 536 . 1 . 1 43 43 GLN HB3 H 1 1.943 0.010 . . . . . . . 43 Q HB3 . 52073 1 537 . 1 . 1 43 43 GLN HG2 H 1 2.235 0.000 . . . . . . . 43 Q HG2 . 52073 1 538 . 1 . 1 43 43 GLN HG3 H 1 2.121 0.000 . . . . . . . 43 Q HG3 . 52073 1 539 . 1 . 1 43 43 GLN HE21 H 1 7.264 0.000 . . . . . . . 43 Q HE21 . 52073 1 540 . 1 . 1 43 43 GLN HE22 H 1 6.786 0.000 . . . . . . . 43 Q HE22 . 52073 1 541 . 1 . 1 43 43 GLN C C 13 175.241 0.000 . . . . . . . 43 Q C . 52073 1 542 . 1 . 1 43 43 GLN CA C 13 55.375 0.000 . . . . . . . 43 Q CA . 52073 1 543 . 1 . 1 43 43 GLN CB C 13 29.900 0.000 . . . . . . . 43 Q CB . 52073 1 544 . 1 . 1 43 43 GLN CG C 13 34.584 0.000 . . . . . . . 43 Q CG . 52073 1 545 . 1 . 1 43 43 GLN N N 15 128.855 0.000 . . . . . . . 43 Q N . 52073 1 546 . 1 . 1 43 43 GLN NE2 N 15 111.532 0.000 . . . . . . . 43 Q NE2 . 52073 1 547 . 1 . 1 44 44 VAL H H 1 9.071 0.000 . . . . . . . 44 V H . 52073 1 548 . 1 . 1 44 44 VAL HA H 1 4.735 0.000 . . . . . . . 44 V HA . 52073 1 549 . 1 . 1 44 44 VAL HB H 1 2.022 0.000 . . . . . . . 44 V HB . 52073 1 550 . 1 . 1 44 44 VAL HG11 H 1 0.850 0.000 . . . . . . . 44 V QG1 . 52073 1 551 . 1 . 1 44 44 VAL HG12 H 1 0.850 0.000 . . . . . . . 44 V QG1 . 52073 1 552 . 1 . 1 44 44 VAL HG13 H 1 0.850 0.000 . . . . . . . 44 V QG1 . 52073 1 553 . 1 . 1 44 44 VAL HG21 H 1 0.703 0.000 . . . . . . . 44 V QG2 . 52073 1 554 . 1 . 1 44 44 VAL HG22 H 1 0.703 0.000 . . . . . . . 44 V QG2 . 52073 1 555 . 1 . 1 44 44 VAL HG23 H 1 0.703 0.000 . . . . . . . 44 V QG2 . 52073 1 556 . 1 . 1 44 44 VAL C C 13 173.131 0.000 . . . . . . . 44 V C . 52073 1 557 . 1 . 1 44 44 VAL CA C 13 59.559 0.000 . . . . . . . 44 V CA . 52073 1 558 . 1 . 1 44 44 VAL CB C 13 36.167 0.000 . . . . . . . 44 V CB . 52073 1 559 . 1 . 1 44 44 VAL CG1 C 13 21.751 0.000 . . . . . . . 44 V CG1 . 52073 1 560 . 1 . 1 44 44 VAL CG2 C 13 19.912 0.000 . . . . . . . 44 V CG2 . 52073 1 561 . 1 . 1 44 44 VAL N N 15 121.444 0.000 . . . . . . . 44 V N . 52073 1 562 . 1 . 1 45 45 VAL H H 1 8.122 0.000 . . . . . . . 45 V H . 52073 1 563 . 1 . 1 45 45 VAL HA H 1 4.593 0.000 . . . . . . . 45 V HA . 52073 1 564 . 1 . 1 45 45 VAL HB H 1 1.851 0.000 . . . . . . . 45 V HB . 52073 1 565 . 1 . 1 45 45 VAL HG11 H 1 0.633 0.000 . . . . . . . 45 V QG1 . 52073 1 566 . 1 . 1 45 45 VAL HG12 H 1 0.633 0.000 . . . . . . . 45 V QG1 . 52073 1 567 . 1 . 1 45 45 VAL HG13 H 1 0.633 0.000 . . . . . . . 45 V QG1 . 52073 1 568 . 1 . 1 45 45 VAL HG21 H 1 0.879 0.000 . . . . . . . 45 V QG2 . 52073 1 569 . 1 . 1 45 45 VAL HG22 H 1 0.879 0.000 . . . . . . . 45 V QG2 . 52073 1 570 . 1 . 1 45 45 VAL HG23 H 1 0.879 0.000 . . . . . . . 45 V QG2 . 52073 1 571 . 1 . 1 45 45 VAL C C 13 175.615 0.000 . . . . . . . 45 V C . 52073 1 572 . 1 . 1 45 45 VAL CA C 13 61.719 0.000 . . . . . . . 45 V CA . 52073 1 573 . 1 . 1 45 45 VAL CB C 13 32.316 0.000 . . . . . . . 45 V CB . 52073 1 574 . 1 . 1 45 45 VAL CG1 C 13 20.870 0.000 . . . . . . . 45 V CG1 . 52073 1 575 . 1 . 1 45 45 VAL CG2 C 13 20.952 0.000 . . . . . . . 45 V CG2 . 52073 1 576 . 1 . 1 45 45 VAL N N 15 121.885 0.000 . . . . . . . 45 V N . 52073 1 577 . 1 . 1 46 46 ILE H H 1 8.265 0.000 . . . . . . . 46 I H . 52073 1 578 . 1 . 1 46 46 ILE HA H 1 3.968 0.000 . . . . . . . 46 I HA . 52073 1 579 . 1 . 1 46 46 ILE HB H 1 1.354 0.000 . . . . . . . 46 I HB . 52073 1 580 . 1 . 1 46 46 ILE HG12 H 1 0.903 0.000 . . . . . . . 46 I HG12 . 52073 1 581 . 1 . 1 46 46 ILE HG13 H 1 -0.331 0.000 . . . . . . . 46 I HG13 . 52073 1 582 . 1 . 1 46 46 ILE HG21 H 1 0.524 0.000 . . . . . . . 46 I QG2 . 52073 1 583 . 1 . 1 46 46 ILE HG22 H 1 0.524 0.000 . . . . . . . 46 I QG2 . 52073 1 584 . 1 . 1 46 46 ILE HG23 H 1 0.524 0.000 . . . . . . . 46 I QG2 . 52073 1 585 . 1 . 1 46 46 ILE HD11 H 1 0.448 0.000 . . . . . . . 46 I QD1 . 52073 1 586 . 1 . 1 46 46 ILE HD12 H 1 0.448 0.000 . . . . . . . 46 I QD1 . 52073 1 587 . 1 . 1 46 46 ILE HD13 H 1 0.448 0.000 . . . . . . . 46 I QD1 . 52073 1 588 . 1 . 1 46 46 ILE C C 13 176.464 0.000 . . . . . . . 46 I C . 52073 1 589 . 1 . 1 46 46 ILE CA C 13 60.302 0.000 . . . . . . . 46 I CA . 52073 1 590 . 1 . 1 46 46 ILE CB C 13 40.072 0.000 . . . . . . . 46 I CB . 52073 1 591 . 1 . 1 46 46 ILE CG1 C 13 26.011 0.000 . . . . . . . 46 I CG1 . 52073 1 592 . 1 . 1 46 46 ILE CG2 C 13 16.343 0.000 . . . . . . . 46 I CG2 . 52073 1 593 . 1 . 1 46 46 ILE CD1 C 13 15.168 0.000 . . . . . . . 46 I CD1 . 52073 1 594 . 1 . 1 46 46 ILE N N 15 125.802 0.000 . . . . . . . 46 I N . 52073 1 595 . 1 . 1 47 47 ASP H H 1 9.560 0.000 . . . . . . . 47 D H . 52073 1 596 . 1 . 1 47 47 ASP HA H 1 4.257 0.000 . . . . . . . 47 D HA . 52073 1 597 . 1 . 1 47 47 ASP HB2 H 1 2.783 0.000 . . . . . . . 47 D HB2 . 52073 1 598 . 1 . 1 47 47 ASP HB3 H 1 2.887 0.000 . . . . . . . 47 D HB3 . 52073 1 599 . 1 . 1 47 47 ASP C C 13 176.170 0.000 . . . . . . . 47 D C . 52073 1 600 . 1 . 1 47 47 ASP CA C 13 55.302 0.000 . . . . . . . 47 D CA . 52073 1 601 . 1 . 1 47 47 ASP CB C 13 39.378 0.000 . . . . . . . 47 D CB . 52073 1 602 . 1 . 1 47 47 ASP N N 15 130.486 0.000 . . . . . . . 47 D N . 52073 1 603 . 1 . 1 48 48 GLY H H 1 8.305 0.000 . . . . . . . 48 G H . 52073 1 604 . 1 . 1 48 48 GLY HA2 H 1 3.450 0.000 . . . . . . . 48 G HA2 . 52073 1 605 . 1 . 1 48 48 GLY HA3 H 1 4.141 0.000 . . . . . . . 48 G HA3 . 52073 1 606 . 1 . 1 48 48 GLY C C 13 173.160 0.000 . . . . . . . 48 G C . 52073 1 607 . 1 . 1 48 48 GLY CA C 13 45.335 0.000 . . . . . . . 48 G CA . 52073 1 608 . 1 . 1 48 48 GLY N N 15 103.300 0.000 . . . . . . . 48 G N . 52073 1 609 . 1 . 1 49 49 GLU H H 1 7.701 0.000 . . . . . . . 49 E H . 52073 1 610 . 1 . 1 49 49 GLU HA H 1 4.632 0.000 . . . . . . . 49 E HA . 52073 1 611 . 1 . 1 49 49 GLU HB2 H 1 2.045 0.000 . . . . . . . 49 E HB2 . 52073 1 612 . 1 . 1 49 49 GLU HB3 H 1 1.811 0.000 . . . . . . . 49 E HB3 . 52073 1 613 . 1 . 1 49 49 GLU HG2 H 1 2.099 0.000 . . . . . . . 49 E HG2 . 52073 1 614 . 1 . 1 49 49 GLU HG3 H 1 2.259 0.000 . . . . . . . 49 E HG3 . 52073 1 615 . 1 . 1 49 49 GLU C C 13 175.594 0.000 . . . . . . . 49 E C . 52073 1 616 . 1 . 1 49 49 GLU CA C 13 54.704 0.000 . . . . . . . 49 E CA . 52073 1 617 . 1 . 1 49 49 GLU CB C 13 32.023 0.000 . . . . . . . 49 E CB . 52073 1 618 . 1 . 1 49 49 GLU CG C 13 36.233 0.000 . . . . . . . 49 E CG . 52073 1 619 . 1 . 1 49 49 GLU N N 15 122.525 0.000 . . . . . . . 49 E N . 52073 1 620 . 1 . 1 50 50 THR H H 1 8.967 0.000 . . . . . . . 50 T H . 52073 1 621 . 1 . 1 50 50 THR HA H 1 4.632 0.000 . . . . . . . 50 T HA . 52073 1 622 . 1 . 1 50 50 THR HB H 1 4.092 0.000 . . . . . . . 50 T HB . 52073 1 623 . 1 . 1 50 50 THR HG21 H 1 1.181 0.000 . . . . . . . 50 T QG2 . 52073 1 624 . 1 . 1 50 50 THR HG22 H 1 1.181 0.000 . . . . . . . 50 T QG2 . 52073 1 625 . 1 . 1 50 50 THR HG23 H 1 1.181 0.000 . . . . . . . 50 T QG2 . 52073 1 626 . 1 . 1 50 50 THR C C 13 173.555 0.000 . . . . . . . 50 T C . 52073 1 627 . 1 . 1 50 50 THR CA C 13 63.800 0.000 . . . . . . . 50 T CA . 52073 1 628 . 1 . 1 50 50 THR CB C 13 68.387 0.000 . . . . . . . 50 T CB . 52073 1 629 . 1 . 1 50 50 THR CG2 C 13 22.020 0.010 . . . . . . . 50 T CG2 . 52073 1 630 . 1 . 1 50 50 THR N N 15 125.770 0.000 . . . . . . . 50 T N . 52073 1 631 . 1 . 1 51 51 CYS H H 1 9.411 0.000 . . . . . . . 51 C H . 52073 1 632 . 1 . 1 51 51 CYS HA H 1 5.138 0.000 . . . . . . . 51 C HA . 52073 1 633 . 1 . 1 51 51 CYS HB2 H 1 2.837 0.000 . . . . . . . 51 C HB2 . 52073 1 634 . 1 . 1 51 51 CYS HB3 H 1 2.914 0.000 . . . . . . . 51 C HB3 . 52073 1 635 . 1 . 1 51 51 CYS C C 13 171.311 0.000 . . . . . . . 51 C C . 52073 1 636 . 1 . 1 51 51 CYS CA C 13 56.554 0.000 . . . . . . . 51 C CA . 52073 1 637 . 1 . 1 51 51 CYS CB C 13 31.411 0.000 . . . . . . . 51 C CB . 52073 1 638 . 1 . 1 51 51 CYS N N 15 124.679 0.000 . . . . . . . 51 C N . 52073 1 639 . 1 . 1 52 52 LEU H H 1 8.807 0.000 . . . . . . . 52 L H . 52073 1 640 . 1 . 1 52 52 LEU HA H 1 4.920 0.000 . . . . . . . 52 L HA . 52073 1 641 . 1 . 1 52 52 LEU HB2 H 1 1.465 0.000 . . . . . . . 52 L HB2 . 52073 1 642 . 1 . 1 52 52 LEU HB3 H 1 1.560 0.000 . . . . . . . 52 L HB3 . 52073 1 643 . 1 . 1 52 52 LEU HG H 1 1.454 0.000 . . . . . . . 52 L HG . 52073 1 644 . 1 . 1 52 52 LEU HD11 H 1 0.852 0.000 . . . . . . . 52 L QD1 . 52073 1 645 . 1 . 1 52 52 LEU HD12 H 1 0.852 0.000 . . . . . . . 52 L QD1 . 52073 1 646 . 1 . 1 52 52 LEU HD13 H 1 0.852 0.000 . . . . . . . 52 L QD1 . 52073 1 647 . 1 . 1 52 52 LEU HD21 H 1 0.782 0.000 . . . . . . . 52 L QD2 . 52073 1 648 . 1 . 1 52 52 LEU HD22 H 1 0.782 0.000 . . . . . . . 52 L QD2 . 52073 1 649 . 1 . 1 52 52 LEU HD23 H 1 0.782 0.000 . . . . . . . 52 L QD2 . 52073 1 650 . 1 . 1 52 52 LEU C C 13 174.925 0.000 . . . . . . . 52 L C . 52073 1 651 . 1 . 1 52 52 LEU CA C 13 53.376 0.000 . . . . . . . 52 L CA . 52073 1 652 . 1 . 1 52 52 LEU CB C 13 44.187 0.000 . . . . . . . 52 L CB . 52073 1 653 . 1 . 1 52 52 LEU CG C 13 27.336 0.000 . . . . . . . 52 L CG . 52073 1 654 . 1 . 1 52 52 LEU CD1 C 13 23.492 0.000 . . . . . . . 52 L CD1 . 52073 1 655 . 1 . 1 52 52 LEU CD2 C 13 24.587 0.000 . . . . . . . 52 L CD2 . 52073 1 656 . 1 . 1 52 52 LEU N N 15 122.347 0.000 . . . . . . . 52 L N . 52073 1 657 . 1 . 1 53 53 LEU H H 1 9.117 0.000 . . . . . . . 53 L H . 52073 1 658 . 1 . 1 53 53 LEU HA H 1 4.879 0.000 . . . . . . . 53 L HA . 52073 1 659 . 1 . 1 53 53 LEU HB2 H 1 1.170 0.000 . . . . . . . 53 L HB2 . 52073 1 660 . 1 . 1 53 53 LEU HB3 H 1 1.925 0.000 . . . . . . . 53 L HB3 . 52073 1 661 . 1 . 1 53 53 LEU HG H 1 1.856 0.000 . . . . . . . 53 L HG . 52073 1 662 . 1 . 1 53 53 LEU HD11 H 1 0.784 0.000 . . . . . . . 53 L QD1 . 52073 1 663 . 1 . 1 53 53 LEU HD12 H 1 0.784 0.000 . . . . . . . 53 L QD1 . 52073 1 664 . 1 . 1 53 53 LEU HD13 H 1 0.784 0.000 . . . . . . . 53 L QD1 . 52073 1 665 . 1 . 1 53 53 LEU HD21 H 1 0.772 0.000 . . . . . . . 53 L QD2 . 52073 1 666 . 1 . 1 53 53 LEU HD22 H 1 0.772 0.000 . . . . . . . 53 L QD2 . 52073 1 667 . 1 . 1 53 53 LEU HD23 H 1 0.772 0.000 . . . . . . . 53 L QD2 . 52073 1 668 . 1 . 1 53 53 LEU C C 13 174.597 0.000 . . . . . . . 53 L C . 52073 1 669 . 1 . 1 53 53 LEU CA C 13 53.654 0.000 . . . . . . . 53 L CA . 52073 1 670 . 1 . 1 53 53 LEU CB C 13 42.102 0.000 . . . . . . . 53 L CB . 52073 1 671 . 1 . 1 53 53 LEU CG C 13 26.998 0.000 . . . . . . . 53 L CG . 52073 1 672 . 1 . 1 53 53 LEU CD1 C 13 24.169 0.000 . . . . . . . 53 L CD1 . 52073 1 673 . 1 . 1 53 53 LEU CD2 C 13 25.489 0.000 . . . . . . . 53 L CD2 . 52073 1 674 . 1 . 1 53 53 LEU N N 15 123.628 0.000 . . . . . . . 53 L N . 52073 1 675 . 1 . 1 54 54 ASP H H 1 8.761 0.000 . . . . . . . 54 D H . 52073 1 676 . 1 . 1 54 54 ASP HA H 1 5.267 0.000 . . . . . . . 54 D HA . 52073 1 677 . 1 . 1 54 54 ASP HB2 H 1 2.371 0.000 . . . . . . . 54 D HB2 . 52073 1 678 . 1 . 1 54 54 ASP HB3 H 1 2.801 0.000 . . . . . . . 54 D HB3 . 52073 1 679 . 1 . 1 54 54 ASP C C 13 174.739 0.000 . . . . . . . 54 D C . 52073 1 680 . 1 . 1 54 54 ASP CA C 13 52.806 0.000 . . . . . . . 54 D CA . 52073 1 681 . 1 . 1 54 54 ASP CB C 13 42.059 0.000 . . . . . . . 54 D CB . 52073 1 682 . 1 . 1 54 54 ASP N N 15 124.913 0.000 . . . . . . . 54 D N . 52073 1 683 . 1 . 1 55 55 ILE H H 1 9.104 0.000 . . . . . . . 55 I H . 52073 1 684 . 1 . 1 55 55 ILE HA H 1 4.709 0.000 . . . . . . . 55 I HA . 52073 1 685 . 1 . 1 55 55 ILE HB H 1 1.823 0.000 . . . . . . . 55 I HB . 52073 1 686 . 1 . 1 55 55 ILE HG12 H 1 1.038 0.000 . . . . . . . 55 I HG12 . 52073 1 687 . 1 . 1 55 55 ILE HG13 H 1 1.317 0.000 . . . . . . . 55 I HG13 . 52073 1 688 . 1 . 1 55 55 ILE HG21 H 1 0.856 0.000 . . . . . . . 55 I QG2 . 52073 1 689 . 1 . 1 55 55 ILE HG22 H 1 0.856 0.000 . . . . . . . 55 I QG2 . 52073 1 690 . 1 . 1 55 55 ILE HG23 H 1 0.856 0.000 . . . . . . . 55 I QG2 . 52073 1 691 . 1 . 1 55 55 ILE HD11 H 1 0.536 0.000 . . . . . . . 55 I QD1 . 52073 1 692 . 1 . 1 55 55 ILE HD12 H 1 0.536 0.000 . . . . . . . 55 I QD1 . 52073 1 693 . 1 . 1 55 55 ILE HD13 H 1 0.536 0.000 . . . . . . . 55 I QD1 . 52073 1 694 . 1 . 1 55 55 ILE C C 13 174.659 0.000 . . . . . . . 55 I C . 52073 1 695 . 1 . 1 55 55 ILE CA C 13 60.147 0.000 . . . . . . . 55 I CA . 52073 1 696 . 1 . 1 55 55 ILE CB C 13 39.534 0.000 . . . . . . . 55 I CB . 52073 1 697 . 1 . 1 55 55 ILE CG1 C 13 28.091 0.000 . . . . . . . 55 I CG1 . 52073 1 698 . 1 . 1 55 55 ILE CG2 C 13 19.562 0.000 . . . . . . . 55 I CG2 . 52073 1 699 . 1 . 1 55 55 ILE CD1 C 13 14.528 0.000 . . . . . . . 55 I CD1 . 52073 1 700 . 1 . 1 55 55 ILE N N 15 123.669 0.000 . . . . . . . 55 I N . 52073 1 701 . 1 . 1 56 56 LEU H H 1 8.942 0.000 . . . . . . . 56 L H . 52073 1 702 . 1 . 1 56 56 LEU HA H 1 4.635 0.000 . . . . . . . 56 L HA . 52073 1 703 . 1 . 1 56 56 LEU HB2 H 1 1.400 0.000 . . . . . . . 56 L HB2 . 52073 1 704 . 1 . 1 56 56 LEU HB3 H 1 1.400 0.000 . . . . . . . 56 L HB3 . 52073 1 705 . 1 . 1 56 56 LEU HG H 1 1.282 0.000 . . . . . . . 56 L HG . 52073 1 706 . 1 . 1 56 56 LEU HD11 H 1 0.598 0.000 . . . . . . . 56 L QD1 . 52073 1 707 . 1 . 1 56 56 LEU HD12 H 1 0.598 0.000 . . . . . . . 56 L QD1 . 52073 1 708 . 1 . 1 56 56 LEU HD13 H 1 0.598 0.000 . . . . . . . 56 L QD1 . 52073 1 709 . 1 . 1 56 56 LEU HD21 H 1 0.522 0.000 . . . . . . . 56 L QD2 . 52073 1 710 . 1 . 1 56 56 LEU HD22 H 1 0.522 0.000 . . . . . . . 56 L QD2 . 52073 1 711 . 1 . 1 56 56 LEU HD23 H 1 0.522 0.000 . . . . . . . 56 L QD2 . 52073 1 712 . 1 . 1 56 56 LEU C C 13 174.066 0.000 . . . . . . . 56 L C . 52073 1 713 . 1 . 1 56 56 LEU CA C 13 54.089 0.000 . . . . . . . 56 L CA . 52073 1 714 . 1 . 1 56 56 LEU CB C 13 42.151 0.000 . . . . . . . 56 L CB . 52073 1 715 . 1 . 1 56 56 LEU CG C 13 27.157 0.000 . . . . . . . 56 L CG . 52073 1 716 . 1 . 1 56 56 LEU CD1 C 13 23.951 0.000 . . . . . . . 56 L CD1 . 52073 1 717 . 1 . 1 56 56 LEU CD2 C 13 25.047 0.000 . . . . . . . 56 L CD2 . 52073 1 718 . 1 . 1 56 56 LEU N N 15 129.667 0.000 . . . . . . . 56 L N . 52073 1 719 . 1 . 1 57 57 ASP H H 1 8.643 0.000 . . . . . . . 57 D H . 52073 1 720 . 1 . 1 57 57 ASP HA H 1 4.754 0.000 . . . . . . . 57 D HA . 52073 1 721 . 1 . 1 57 57 ASP HB2 H 1 2.545 0.000 . . . . . . . 57 D HB2 . 52073 1 722 . 1 . 1 57 57 ASP HB3 H 1 2.893 0.010 . . . . . . . 57 D HB3 . 52073 1 723 . 1 . 1 57 57 ASP C C 13 176.307 0.000 . . . . . . . 57 D C . 52073 1 724 . 1 . 1 57 57 ASP CA C 13 53.147 0.000 . . . . . . . 57 D CA . 52073 1 725 . 1 . 1 57 57 ASP CB C 13 41.699 0.000 . . . . . . . 57 D CB . 52073 1 726 . 1 . 1 57 57 ASP N N 15 127.119 0.000 . . . . . . . 57 D N . 52073 1 727 . 1 . 1 58 58 THR H H 1 7.312 0.000 . . . . . . . 58 T H . 52073 1 728 . 1 . 1 58 58 THR HA H 1 4.407 0.000 . . . . . . . 58 T HA . 52073 1 729 . 1 . 1 58 58 THR HB H 1 4.256 0.000 . . . . . . . 58 T HB . 52073 1 730 . 1 . 1 58 58 THR HG21 H 1 1.117 0.010 . . . . . . . 58 T QG2 . 52073 1 731 . 1 . 1 58 58 THR HG22 H 1 1.117 0.010 . . . . . . . 58 T QG2 . 52073 1 732 . 1 . 1 58 58 THR HG23 H 1 1.117 0.010 . . . . . . . 58 T QG2 . 52073 1 733 . 1 . 1 58 58 THR C C 13 172.853 0.000 . . . . . . . 58 T C . 52073 1 734 . 1 . 1 58 58 THR CA C 13 61.611 0.000 . . . . . . . 58 T CA . 52073 1 735 . 1 . 1 58 58 THR CB C 13 71.584 0.000 . . . . . . . 58 T CB . 52073 1 736 . 1 . 1 58 58 THR CG2 C 13 22.420 0.010 . . . . . . . 58 T CG2 . 52073 1 737 . 1 . 1 58 58 THR N N 15 113.227 0.000 . . . . . . . 58 T N . 52073 1 738 . 1 . 1 59 59 ALA H H 1 8.357 0.000 . . . . . . . 59 A H . 52073 1 739 . 1 . 1 59 59 ALA HA H 1 4.704 0.000 . . . . . . . 59 A HA . 52073 1 740 . 1 . 1 59 59 ALA HB1 H 1 1.508 0.000 . . . . . . . 59 A HB# . 52073 1 741 . 1 . 1 59 59 ALA HB2 H 1 1.508 0.000 . . . . . . . 59 A HB# . 52073 1 742 . 1 . 1 59 59 ALA HB3 H 1 1.508 0.000 . . . . . . . 59 A HB# . 52073 1 743 . 1 . 1 59 59 ALA C C 13 179.251 0.000 . . . . . . . 59 A C . 52073 1 744 . 1 . 1 59 59 ALA CA C 13 51.706 0.000 . . . . . . . 59 A CA . 52073 1 745 . 1 . 1 59 59 ALA CB C 13 20.883 0.000 . . . . . . . 59 A CB . 52073 1 746 . 1 . 1 59 59 ALA N N 15 122.598 0.000 . . . . . . . 59 A N . 52073 1 747 . 1 . 1 60 60 GLY H H 1 8.980 0.000 . . . . . . . 60 G H . 52073 1 748 . 1 . 1 60 60 GLY HA2 H 1 4.303 0.000 . . . . . . . 60 G HA2 . 52073 1 749 . 1 . 1 60 60 GLY HA3 H 1 3.885 0.000 . . . . . . . 60 G HA3 . 52073 1 750 . 1 . 1 60 60 GLY C C 13 174.963 0.000 . . . . . . . 60 G C . 52073 1 751 . 1 . 1 60 60 GLY CA C 13 46.128 0.000 . . . . . . . 60 G CA . 52073 1 752 . 1 . 1 60 60 GLY N N 15 110.375 0.000 . . . . . . . 60 G N . 52073 1 753 . 1 . 1 61 61 GLN H H 1 8.325 0.000 . . . . . . . 61 Q H . 52073 1 754 . 1 . 1 61 61 GLN HA H 1 4.419 0.000 . . . . . . . 61 Q HA . 52073 1 755 . 1 . 1 61 61 GLN HB2 H 1 2.109 0.000 . . . . . . . 61 Q HB2 . 52073 1 756 . 1 . 1 61 61 GLN HB3 H 1 2.253 0.000 . . . . . . . 61 Q HB3 . 52073 1 757 . 1 . 1 61 61 GLN HG2 H 1 2.448 0.000 . . . . . . . 61 Q HG2 . 52073 1 758 . 1 . 1 61 61 GLN HG3 H 1 2.503 0.000 . . . . . . . 61 Q HG3 . 52073 1 759 . 1 . 1 61 61 GLN HE21 H 1 6.989 0.000 . . . . . . . 61 Q HE21 . 52073 1 760 . 1 . 1 61 61 GLN HE22 H 1 7.638 0.000 . . . . . . . 61 Q HE22 . 52073 1 761 . 1 . 1 61 61 GLN C C 13 176.718 0.000 . . . . . . . 61 Q C . 52073 1 762 . 1 . 1 61 61 GLN CA C 13 56.650 0.000 . . . . . . . 61 Q CA . 52073 1 763 . 1 . 1 61 61 GLN CB C 13 29.079 0.000 . . . . . . . 61 Q CB . 52073 1 764 . 1 . 1 61 61 GLN CG C 13 34.064 0.000 . . . . . . . 61 Q CG . 52073 1 765 . 1 . 1 61 61 GLN N N 15 119.421 0.000 . . . . . . . 61 Q N . 52073 1 766 . 1 . 1 61 61 GLN NE2 N 15 112.623 0.000 . . . . . . . 61 Q NE2 . 52073 1 767 . 1 . 1 62 62 GLU H H 1 8.751 0.000 . . . . . . . 62 E H . 52073 1 768 . 1 . 1 62 62 GLU HA H 1 4.182 0.000 . . . . . . . 62 E HA . 52073 1 769 . 1 . 1 62 62 GLU HB2 H 1 2.016 0.000 . . . . . . . 62 E HB2 . 52073 1 770 . 1 . 1 62 62 GLU HB3 H 1 2.061 0.000 . . . . . . . 62 E HB3 . 52073 1 771 . 1 . 1 62 62 GLU HG2 H 1 2.318 0.010 . . . . . . . 62 E HG2 . 52073 1 772 . 1 . 1 62 62 GLU HG3 H 1 2.318 0.000 . . . . . . . 62 E HG3 . 52073 1 773 . 1 . 1 62 62 GLU C C 13 177.264 0.000 . . . . . . . 62 E C . 52073 1 774 . 1 . 1 62 62 GLU CA C 13 57.948 0.000 . . . . . . . 62 E CA . 52073 1 775 . 1 . 1 62 62 GLU CB C 13 29.930 0.000 . . . . . . . 62 E CB . 52073 1 776 . 1 . 1 62 62 GLU CG C 13 36.200 0.000 . . . . . . . 62 E CG . 52073 1 777 . 1 . 1 62 62 GLU N N 15 123.148 0.000 . . . . . . . 62 E N . 52073 1 778 . 1 . 1 63 63 GLU H H 1 8.700 0.000 . . . . . . . 63 E H . 52073 1 779 . 1 . 1 63 63 GLU HA H 1 4.167 0.000 . . . . . . . 63 E HA . 52073 1 780 . 1 . 1 63 63 GLU HB2 H 1 1.859 0.000 . . . . . . . 63 E HB2 . 52073 1 781 . 1 . 1 63 63 GLU HB3 H 1 1.859 0.000 . . . . . . . 63 E HB3 . 52073 1 782 . 1 . 1 63 63 GLU HG2 H 1 2.032 0.000 . . . . . . . 63 E HG2 . 52073 1 783 . 1 . 1 63 63 GLU HG3 H 1 2.072 0.000 . . . . . . . 63 E HG3 . 52073 1 784 . 1 . 1 63 63 GLU C C 13 176.326 0.000 . . . . . . . 63 E C . 52073 1 785 . 1 . 1 63 63 GLU CA C 13 57.508 0.000 . . . . . . . 63 E CA . 52073 1 786 . 1 . 1 63 63 GLU CB C 13 29.946 0.000 . . . . . . . 63 E CB . 52073 1 787 . 1 . 1 63 63 GLU CG C 13 35.931 0.000 . . . . . . . 63 E CG . 52073 1 788 . 1 . 1 63 63 GLU N N 15 120.531 0.000 . . . . . . . 63 E N . 52073 1 789 . 1 . 1 64 64 TYR H H 1 8.097 0.000 . . . . . . . 64 Y H . 52073 1 790 . 1 . 1 64 64 TYR HA H 1 4.665 0.010 . . . . . . . 64 Y HA . 52073 1 791 . 1 . 1 64 64 TYR HB2 H 1 2.906 0.000 . . . . . . . 64 Y HB2 . 52073 1 792 . 1 . 1 64 64 TYR HB3 H 1 3.193 0.000 . . . . . . . 64 Y HB3 . 52073 1 793 . 1 . 1 64 64 TYR HD1 H 1 7.106 0.000 . . . . . . . 64 Y QD . 52073 1 794 . 1 . 1 64 64 TYR HD2 H 1 7.106 0.000 . . . . . . . 64 Y QD . 52073 1 795 . 1 . 1 64 64 TYR HE1 H 1 6.799 0.000 . . . . . . . 64 Y QE . 52073 1 796 . 1 . 1 64 64 TYR HE2 H 1 6.799 0.000 . . . . . . . 64 Y QE . 52073 1 797 . 1 . 1 64 64 TYR C C 13 176.039 0.000 . . . . . . . 64 Y C . 52073 1 798 . 1 . 1 64 64 TYR CA C 13 57.950 0.010 . . . . . . . 64 Y CA . 52073 1 799 . 1 . 1 64 64 TYR CB C 13 38.224 0.000 . . . . . . . 64 Y CB . 52073 1 800 . 1 . 1 64 64 TYR CD1 C 13 133.023 0.000 . . . . . . . 64 Y CD1 . 52073 1 801 . 1 . 1 64 64 TYR CD2 C 13 133.023 0.000 . . . . . . . 64 Y CD2 . 52073 1 802 . 1 . 1 64 64 TYR CE1 C 13 118.268 0.000 . . . . . . . 64 Y CE1 . 52073 1 803 . 1 . 1 64 64 TYR CE2 C 13 118.268 0.000 . . . . . . . 64 Y CE2 . 52073 1 804 . 1 . 1 64 64 TYR N N 15 119.921 0.000 . . . . . . . 64 Y N . 52073 1 805 . 1 . 1 65 65 SER H H 1 7.877 0.000 . . . . . . . 65 S H . 52073 1 806 . 1 . 1 65 65 SER HA H 1 4.266 0.000 . . . . . . . 65 S HA . 52073 1 807 . 1 . 1 65 65 SER HB2 H 1 3.844 0.000 . . . . . . . 65 S HB2 . 52073 1 808 . 1 . 1 65 65 SER HB3 H 1 3.986 0.000 . . . . . . . 65 S HB3 . 52073 1 809 . 1 . 1 65 65 SER C C 13 174.978 0.000 . . . . . . . 65 S C . 52073 1 810 . 1 . 1 65 65 SER CA C 13 59.127 0.000 . . . . . . . 65 S CA . 52073 1 811 . 1 . 1 65 65 SER CB C 13 63.793 0.000 . . . . . . . 65 S CB . 52073 1 812 . 1 . 1 65 65 SER N N 15 118.300 0.000 . . . . . . . 65 S N . 52073 1 813 . 1 . 1 66 66 ALA H H 1 8.694 0.000 . . . . . . . 66 A H . 52073 1 814 . 1 . 1 66 66 ALA HA H 1 4.205 0.000 . . . . . . . 66 A HA . 52073 1 815 . 1 . 1 66 66 ALA HB1 H 1 1.467 0.000 . . . . . . . 66 A HB# . 52073 1 816 . 1 . 1 66 66 ALA HB2 H 1 1.467 0.000 . . . . . . . 66 A HB# . 52073 1 817 . 1 . 1 66 66 ALA HB3 H 1 1.467 0.000 . . . . . . . 66 A HB# . 52073 1 818 . 1 . 1 66 66 ALA C C 13 179.995 0.000 . . . . . . . 66 A C . 52073 1 819 . 1 . 1 66 66 ALA CA C 13 54.773 0.000 . . . . . . . 66 A CA . 52073 1 820 . 1 . 1 66 66 ALA CB C 13 18.219 0.000 . . . . . . . 66 A CB . 52073 1 821 . 1 . 1 66 66 ALA N N 15 126.553 0.000 . . . . . . . 66 A N . 52073 1 822 . 1 . 1 67 67 MET H H 1 8.031 0.000 . . . . . . . 67 M H . 52073 1 823 . 1 . 1 67 67 MET HA H 1 4.251 0.000 . . . . . . . 67 M HA . 52073 1 824 . 1 . 1 67 67 MET HB2 H 1 1.947 0.000 . . . . . . . 67 M HB2 . 52073 1 825 . 1 . 1 67 67 MET HB3 H 1 2.021 0.000 . . . . . . . 67 M HB3 . 52073 1 826 . 1 . 1 67 67 MET HG2 H 1 2.435 0.000 . . . . . . . 67 M HG2 . 52073 1 827 . 1 . 1 67 67 MET HG3 H 1 2.528 0.000 . . . . . . . 67 M HG3 . 52073 1 828 . 1 . 1 67 67 MET HE1 H 1 2.065 0.000 . . . . . . . 67 M HE# . 52073 1 829 . 1 . 1 67 67 MET HE2 H 1 2.065 0.000 . . . . . . . 67 M HE# . 52073 1 830 . 1 . 1 67 67 MET HE3 H 1 2.065 0.000 . . . . . . . 67 M HE# . 52073 1 831 . 1 . 1 67 67 MET C C 13 177.107 0.000 . . . . . . . 67 M C . 52073 1 832 . 1 . 1 67 67 MET CA C 13 57.087 0.000 . . . . . . . 67 M CA . 52073 1 833 . 1 . 1 67 67 MET CB C 13 32.147 0.000 . . . . . . . 67 M CB . 52073 1 834 . 1 . 1 67 67 MET CG C 13 32.064 0.000 . . . . . . . 67 M CG . 52073 1 835 . 1 . 1 67 67 MET CE C 13 16.981 0.000 . . . . . . . 67 M CE . 52073 1 836 . 1 . 1 67 67 MET N N 15 117.400 0.000 . . . . . . . 67 M N . 52073 1 837 . 1 . 1 68 68 ARG H H 1 7.807 0.000 . . . . . . . 68 R H . 52073 1 838 . 1 . 1 68 68 ARG HA H 1 3.808 0.000 . . . . . . . 68 R HA . 52073 1 839 . 1 . 1 68 68 ARG HB2 H 1 1.957 0.000 . . . . . . . 68 R HB2 . 52073 1 840 . 1 . 1 68 68 ARG HB3 H 1 1.957 0.010 . . . . . . . 68 R HB3 . 52073 1 841 . 1 . 1 68 68 ARG HG2 H 1 1.687 0.000 . . . . . . . 68 R HG2 . 52073 1 842 . 1 . 1 68 68 ARG HG3 H 1 1.687 0.010 . . . . . . . 68 R HG3 . 52073 1 843 . 1 . 1 68 68 ARG HD2 H 1 3.355 0.000 . . . . . . . 68 R HD2 . 52073 1 844 . 1 . 1 68 68 ARG HD3 H 1 3.355 0.010 . . . . . . . 68 R HD3 . 52073 1 845 . 1 . 1 68 68 ARG HE H 1 7.413 0.000 . . . . . . . 68 R HE . 52073 1 846 . 1 . 1 68 68 ARG C C 13 177.792 0.000 . . . . . . . 68 R C . 52073 1 847 . 1 . 1 68 68 ARG CA C 13 59.381 0.000 . . . . . . . 68 R CA . 52073 1 848 . 1 . 1 68 68 ARG CB C 13 30.010 0.000 . . . . . . . 68 R CB . 52073 1 849 . 1 . 1 68 68 ARG CG C 13 27.590 0.000 . . . . . . . 68 R CG . 52073 1 850 . 1 . 1 68 68 ARG CD C 13 43.690 0.000 . . . . . . . 68 R CD . 52073 1 851 . 1 . 1 68 68 ARG N N 15 120.217 0.000 . . . . . . . 68 R N . 52073 1 852 . 1 . 1 68 68 ARG NE N 15 84.266 0.000 . . . . . . . 68 R NE . 52073 1 853 . 1 . 1 69 69 ASP H H 1 8.136 0.000 . . . . . . . 69 D H . 52073 1 854 . 1 . 1 69 69 ASP HA H 1 4.294 0.000 . . . . . . . 69 D HA . 52073 1 855 . 1 . 1 69 69 ASP HB2 H 1 2.762 0.000 . . . . . . . 69 D HB2 . 52073 1 856 . 1 . 1 69 69 ASP HB3 H 1 2.634 0.000 . . . . . . . 69 D HB3 . 52073 1 857 . 1 . 1 69 69 ASP C C 13 178.017 0.000 . . . . . . . 69 D C . 52073 1 858 . 1 . 1 69 69 ASP CA C 13 57.596 0.000 . . . . . . . 69 D CA . 52073 1 859 . 1 . 1 69 69 ASP CB C 13 40.517 0.000 . . . . . . . 69 D CB . 52073 1 860 . 1 . 1 69 69 ASP N N 15 118.709 0.000 . . . . . . . 69 D N . 52073 1 861 . 1 . 1 70 70 GLN H H 1 7.794 0.000 . . . . . . . 70 Q H . 52073 1 862 . 1 . 1 70 70 GLN HA H 1 4.056 0.000 . . . . . . . 70 Q HA . 52073 1 863 . 1 . 1 70 70 GLN HB2 H 1 2.138 0.000 . . . . . . . 70 Q HB2 . 52073 1 864 . 1 . 1 70 70 GLN HB3 H 1 2.177 0.000 . . . . . . . 70 Q HB3 . 52073 1 865 . 1 . 1 70 70 GLN HG2 H 1 1.445 0.000 . . . . . . . 70 Q HG2 . 52073 1 866 . 1 . 1 70 70 GLN HG3 H 1 2.362 0.000 . . . . . . . 70 Q HG3 . 52073 1 867 . 1 . 1 70 70 GLN HE21 H 1 6.888 0.000 . . . . . . . 70 Q HE21 . 52073 1 868 . 1 . 1 70 70 GLN HE22 H 1 7.449 0.000 . . . . . . . 70 Q HE22 . 52073 1 869 . 1 . 1 70 70 GLN C C 13 178.854 0.000 . . . . . . . 70 Q C . 52073 1 870 . 1 . 1 70 70 GLN CA C 13 59.055 0.000 . . . . . . . 70 Q CA . 52073 1 871 . 1 . 1 70 70 GLN CB C 13 28.185 0.000 . . . . . . . 70 Q CB . 52073 1 872 . 1 . 1 70 70 GLN CG C 13 33.573 0.000 . . . . . . . 70 Q CG . 52073 1 873 . 1 . 1 70 70 GLN N N 15 118.104 0.000 . . . . . . . 70 Q N . 52073 1 874 . 1 . 1 70 70 GLN NE2 N 15 111.963 0.000 . . . . . . . 70 Q NE2 . 52073 1 875 . 1 . 1 71 71 TYR H H 1 8.196 0.000 . . . . . . . 71 Y H . 52073 1 876 . 1 . 1 71 71 TYR HA H 1 4.514 0.000 . . . . . . . 71 Y HA . 52073 1 877 . 1 . 1 71 71 TYR HB2 H 1 2.984 0.000 . . . . . . . 71 Y HB2 . 52073 1 878 . 1 . 1 71 71 TYR HB3 H 1 3.216 0.000 . . . . . . . 71 Y HB3 . 52073 1 879 . 1 . 1 71 71 TYR HD1 H 1 7.018 0.000 . . . . . . . 71 Y QD . 52073 1 880 . 1 . 1 71 71 TYR HD2 H 1 7.018 0.000 . . . . . . . 71 Y QD . 52073 1 881 . 1 . 1 71 71 TYR HE1 H 1 6.815 0.000 . . . . . . . 71 Y QE . 52073 1 882 . 1 . 1 71 71 TYR HE2 H 1 6.815 0.000 . . . . . . . 71 Y QE . 52073 1 883 . 1 . 1 71 71 TYR C C 13 178.665 0.000 . . . . . . . 71 Y C . 52073 1 884 . 1 . 1 71 71 TYR CA C 13 59.021 0.000 . . . . . . . 71 Y CA . 52073 1 885 . 1 . 1 71 71 TYR CB C 13 37.030 0.000 . . . . . . . 71 Y CB . 52073 1 886 . 1 . 1 71 71 TYR CD1 C 13 132.687 0.000 . . . . . . . 71 Y CD1 . 52073 1 887 . 1 . 1 71 71 TYR CD2 C 13 132.687 0.000 . . . . . . . 71 Y CD2 . 52073 1 888 . 1 . 1 71 71 TYR CE1 C 13 118.388 0.000 . . . . . . . 71 Y CE1 . 52073 1 889 . 1 . 1 71 71 TYR CE2 C 13 118.388 0.000 . . . . . . . 71 Y CE2 . 52073 1 890 . 1 . 1 71 71 TYR N N 15 118.956 0.000 . . . . . . . 71 Y N . 52073 1 891 . 1 . 1 72 72 MET H H 1 8.430 0.000 . . . . . . . 72 M H . 52073 1 892 . 1 . 1 72 72 MET HA H 1 4.388 0.000 . . . . . . . 72 M HA . 52073 1 893 . 1 . 1 72 72 MET HB2 H 1 1.928 0.000 . . . . . . . 72 M HB2 . 52073 1 894 . 1 . 1 72 72 MET HB3 H 1 2.364 0.000 . . . . . . . 72 M HB3 . 52073 1 895 . 1 . 1 72 72 MET HG2 H 1 2.463 0.000 . . . . . . . 72 M HG2 . 52073 1 896 . 1 . 1 72 72 MET HG3 H 1 2.974 0.000 . . . . . . . 72 M HG3 . 52073 1 897 . 1 . 1 72 72 MET HE1 H 1 2.055 0.000 . . . . . . . 72 M HE# . 52073 1 898 . 1 . 1 72 72 MET HE2 H 1 2.055 0.000 . . . . . . . 72 M HE# . 52073 1 899 . 1 . 1 72 72 MET HE3 H 1 2.055 0.000 . . . . . . . 72 M HE# . 52073 1 900 . 1 . 1 72 72 MET C C 13 177.035 0.000 . . . . . . . 72 M C . 52073 1 901 . 1 . 1 72 72 MET CA C 13 59.145 0.000 . . . . . . . 72 M CA . 52073 1 902 . 1 . 1 72 72 MET CB C 13 32.743 0.000 . . . . . . . 72 M CB . 52073 1 903 . 1 . 1 72 72 MET CG C 13 33.760 0.000 . . . . . . . 72 M CG . 52073 1 904 . 1 . 1 72 72 MET CE C 13 17.808 0.000 . . . . . . . 72 M CE . 52073 1 905 . 1 . 1 72 72 MET N N 15 118.538 0.000 . . . . . . . 72 M N . 52073 1 906 . 1 . 1 73 73 ARG H H 1 7.992 0.000 . . . . . . . 73 R H . 52073 1 907 . 1 . 1 73 73 ARG HA H 1 3.919 0.000 . . . . . . . 73 R HA . 52073 1 908 . 1 . 1 73 73 ARG HB2 H 1 1.948 0.010 . . . . . . . 73 R HB2 . 52073 1 909 . 1 . 1 73 73 ARG HB3 H 1 1.948 0.000 . . . . . . . 73 R HB3 . 52073 1 910 . 1 . 1 73 73 ARG HG2 H 1 1.689 0.000 . . . . . . . 73 R HG2 . 52073 1 911 . 1 . 1 73 73 ARG HG3 H 1 1.786 0.000 . . . . . . . 73 R HG3 . 52073 1 912 . 1 . 1 73 73 ARG HD2 H 1 3.202 0.000 . . . . . . . 73 R HD2 . 52073 1 913 . 1 . 1 73 73 ARG HD3 H 1 3.279 0.000 . . . . . . . 73 R HD3 . 52073 1 914 . 1 . 1 73 73 ARG HE H 1 7.408 0.000 . . . . . . . 73 R HE . 52073 1 915 . 1 . 1 73 73 ARG C C 13 178.252 0.000 . . . . . . . 73 R C . 52073 1 916 . 1 . 1 73 73 ARG CA C 13 59.713 0.000 . . . . . . . 73 R CA . 52073 1 917 . 1 . 1 73 73 ARG CB C 13 30.558 0.000 . . . . . . . 73 R CB . 52073 1 918 . 1 . 1 73 73 ARG CG C 13 28.710 0.000 . . . . . . . 73 R CG . 52073 1 919 . 1 . 1 73 73 ARG CD C 13 43.446 0.000 . . . . . . . 73 R CD . 52073 1 920 . 1 . 1 73 73 ARG N N 15 116.408 0.000 . . . . . . . 73 R N . 52073 1 921 . 1 . 1 73 73 ARG NE N 15 85.046 0.000 . . . . . . . 73 R NE . 52073 1 922 . 1 . 1 74 74 THR H H 1 7.750 0.000 . . . . . . . 74 T H . 52073 1 923 . 1 . 1 74 74 THR HA H 1 4.223 0.000 . . . . . . . 74 T HA . 52073 1 924 . 1 . 1 74 74 THR HB H 1 4.254 0.000 . . . . . . . 74 T HB . 52073 1 925 . 1 . 1 74 74 THR HG21 H 1 1.275 0.000 . . . . . . . 74 T QG2 . 52073 1 926 . 1 . 1 74 74 THR HG22 H 1 1.275 0.000 . . . . . . . 74 T QG2 . 52073 1 927 . 1 . 1 74 74 THR HG23 H 1 1.275 0.000 . . . . . . . 74 T QG2 . 52073 1 928 . 1 . 1 74 74 THR C C 13 175.718 0.000 . . . . . . . 74 T C . 52073 1 929 . 1 . 1 74 74 THR CA C 13 63.065 0.000 . . . . . . . 74 T CA . 52073 1 930 . 1 . 1 74 74 THR CB C 13 69.873 0.000 . . . . . . . 74 T CB . 52073 1 931 . 1 . 1 74 74 THR CG2 C 13 21.934 0.000 . . . . . . . 74 T CG2 . 52073 1 932 . 1 . 1 74 74 THR N N 15 109.082 0.000 . . . . . . . 74 T N . 52073 1 933 . 1 . 1 75 75 GLY H H 1 7.871 0.000 . . . . . . . 75 G H . 52073 1 934 . 1 . 1 75 75 GLY HA2 H 1 3.513 0.000 . . . . . . . 75 G HA2 . 52073 1 935 . 1 . 1 75 75 GLY HA3 H 1 3.233 0.000 . . . . . . . 75 G HA3 . 52073 1 936 . 1 . 1 75 75 GLY C C 13 172.379 0.000 . . . . . . . 75 G C . 52073 1 937 . 1 . 1 75 75 GLY CA C 13 46.459 0.000 . . . . . . . 75 G CA . 52073 1 938 . 1 . 1 75 75 GLY N N 15 108.187 0.000 . . . . . . . 75 G N . 52073 1 939 . 1 . 1 76 76 GLU H H 1 8.758 0.000 . . . . . . . 76 E H . 52073 1 940 . 1 . 1 76 76 GLU HA H 1 4.512 0.000 . . . . . . . 76 E HA . 52073 1 941 . 1 . 1 76 76 GLU HB2 H 1 2.156 0.000 . . . . . . . 76 E HB2 . 52073 1 942 . 1 . 1 76 76 GLU HB3 H 1 2.370 0.000 . . . . . . . 76 E HB3 . 52073 1 943 . 1 . 1 76 76 GLU HG2 H 1 2.387 0.000 . . . . . . . 76 E HG2 . 52073 1 944 . 1 . 1 76 76 GLU HG3 H 1 2.486 0.000 . . . . . . . 76 E HG3 . 52073 1 945 . 1 . 1 76 76 GLU C C 13 176.455 0.000 . . . . . . . 76 E C . 52073 1 946 . 1 . 1 76 76 GLU CA C 13 56.625 0.000 . . . . . . . 76 E CA . 52073 1 947 . 1 . 1 76 76 GLU CB C 13 32.492 0.000 . . . . . . . 76 E CB . 52073 1 948 . 1 . 1 76 76 GLU CG C 13 38.179 0.000 . . . . . . . 76 E CG . 52073 1 949 . 1 . 1 76 76 GLU N N 15 120.609 0.000 . . . . . . . 76 E N . 52073 1 950 . 1 . 1 77 77 GLY H H 1 7.201 0.000 . . . . . . . 77 G H . 52073 1 951 . 1 . 1 77 77 GLY HA2 H 1 4.918 0.000 . . . . . . . 77 G HA2 . 52073 1 952 . 1 . 1 77 77 GLY HA3 H 1 3.153 0.000 . . . . . . . 77 G HA3 . 52073 1 953 . 1 . 1 77 77 GLY C C 13 170.772 0.000 . . . . . . . 77 G C . 52073 1 954 . 1 . 1 77 77 GLY CA C 13 45.431 0.000 . . . . . . . 77 G CA . 52073 1 955 . 1 . 1 77 77 GLY N N 15 101.159 0.000 . . . . . . . 77 G N . 52073 1 956 . 1 . 1 78 78 PHE H H 1 8.209 0.000 . . . . . . . 78 F H . 52073 1 957 . 1 . 1 78 78 PHE HA H 1 5.415 0.000 . . . . . . . 78 F HA . 52073 1 958 . 1 . 1 78 78 PHE HB2 H 1 2.724 0.000 . . . . . . . 78 F HB2 . 52073 1 959 . 1 . 1 78 78 PHE HB3 H 1 2.746 0.000 . . . . . . . 78 F HB3 . 52073 1 960 . 1 . 1 78 78 PHE HD1 H 1 7.075 0.000 . . . . . . . 78 F QD . 52073 1 961 . 1 . 1 78 78 PHE HD2 H 1 7.075 0.000 . . . . . . . 78 F QD . 52073 1 962 . 1 . 1 78 78 PHE HE1 H 1 7.067 0.000 . . . . . . . 78 F QE . 52073 1 963 . 1 . 1 78 78 PHE HE2 H 1 7.067 0.000 . . . . . . . 78 F QE . 52073 1 964 . 1 . 1 78 78 PHE HZ H 1 7.681 0.000 . . . . . . . 78 F HZ . 52073 1 965 . 1 . 1 78 78 PHE C C 13 173.659 0.000 . . . . . . . 78 F C . 52073 1 966 . 1 . 1 78 78 PHE CA C 13 57.067 0.000 . . . . . . . 78 F CA . 52073 1 967 . 1 . 1 78 78 PHE CB C 13 42.985 0.000 . . . . . . . 78 F CB . 52073 1 968 . 1 . 1 78 78 PHE CD1 C 13 132.553 0.000 . . . . . . . 78 F CD1 . 52073 1 969 . 1 . 1 78 78 PHE CD2 C 13 132.553 0.000 . . . . . . . 78 F CD2 . 52073 1 970 . 1 . 1 78 78 PHE CE1 C 13 130.547 0.000 . . . . . . . 78 F CE1 . 52073 1 971 . 1 . 1 78 78 PHE CE2 C 13 130.547 0.000 . . . . . . . 78 F CE2 . 52073 1 972 . 1 . 1 78 78 PHE CZ C 13 130.054 0.000 . . . . . . . 78 F CZ . 52073 1 973 . 1 . 1 78 78 PHE N N 15 121.248 0.000 . . . . . . . 78 F N . 52073 1 974 . 1 . 1 79 79 LEU H H 1 9.261 0.000 . . . . . . . 79 L H . 52073 1 975 . 1 . 1 79 79 LEU HA H 1 4.666 0.000 . . . . . . . 79 L HA . 52073 1 976 . 1 . 1 79 79 LEU HB2 H 1 1.182 0.000 . . . . . . . 79 L HB2 . 52073 1 977 . 1 . 1 79 79 LEU HB3 H 1 1.620 0.000 . . . . . . . 79 L HB3 . 52073 1 978 . 1 . 1 79 79 LEU HG H 1 1.080 0.000 . . . . . . . 79 L HG . 52073 1 979 . 1 . 1 79 79 LEU HD11 H 1 0.109 0.000 . . . . . . . 79 L QD1 . 52073 1 980 . 1 . 1 79 79 LEU HD12 H 1 0.109 0.000 . . . . . . . 79 L QD1 . 52073 1 981 . 1 . 1 79 79 LEU HD13 H 1 0.109 0.000 . . . . . . . 79 L QD1 . 52073 1 982 . 1 . 1 79 79 LEU HD21 H 1 0.155 0.000 . . . . . . . 79 L QD2 . 52073 1 983 . 1 . 1 79 79 LEU HD22 H 1 0.155 0.000 . . . . . . . 79 L QD2 . 52073 1 984 . 1 . 1 79 79 LEU HD23 H 1 0.155 0.000 . . . . . . . 79 L QD2 . 52073 1 985 . 1 . 1 79 79 LEU C C 13 174.647 0.000 . . . . . . . 79 L C . 52073 1 986 . 1 . 1 79 79 LEU CA C 13 53.944 0.000 . . . . . . . 79 L CA . 52073 1 987 . 1 . 1 79 79 LEU CB C 13 43.102 0.000 . . . . . . . 79 L CB . 52073 1 988 . 1 . 1 79 79 LEU CG C 13 26.983 0.000 . . . . . . . 79 L CG . 52073 1 989 . 1 . 1 79 79 LEU CD1 C 13 25.029 0.000 . . . . . . . 79 L CD1 . 52073 1 990 . 1 . 1 79 79 LEU CD2 C 13 25.621 0.000 . . . . . . . 79 L CD2 . 52073 1 991 . 1 . 1 79 79 LEU N N 15 126.700 0.000 . . . . . . . 79 L N . 52073 1 992 . 1 . 1 80 80 CYS H H 1 8.765 0.000 . . . . . . . 80 C H . 52073 1 993 . 1 . 1 80 80 CYS HA H 1 4.670 0.000 . . . . . . . 80 C HA . 52073 1 994 . 1 . 1 80 80 CYS HB2 H 1 2.661 0.000 . . . . . . . 80 C HB2 . 52073 1 995 . 1 . 1 80 80 CYS HB3 H 1 2.962 0.000 . . . . . . . 80 C HB3 . 52073 1 996 . 1 . 1 80 80 CYS C C 13 172.730 0.000 . . . . . . . 80 C C . 52073 1 997 . 1 . 1 80 80 CYS CA C 13 57.874 0.000 . . . . . . . 80 C CA . 52073 1 998 . 1 . 1 80 80 CYS CB C 13 27.593 0.000 . . . . . . . 80 C CB . 52073 1 999 . 1 . 1 80 80 CYS N N 15 124.670 0.000 . . . . . . . 80 C N . 52073 1 1000 . 1 . 1 81 81 VAL H H 1 9.018 0.000 . . . . . . . 81 V H . 52073 1 1001 . 1 . 1 81 81 VAL HA H 1 4.977 0.000 . . . . . . . 81 V HA . 52073 1 1002 . 1 . 1 81 81 VAL HB H 1 1.807 0.000 . . . . . . . 81 V HB . 52073 1 1003 . 1 . 1 81 81 VAL HG11 H 1 0.666 0.000 . . . . . . . 81 V QG1 . 52073 1 1004 . 1 . 1 81 81 VAL HG12 H 1 0.666 0.000 . . . . . . . 81 V QG1 . 52073 1 1005 . 1 . 1 81 81 VAL HG13 H 1 0.666 0.000 . . . . . . . 81 V QG1 . 52073 1 1006 . 1 . 1 81 81 VAL HG21 H 1 0.552 0.000 . . . . . . . 81 V QG2 . 52073 1 1007 . 1 . 1 81 81 VAL HG22 H 1 0.552 0.000 . . . . . . . 81 V QG2 . 52073 1 1008 . 1 . 1 81 81 VAL HG23 H 1 0.552 0.000 . . . . . . . 81 V QG2 . 52073 1 1009 . 1 . 1 81 81 VAL C C 13 175.235 0.000 . . . . . . . 81 V C . 52073 1 1010 . 1 . 1 81 81 VAL CA C 13 61.338 0.000 . . . . . . . 81 V CA . 52073 1 1011 . 1 . 1 81 81 VAL CB C 13 33.412 0.000 . . . . . . . 81 V CB . 52073 1 1012 . 1 . 1 81 81 VAL CG1 C 13 22.054 0.000 . . . . . . . 81 V CG1 . 52073 1 1013 . 1 . 1 81 81 VAL CG2 C 13 22.775 0.000 . . . . . . . 81 V CG2 . 52073 1 1014 . 1 . 1 81 81 VAL N N 15 126.264 0.000 . . . . . . . 81 V N . 52073 1 1015 . 1 . 1 82 82 PHE H H 1 9.372 0.000 . . . . . . . 82 F H . 52073 1 1016 . 1 . 1 82 82 PHE HA H 1 5.032 0.000 . . . . . . . 82 F HA . 52073 1 1017 . 1 . 1 82 82 PHE HB2 H 1 2.937 0.000 . . . . . . . 82 F HB2 . 52073 1 1018 . 1 . 1 82 82 PHE HB3 H 1 3.685 0.000 . . . . . . . 82 F HB3 . 52073 1 1019 . 1 . 1 82 82 PHE C C 13 171.280 0.000 . . . . . . . 82 F C . 52073 1 1020 . 1 . 1 82 82 PHE CA C 13 55.155 0.000 . . . . . . . 82 F CA . 52073 1 1021 . 1 . 1 82 82 PHE CB C 13 40.664 0.000 . . . . . . . 82 F CB . 52073 1 1022 . 1 . 1 82 82 PHE N N 15 123.866 0.000 . . . . . . . 82 F N . 52073 1 1023 . 1 . 1 83 83 ALA H H 1 8.818 0.000 . . . . . . . 83 A H . 52073 1 1024 . 1 . 1 83 83 ALA HA H 1 5.079 0.000 . . . . . . . 83 A HA . 52073 1 1025 . 1 . 1 83 83 ALA HB1 H 1 1.491 0.000 . . . . . . . 83 A HB# . 52073 1 1026 . 1 . 1 83 83 ALA HB2 H 1 1.491 0.000 . . . . . . . 83 A HB# . 52073 1 1027 . 1 . 1 83 83 ALA HB3 H 1 1.491 0.000 . . . . . . . 83 A HB# . 52073 1 1028 . 1 . 1 83 83 ALA C C 13 179.239 0.000 . . . . . . . 83 A C . 52073 1 1029 . 1 . 1 83 83 ALA CA C 13 49.862 0.000 . . . . . . . 83 A CA . 52073 1 1030 . 1 . 1 83 83 ALA CB C 13 21.805 0.000 . . . . . . . 83 A CB . 52073 1 1031 . 1 . 1 83 83 ALA N N 15 121.614 0.000 . . . . . . . 83 A N . 52073 1 1032 . 1 . 1 84 84 ILE H H 1 8.465 0.000 . . . . . . . 84 I H . 52073 1 1033 . 1 . 1 84 84 ILE HA H 1 4.017 0.000 . . . . . . . 84 I HA . 52073 1 1034 . 1 . 1 84 84 ILE HB H 1 2.293 0.000 . . . . . . . 84 I HB . 52073 1 1035 . 1 . 1 84 84 ILE HG12 H 1 1.026 0.000 . . . . . . . 84 I HG12 . 52073 1 1036 . 1 . 1 84 84 ILE HG13 H 1 1.268 0.000 . . . . . . . 84 I HG13 . 52073 1 1037 . 1 . 1 84 84 ILE HG21 H 1 0.871 0.000 . . . . . . . 84 I QG2 . 52073 1 1038 . 1 . 1 84 84 ILE HG22 H 1 0.871 0.000 . . . . . . . 84 I QG2 . 52073 1 1039 . 1 . 1 84 84 ILE HG23 H 1 0.871 0.000 . . . . . . . 84 I QG2 . 52073 1 1040 . 1 . 1 84 84 ILE HD11 H 1 0.792 0.000 . . . . . . . 84 I QD1 . 52073 1 1041 . 1 . 1 84 84 ILE HD12 H 1 0.792 0.000 . . . . . . . 84 I QD1 . 52073 1 1042 . 1 . 1 84 84 ILE HD13 H 1 0.792 0.000 . . . . . . . 84 I QD1 . 52073 1 1043 . 1 . 1 84 84 ILE C C 13 173.989 0.000 . . . . . . . 84 I C . 52073 1 1044 . 1 . 1 84 84 ILE CA C 13 63.726 0.000 . . . . . . . 84 I CA . 52073 1 1045 . 1 . 1 84 84 ILE CB C 13 38.302 0.000 . . . . . . . 84 I CB . 52073 1 1046 . 1 . 1 84 84 ILE CG1 C 13 26.937 0.000 . . . . . . . 84 I CG1 . 52073 1 1047 . 1 . 1 84 84 ILE CG2 C 13 19.427 0.000 . . . . . . . 84 I CG2 . 52073 1 1048 . 1 . 1 84 84 ILE CD1 C 13 15.456 0.000 . . . . . . . 84 I CD1 . 52073 1 1049 . 1 . 1 84 84 ILE N N 15 113.817 0.000 . . . . . . . 84 I N . 52073 1 1050 . 1 . 1 85 85 ASN H H 1 7.913 0.000 . . . . . . . 85 N H . 52073 1 1051 . 1 . 1 85 85 ASN HA H 1 5.016 0.000 . . . . . . . 85 N HA . 52073 1 1052 . 1 . 1 85 85 ASN HB2 H 1 2.397 0.000 . . . . . . . 85 N HB2 . 52073 1 1053 . 1 . 1 85 85 ASN HB3 H 1 3.306 0.000 . . . . . . . 85 N HB3 . 52073 1 1054 . 1 . 1 85 85 ASN HD21 H 1 6.861 0.000 . . . . . . . 85 N HD21 . 52073 1 1055 . 1 . 1 85 85 ASN HD22 H 1 7.778 0.000 . . . . . . . 85 N HD22 . 52073 1 1056 . 1 . 1 85 85 ASN C C 13 174.640 0.000 . . . . . . . 85 N C . 52073 1 1057 . 1 . 1 85 85 ASN CA C 13 52.244 0.000 . . . . . . . 85 N CA . 52073 1 1058 . 1 . 1 85 85 ASN CB C 13 38.364 0.000 . . . . . . . 85 N CB . 52073 1 1059 . 1 . 1 85 85 ASN N N 15 117.007 0.000 . . . . . . . 85 N N . 52073 1 1060 . 1 . 1 85 85 ASN ND2 N 15 113.306 0.000 . . . . . . . 85 N ND2 . 52073 1 1061 . 1 . 1 86 86 ASN H H 1 7.887 0.000 . . . . . . . 86 N H . 52073 1 1062 . 1 . 1 86 86 ASN HA H 1 5.080 0.000 . . . . . . . 86 N HA . 52073 1 1063 . 1 . 1 86 86 ASN HB2 H 1 2.482 0.000 . . . . . . . 86 N HB2 . 52073 1 1064 . 1 . 1 86 86 ASN HB3 H 1 3.222 0.000 . . . . . . . 86 N HB3 . 52073 1 1065 . 1 . 1 86 86 ASN HD21 H 1 7.196 0.000 . . . . . . . 86 N HD21 . 52073 1 1066 . 1 . 1 86 86 ASN HD22 H 1 8.048 0.000 . . . . . . . 86 N HD22 . 52073 1 1067 . 1 . 1 86 86 ASN C C 13 175.159 0.000 . . . . . . . 86 N C . 52073 1 1068 . 1 . 1 86 86 ASN CA C 13 51.890 0.000 . . . . . . . 86 N CA . 52073 1 1069 . 1 . 1 86 86 ASN CB C 13 39.361 0.000 . . . . . . . 86 N CB . 52073 1 1070 . 1 . 1 86 86 ASN N N 15 119.192 0.000 . . . . . . . 86 N N . 52073 1 1071 . 1 . 1 86 86 ASN ND2 N 15 112.859 0.000 . . . . . . . 86 N ND2 . 52073 1 1072 . 1 . 1 87 87 THR H H 1 9.268 0.000 . . . . . . . 87 T H . 52073 1 1073 . 1 . 1 87 87 THR HA H 1 3.771 0.000 . . . . . . . 87 T HA . 52073 1 1074 . 1 . 1 87 87 THR HB H 1 4.163 0.000 . . . . . . . 87 T HB . 52073 1 1075 . 1 . 1 87 87 THR HG21 H 1 1.313 0.000 . . . . . . . 87 T QG2 . 52073 1 1076 . 1 . 1 87 87 THR HG22 H 1 1.313 0.000 . . . . . . . 87 T QG2 . 52073 1 1077 . 1 . 1 87 87 THR HG23 H 1 1.313 0.000 . . . . . . . 87 T QG2 . 52073 1 1078 . 1 . 1 87 87 THR C C 13 176.153 0.000 . . . . . . . 87 T C . 52073 1 1079 . 1 . 1 87 87 THR CA C 13 66.913 0.000 . . . . . . . 87 T CA . 52073 1 1080 . 1 . 1 87 87 THR CB C 13 68.531 0.000 . . . . . . . 87 T CB . 52073 1 1081 . 1 . 1 87 87 THR CG2 C 13 22.713 0.000 . . . . . . . 87 T CG2 . 52073 1 1082 . 1 . 1 87 87 THR N N 15 124.591 0.000 . . . . . . . 87 T N . 52073 1 1083 . 1 . 1 88 88 LYS H H 1 8.498 0.000 . . . . . . . 88 K H . 52073 1 1084 . 1 . 1 88 88 LYS HA H 1 4.170 0.000 . . . . . . . 88 K HA . 52073 1 1085 . 1 . 1 88 88 LYS HB2 H 1 1.959 0.000 . . . . . . . 88 K HB2 . 52073 1 1086 . 1 . 1 88 88 LYS HB3 H 1 2.050 0.000 . . . . . . . 88 K HB3 . 52073 1 1087 . 1 . 1 88 88 LYS HG2 H 1 1.542 0.010 . . . . . . . 88 K HG2 . 52073 1 1088 . 1 . 1 88 88 LYS HG3 H 1 1.542 0.010 . . . . . . . 88 K HG3 . 52073 1 1089 . 1 . 1 88 88 LYS HD2 H 1 1.683 0.000 . . . . . . . 88 K HD2 . 52073 1 1090 . 1 . 1 88 88 LYS HD3 H 1 1.813 0.000 . . . . . . . 88 K HD3 . 52073 1 1091 . 1 . 1 88 88 LYS HE2 H 1 3.074 0.010 . . . . . . . 88 K HE2 . 52073 1 1092 . 1 . 1 88 88 LYS HE3 H 1 3.074 0.000 . . . . . . . 88 K HE3 . 52073 1 1093 . 1 . 1 88 88 LYS C C 13 178.152 0.000 . . . . . . . 88 K C . 52073 1 1094 . 1 . 1 88 88 LYS CA C 13 59.628 0.000 . . . . . . . 88 K CA . 52073 1 1095 . 1 . 1 88 88 LYS CB C 13 31.463 0.000 . . . . . . . 88 K CB . 52073 1 1096 . 1 . 1 88 88 LYS CG C 13 24.900 0.000 . . . . . . . 88 K CG . 52073 1 1097 . 1 . 1 88 88 LYS CD C 13 28.704 0.000 . . . . . . . 88 K CD . 52073 1 1098 . 1 . 1 88 88 LYS CE C 13 42.450 0.000 . . . . . . . 88 K CE . 52073 1 1099 . 1 . 1 88 88 LYS N N 15 124.282 0.000 . . . . . . . 88 K N . 52073 1 1100 . 1 . 1 89 89 SER H H 1 8.004 0.000 . . . . . . . 89 S H . 52073 1 1101 . 1 . 1 89 89 SER HA H 1 4.212 0.000 . . . . . . . 89 S HA . 52073 1 1102 . 1 . 1 89 89 SER HB2 H 1 4.051 0.000 . . . . . . . 89 S HB2 . 52073 1 1103 . 1 . 1 89 89 SER HB3 H 1 4.485 0.000 . . . . . . . 89 S HB3 . 52073 1 1104 . 1 . 1 89 89 SER C C 13 175.798 0.000 . . . . . . . 89 S C . 52073 1 1105 . 1 . 1 89 89 SER CA C 13 61.649 0.000 . . . . . . . 89 S CA . 52073 1 1106 . 1 . 1 89 89 SER CB C 13 63.864 0.000 . . . . . . . 89 S CB . 52073 1 1107 . 1 . 1 89 89 SER N N 15 114.290 0.000 . . . . . . . 89 S N . 52073 1 1108 . 1 . 1 90 90 PHE H H 1 7.460 0.000 . . . . . . . 90 F H . 52073 1 1109 . 1 . 1 90 90 PHE HA H 1 4.057 0.000 . . . . . . . 90 F HA . 52073 1 1110 . 1 . 1 90 90 PHE HB2 H 1 2.724 0.000 . . . . . . . 90 F HB2 . 52073 1 1111 . 1 . 1 90 90 PHE HB3 H 1 3.270 0.000 . . . . . . . 90 F HB3 . 52073 1 1112 . 1 . 1 90 90 PHE HD1 H 1 5.996 0.000 . . . . . . . 90 F QD . 52073 1 1113 . 1 . 1 90 90 PHE HD2 H 1 5.996 0.000 . . . . . . . 90 F QD . 52073 1 1114 . 1 . 1 90 90 PHE HE1 H 1 6.774 0.000 . . . . . . . 90 F QE . 52073 1 1115 . 1 . 1 90 90 PHE HE2 H 1 6.774 0.000 . . . . . . . 90 F QE . 52073 1 1116 . 1 . 1 90 90 PHE HZ H 1 6.741 0.000 . . . . . . . 90 F HZ . 52073 1 1117 . 1 . 1 90 90 PHE C C 13 177.335 0.000 . . . . . . . 90 F C . 52073 1 1118 . 1 . 1 90 90 PHE CA C 13 59.959 0.000 . . . . . . . 90 F CA . 52073 1 1119 . 1 . 1 90 90 PHE CB C 13 40.269 0.000 . . . . . . . 90 F CB . 52073 1 1120 . 1 . 1 90 90 PHE CD1 C 13 131.546 0.000 . . . . . . . 90 F CD1 . 52073 1 1121 . 1 . 1 90 90 PHE CD2 C 13 131.546 0.000 . . . . . . . 90 F CD2 . 52073 1 1122 . 1 . 1 90 90 PHE CE1 C 13 130.421 0.000 . . . . . . . 90 F CE1 . 52073 1 1123 . 1 . 1 90 90 PHE CE2 C 13 130.421 0.000 . . . . . . . 90 F CE2 . 52073 1 1124 . 1 . 1 90 90 PHE CZ C 13 128.921 0.000 . . . . . . . 90 F CZ . 52073 1 1125 . 1 . 1 90 90 PHE N N 15 124.797 0.000 . . . . . . . 90 F N . 52073 1 1126 . 1 . 1 91 91 GLU H H 1 8.464 0.000 . . . . . . . 91 E H . 52073 1 1127 . 1 . 1 91 91 GLU HA H 1 3.808 0.000 . . . . . . . 91 E HA . 52073 1 1128 . 1 . 1 91 91 GLU HB2 H 1 2.266 0.000 . . . . . . . 91 E HB2 . 52073 1 1129 . 1 . 1 91 91 GLU HB3 H 1 2.118 0.000 . . . . . . . 91 E HB3 . 52073 1 1130 . 1 . 1 91 91 GLU HG2 H 1 2.306 0.000 . . . . . . . 91 E HG2 . 52073 1 1131 . 1 . 1 91 91 GLU HG3 H 1 2.545 0.000 . . . . . . . 91 E HG3 . 52073 1 1132 . 1 . 1 91 91 GLU C C 13 179.389 0.000 . . . . . . . 91 E C . 52073 1 1133 . 1 . 1 91 91 GLU CA C 13 59.127 0.000 . . . . . . . 91 E CA . 52073 1 1134 . 1 . 1 91 91 GLU CB C 13 29.124 0.000 . . . . . . . 91 E CB . 52073 1 1135 . 1 . 1 91 91 GLU CG C 13 36.578 0.000 . . . . . . . 91 E CG . 52073 1 1136 . 1 . 1 91 91 GLU N N 15 121.813 0.000 . . . . . . . 91 E N . 52073 1 1137 . 1 . 1 92 92 ASP H H 1 8.499 0.000 . . . . . . . 92 D H . 52073 1 1138 . 1 . 1 92 92 ASP HA H 1 4.539 0.000 . . . . . . . 92 D HA . 52073 1 1139 . 1 . 1 92 92 ASP HB2 H 1 2.877 0.000 . . . . . . . 92 D HB2 . 52073 1 1140 . 1 . 1 92 92 ASP HB3 H 1 2.877 0.000 . . . . . . . 92 D HB3 . 52073 1 1141 . 1 . 1 92 92 ASP C C 13 177.883 0.000 . . . . . . . 92 D C . 52073 1 1142 . 1 . 1 92 92 ASP CA C 13 56.011 0.000 . . . . . . . 92 D CA . 52073 1 1143 . 1 . 1 92 92 ASP CB C 13 41.263 0.000 . . . . . . . 92 D CB . 52073 1 1144 . 1 . 1 92 92 ASP N N 15 116.842 0.000 . . . . . . . 92 D N . 52073 1 1145 . 1 . 1 93 93 ILE H H 1 7.653 0.000 . . . . . . . 93 I H . 52073 1 1146 . 1 . 1 93 93 ILE HA H 1 3.939 0.000 . . . . . . . 93 I HA . 52073 1 1147 . 1 . 1 93 93 ILE HB H 1 2.222 0.000 . . . . . . . 93 I HB . 52073 1 1148 . 1 . 1 93 93 ILE HG12 H 1 1.387 0.000 . . . . . . . 93 I HG12 . 52073 1 1149 . 1 . 1 93 93 ILE HG13 H 1 2.250 0.000 . . . . . . . 93 I HG13 . 52073 1 1150 . 1 . 1 93 93 ILE HG21 H 1 0.924 0.000 . . . . . . . 93 I QG2 . 52073 1 1151 . 1 . 1 93 93 ILE HG22 H 1 0.924 0.000 . . . . . . . 93 I QG2 . 52073 1 1152 . 1 . 1 93 93 ILE HG23 H 1 0.924 0.000 . . . . . . . 93 I QG2 . 52073 1 1153 . 1 . 1 93 93 ILE HD11 H 1 0.810 0.000 . . . . . . . 93 I QD1 . 52073 1 1154 . 1 . 1 93 93 ILE HD12 H 1 0.810 0.000 . . . . . . . 93 I QD1 . 52073 1 1155 . 1 . 1 93 93 ILE HD13 H 1 0.810 0.000 . . . . . . . 93 I QD1 . 52073 1 1156 . 1 . 1 93 93 ILE C C 13 177.848 0.000 . . . . . . . 93 I C . 52073 1 1157 . 1 . 1 93 93 ILE CA C 13 62.769 0.000 . . . . . . . 93 I CA . 52073 1 1158 . 1 . 1 93 93 ILE CB C 13 34.551 0.000 . . . . . . . 93 I CB . 52073 1 1159 . 1 . 1 93 93 ILE CG1 C 13 26.620 0.000 . . . . . . . 93 I CG1 . 52073 1 1160 . 1 . 1 93 93 ILE CG2 C 13 17.358 0.000 . . . . . . . 93 I CG2 . 52073 1 1161 . 1 . 1 93 93 ILE CD1 C 13 9.377 0.000 . . . . . . . 93 I CD1 . 52073 1 1162 . 1 . 1 93 93 ILE N N 15 121.147 0.000 . . . . . . . 93 I N . 52073 1 1163 . 1 . 1 94 94 HIS H H 1 8.056 0.000 . . . . . . . 94 H H . 52073 1 1164 . 1 . 1 94 94 HIS HA H 1 4.278 0.000 . . . . . . . 94 H HA . 52073 1 1165 . 1 . 1 94 94 HIS HB2 H 1 3.229 0.000 . . . . . . . 94 H HB2 . 52073 1 1166 . 1 . 1 94 94 HIS HB3 H 1 3.090 0.000 . . . . . . . 94 H HB3 . 52073 1 1167 . 1 . 1 94 94 HIS HD2 H 1 7.172 0.000 . . . . . . . 94 H HD2 . 52073 1 1168 . 1 . 1 94 94 HIS HE1 H 1 8.084 0.000 . . . . . . . 94 H HE1 . 52073 1 1169 . 1 . 1 94 94 HIS C C 13 176.953 0.000 . . . . . . . 94 H C . 52073 1 1170 . 1 . 1 94 94 HIS CA C 13 59.590 0.000 . . . . . . . 94 H CA . 52073 1 1171 . 1 . 1 94 94 HIS CB C 13 29.317 0.000 . . . . . . . 94 H CB . 52073 1 1172 . 1 . 1 94 94 HIS CD2 C 13 119.986 0.000 . . . . . . . 94 H CD2 . 52073 1 1173 . 1 . 1 94 94 HIS CE1 C 13 137.744 0.000 . . . . . . . 94 H CE1 . 52073 1 1174 . 1 . 1 94 94 HIS N N 15 116.219 0.000 . . . . . . . 94 H N . 52073 1 1175 . 1 . 1 95 95 HIS H H 1 7.322 0.000 . . . . . . . 95 H H . 52073 1 1176 . 1 . 1 95 95 HIS HA H 1 4.296 0.000 . . . . . . . 95 H HA . 52073 1 1177 . 1 . 1 95 95 HIS HB2 H 1 3.051 0.000 . . . . . . . 95 H HB2 . 52073 1 1178 . 1 . 1 95 95 HIS HB3 H 1 3.051 0.000 . . . . . . . 95 H HB3 . 52073 1 1179 . 1 . 1 95 95 HIS HD2 H 1 6.492 0.000 . . . . . . . 95 H HD2 . 52073 1 1180 . 1 . 1 95 95 HIS HE1 H 1 8.173 0.000 . . . . . . . 95 H HE1 . 52073 1 1181 . 1 . 1 95 95 HIS C C 13 177.642 0.000 . . . . . . . 95 H C . 52073 1 1182 . 1 . 1 95 95 HIS CA C 13 58.175 0.000 . . . . . . . 95 H CA . 52073 1 1183 . 1 . 1 95 95 HIS CB C 13 28.384 0.000 . . . . . . . 95 H CB . 52073 1 1184 . 1 . 1 95 95 HIS CD2 C 13 119.532 0.000 . . . . . . . 95 H CD2 . 52073 1 1185 . 1 . 1 95 95 HIS CE1 C 13 137.558 0.000 . . . . . . . 95 H CE1 . 52073 1 1186 . 1 . 1 95 95 HIS N N 15 117.137 0.000 . . . . . . . 95 H N . 52073 1 1187 . 1 . 1 96 96 TYR H H 1 7.662 0.000 . . . . . . . 96 Y H . 52073 1 1188 . 1 . 1 96 96 TYR HA H 1 3.981 0.000 . . . . . . . 96 Y HA . 52073 1 1189 . 1 . 1 96 96 TYR HB2 H 1 2.881 0.000 . . . . . . . 96 Y HB2 . 52073 1 1190 . 1 . 1 96 96 TYR HB3 H 1 2.881 0.000 . . . . . . . 96 Y HB3 . 52073 1 1191 . 1 . 1 96 96 TYR HE1 H 1 6.877 0.000 . . . . . . . 96 Y QE . 52073 1 1192 . 1 . 1 96 96 TYR HE2 H 1 6.877 0.000 . . . . . . . 96 Y QE . 52073 1 1193 . 1 . 1 96 96 TYR C C 13 177.508 0.000 . . . . . . . 96 Y C . 52073 1 1194 . 1 . 1 96 96 TYR CA C 13 63.093 0.000 . . . . . . . 96 Y CA . 52073 1 1195 . 1 . 1 96 96 TYR CB C 13 37.880 0.000 . . . . . . . 96 Y CB . 52073 1 1196 . 1 . 1 96 96 TYR CE1 C 13 118.517 0.000 . . . . . . . 96 Y CE1 . 52073 1 1197 . 1 . 1 96 96 TYR CE2 C 13 118.517 0.000 . . . . . . . 96 Y CE2 . 52073 1 1198 . 1 . 1 96 96 TYR N N 15 118.881 0.000 . . . . . . . 96 Y N . 52073 1 1199 . 1 . 1 97 97 ARG H H 1 8.416 0.000 . . . . . . . 97 R H . 52073 1 1200 . 1 . 1 97 97 ARG HA H 1 3.600 0.000 . . . . . . . 97 R HA . 52073 1 1201 . 1 . 1 97 97 ARG HB2 H 1 1.374 0.000 . . . . . . . 97 R HB2 . 52073 1 1202 . 1 . 1 97 97 ARG HB3 H 1 1.767 0.000 . . . . . . . 97 R HB3 . 52073 1 1203 . 1 . 1 97 97 ARG HG2 H 1 1.093 0.000 . . . . . . . 97 R HG2 . 52073 1 1204 . 1 . 1 97 97 ARG HG3 H 1 1.137 0.000 . . . . . . . 97 R HG3 . 52073 1 1205 . 1 . 1 97 97 ARG HD2 H 1 2.012 0.000 . . . . . . . 97 R HD2 . 52073 1 1206 . 1 . 1 97 97 ARG HD3 H 1 2.215 0.000 . . . . . . . 97 R HD3 . 52073 1 1207 . 1 . 1 97 97 ARG C C 13 177.450 0.000 . . . . . . . 97 R C . 52073 1 1208 . 1 . 1 97 97 ARG CA C 13 60.007 0.000 . . . . . . . 97 R CA . 52073 1 1209 . 1 . 1 97 97 ARG CB C 13 28.979 0.000 . . . . . . . 97 R CB . 52073 1 1210 . 1 . 1 97 97 ARG CG C 13 27.736 0.000 . . . . . . . 97 R CG . 52073 1 1211 . 1 . 1 97 97 ARG CD C 13 42.886 0.000 . . . . . . . 97 R CD . 52073 1 1212 . 1 . 1 97 97 ARG N N 15 118.370 0.000 . . . . . . . 97 R N . 52073 1 1213 . 1 . 1 98 98 GLU H H 1 7.819 0.000 . . . . . . . 98 E H . 52073 1 1214 . 1 . 1 98 98 GLU HA H 1 3.803 0.000 . . . . . . . 98 E HA . 52073 1 1215 . 1 . 1 98 98 GLU HB2 H 1 2.002 0.000 . . . . . . . 98 E HB2 . 52073 1 1216 . 1 . 1 98 98 GLU HB3 H 1 2.002 0.000 . . . . . . . 98 E HB3 . 52073 1 1217 . 1 . 1 98 98 GLU HG2 H 1 2.163 0.000 . . . . . . . 98 E HG2 . 52073 1 1218 . 1 . 1 98 98 GLU HG3 H 1 2.214 0.000 . . . . . . . 98 E HG3 . 52073 1 1219 . 1 . 1 98 98 GLU C C 13 178.875 0.000 . . . . . . . 98 E C . 52073 1 1220 . 1 . 1 98 98 GLU CA C 13 59.065 0.000 . . . . . . . 98 E CA . 52073 1 1221 . 1 . 1 98 98 GLU CB C 13 29.150 0.000 . . . . . . . 98 E CB . 52073 1 1222 . 1 . 1 98 98 GLU CG C 13 36.169 0.000 . . . . . . . 98 E CG . 52073 1 1223 . 1 . 1 98 98 GLU N N 15 117.085 0.000 . . . . . . . 98 E N . 52073 1 1224 . 1 . 1 99 99 GLN H H 1 7.871 0.000 . . . . . . . 99 Q H . 52073 1 1225 . 1 . 1 99 99 GLN HA H 1 3.903 0.000 . . . . . . . 99 Q HA . 52073 1 1226 . 1 . 1 99 99 GLN HB2 H 1 2.004 0.000 . . . . . . . 99 Q HB2 . 52073 1 1227 . 1 . 1 99 99 GLN HB3 H 1 2.020 0.000 . . . . . . . 99 Q HB3 . 52073 1 1228 . 1 . 1 99 99 GLN HG2 H 1 2.163 0.000 . . . . . . . 99 Q HG2 . 52073 1 1229 . 1 . 1 99 99 GLN HG3 H 1 2.279 0.000 . . . . . . . 99 Q HG3 . 52073 1 1230 . 1 . 1 99 99 GLN HE21 H 1 7.213 0.000 . . . . . . . 99 Q HE21 . 52073 1 1231 . 1 . 1 99 99 GLN HE22 H 1 6.670 0.000 . . . . . . . 99 Q HE22 . 52073 1 1232 . 1 . 1 99 99 GLN C C 13 177.704 0.000 . . . . . . . 99 Q C . 52073 1 1233 . 1 . 1 99 99 GLN CA C 13 58.959 0.000 . . . . . . . 99 Q CA . 52073 1 1234 . 1 . 1 99 99 GLN CB C 13 28.561 0.000 . . . . . . . 99 Q CB . 52073 1 1235 . 1 . 1 99 99 GLN CG C 13 33.453 0.000 . . . . . . . 99 Q CG . 52073 1 1236 . 1 . 1 99 99 GLN N N 15 119.800 0.000 . . . . . . . 99 Q N . 52073 1 1237 . 1 . 1 99 99 GLN NE2 N 15 110.727 0.000 . . . . . . . 99 Q NE2 . 52073 1 1238 . 1 . 1 100 100 ILE H H 1 7.989 0.000 . . . . . . . 100 I H . 52073 1 1239 . 1 . 1 100 100 ILE HA H 1 3.159 0.000 . . . . . . . 100 I HA . 52073 1 1240 . 1 . 1 100 100 ILE HB H 1 1.382 0.000 . . . . . . . 100 I HB . 52073 1 1241 . 1 . 1 100 100 ILE HG12 H 1 1.579 0.000 . . . . . . . 100 I HG12 . 52073 1 1242 . 1 . 1 100 100 ILE HG13 H 1 -0.110 0.000 . . . . . . . 100 I HG13 . 52073 1 1243 . 1 . 1 100 100 ILE HG21 H 1 -0.043 0.000 . . . . . . . 100 I QG2 . 52073 1 1244 . 1 . 1 100 100 ILE HG22 H 1 -0.043 0.000 . . . . . . . 100 I QG2 . 52073 1 1245 . 1 . 1 100 100 ILE HG23 H 1 -0.043 0.000 . . . . . . . 100 I QG2 . 52073 1 1246 . 1 . 1 100 100 ILE HD11 H 1 0.356 0.000 . . . . . . . 100 I QD1 . 52073 1 1247 . 1 . 1 100 100 ILE HD12 H 1 0.356 0.000 . . . . . . . 100 I QD1 . 52073 1 1248 . 1 . 1 100 100 ILE HD13 H 1 0.356 0.000 . . . . . . . 100 I QD1 . 52073 1 1249 . 1 . 1 100 100 ILE C C 13 177.139 0.000 . . . . . . . 100 I C . 52073 1 1250 . 1 . 1 100 100 ILE CA C 13 65.623 0.000 . . . . . . . 100 I CA . 52073 1 1251 . 1 . 1 100 100 ILE CB C 13 37.984 0.000 . . . . . . . 100 I CB . 52073 1 1252 . 1 . 1 100 100 ILE CG1 C 13 29.695 0.000 . . . . . . . 100 I CG1 . 52073 1 1253 . 1 . 1 100 100 ILE CG2 C 13 18.057 0.000 . . . . . . . 100 I CG2 . 52073 1 1254 . 1 . 1 100 100 ILE CD1 C 13 15.622 0.000 . . . . . . . 100 I CD1 . 52073 1 1255 . 1 . 1 100 100 ILE N N 15 119.873 0.000 . . . . . . . 100 I N . 52073 1 1256 . 1 . 1 101 101 LYS H H 1 7.752 0.000 . . . . . . . 101 K H . 52073 1 1257 . 1 . 1 101 101 LYS HA H 1 3.922 0.000 . . . . . . . 101 K HA . 52073 1 1258 . 1 . 1 101 101 LYS HB2 H 1 1.682 0.000 . . . . . . . 101 K HB2 . 52073 1 1259 . 1 . 1 101 101 LYS HB3 H 1 1.762 0.000 . . . . . . . 101 K HB3 . 52073 1 1260 . 1 . 1 101 101 LYS HG2 H 1 1.355 0.000 . . . . . . . 101 K HG2 . 52073 1 1261 . 1 . 1 101 101 LYS HG3 H 1 1.355 0.010 . . . . . . . 101 K HG3 . 52073 1 1262 . 1 . 1 101 101 LYS HD2 H 1 1.518 0.000 . . . . . . . 101 K HD2 . 52073 1 1263 . 1 . 1 101 101 LYS HD3 H 1 1.540 0.000 . . . . . . . 101 K HD3 . 52073 1 1264 . 1 . 1 101 101 LYS HE2 H 1 2.827 0.000 . . . . . . . 101 K HE2 . 52073 1 1265 . 1 . 1 101 101 LYS HE3 H 1 2.827 0.000 . . . . . . . 101 K HE3 . 52073 1 1266 . 1 . 1 101 101 LYS C C 13 179.342 0.000 . . . . . . . 101 K C . 52073 1 1267 . 1 . 1 101 101 LYS CA C 13 59.791 0.000 . . . . . . . 101 K CA . 52073 1 1268 . 1 . 1 101 101 LYS CB C 13 32.312 0.000 . . . . . . . 101 K CB . 52073 1 1269 . 1 . 1 101 101 LYS CG C 13 25.030 0.000 . . . . . . . 101 K CG . 52073 1 1270 . 1 . 1 101 101 LYS CD C 13 29.826 0.000 . . . . . . . 101 K CD . 52073 1 1271 . 1 . 1 101 101 LYS CE C 13 41.660 0.000 . . . . . . . 101 K CE . 52073 1 1272 . 1 . 1 101 101 LYS N N 15 117.329 0.000 . . . . . . . 101 K N . 52073 1 1273 . 1 . 1 102 102 ARG H H 1 7.724 0.000 . . . . . . . 102 R H . 52073 1 1274 . 1 . 1 102 102 ARG HA H 1 4.086 0.000 . . . . . . . 102 R HA . 52073 1 1275 . 1 . 1 102 102 ARG HB2 H 1 1.880 0.000 . . . . . . . 102 R HB2 . 52073 1 1276 . 1 . 1 102 102 ARG HB3 H 1 1.940 0.000 . . . . . . . 102 R HB3 . 52073 1 1277 . 1 . 1 102 102 ARG HG2 H 1 1.545 0.000 . . . . . . . 102 R HG2 . 52073 1 1278 . 1 . 1 102 102 ARG HG3 H 1 1.666 0.000 . . . . . . . 102 R HG3 . 52073 1 1279 . 1 . 1 102 102 ARG HD2 H 1 3.176 0.000 . . . . . . . 102 R HD2 . 52073 1 1280 . 1 . 1 102 102 ARG HD3 H 1 3.235 0.000 . . . . . . . 102 R HD3 . 52073 1 1281 . 1 . 1 102 102 ARG HE H 1 7.307 0.000 . . . . . . . 102 R HE . 52073 1 1282 . 1 . 1 102 102 ARG C C 13 179.488 0.000 . . . . . . . 102 R C . 52073 1 1283 . 1 . 1 102 102 ARG CA C 13 59.012 0.000 . . . . . . . 102 R CA . 52073 1 1284 . 1 . 1 102 102 ARG CB C 13 30.062 0.000 . . . . . . . 102 R CB . 52073 1 1285 . 1 . 1 102 102 ARG CG C 13 27.129 0.000 . . . . . . . 102 R CG . 52073 1 1286 . 1 . 1 102 102 ARG CD C 13 43.275 0.000 . . . . . . . 102 R CD . 52073 1 1287 . 1 . 1 102 102 ARG N N 15 117.831 0.000 . . . . . . . 102 R N . 52073 1 1288 . 1 . 1 102 102 ARG NE N 15 83.449 0.000 . . . . . . . 102 R NE . 52073 1 1289 . 1 . 1 103 103 VAL H H 1 8.228 0.000 . . . . . . . 103 V H . 52073 1 1290 . 1 . 1 103 103 VAL HA H 1 3.836 0.000 . . . . . . . 103 V HA . 52073 1 1291 . 1 . 1 103 103 VAL HB H 1 2.044 0.000 . . . . . . . 103 V HB . 52073 1 1292 . 1 . 1 103 103 VAL HG11 H 1 0.939 0.000 . . . . . . . 103 V QG1 . 52073 1 1293 . 1 . 1 103 103 VAL HG12 H 1 0.939 0.000 . . . . . . . 103 V QG1 . 52073 1 1294 . 1 . 1 103 103 VAL HG13 H 1 0.939 0.000 . . . . . . . 103 V QG1 . 52073 1 1295 . 1 . 1 103 103 VAL HG21 H 1 1.040 0.000 . . . . . . . 103 V QG2 . 52073 1 1296 . 1 . 1 103 103 VAL HG22 H 1 1.040 0.000 . . . . . . . 103 V QG2 . 52073 1 1297 . 1 . 1 103 103 VAL HG23 H 1 1.040 0.000 . . . . . . . 103 V QG2 . 52073 1 1298 . 1 . 1 103 103 VAL C C 13 177.839 0.000 . . . . . . . 103 V C . 52073 1 1299 . 1 . 1 103 103 VAL CA C 13 65.379 0.000 . . . . . . . 103 V CA . 52073 1 1300 . 1 . 1 103 103 VAL CB C 13 31.763 0.000 . . . . . . . 103 V CB . 52073 1 1301 . 1 . 1 103 103 VAL CG1 C 13 21.649 0.000 . . . . . . . 103 V CG1 . 52073 1 1302 . 1 . 1 103 103 VAL CG2 C 13 22.383 0.000 . . . . . . . 103 V CG2 . 52073 1 1303 . 1 . 1 103 103 VAL N N 15 118.159 0.000 . . . . . . . 103 V N . 52073 1 1304 . 1 . 1 104 104 LYS H H 1 8.068 0.000 . . . . . . . 104 K H . 52073 1 1305 . 1 . 1 104 104 LYS HA H 1 4.274 0.000 . . . . . . . 104 K HA . 52073 1 1306 . 1 . 1 104 104 LYS HB2 H 1 1.843 0.010 . . . . . . . 104 K HB2 . 52073 1 1307 . 1 . 1 104 104 LYS HB3 H 1 1.843 0.000 . . . . . . . 104 K HB3 . 52073 1 1308 . 1 . 1 104 104 LYS HG2 H 1 1.422 0.000 . . . . . . . 104 K HG2 . 52073 1 1309 . 1 . 1 104 104 LYS HG3 H 1 1.588 0.000 . . . . . . . 104 K HG3 . 52073 1 1310 . 1 . 1 104 104 LYS HD2 H 1 1.828 0.000 . . . . . . . 104 K HD2 . 52073 1 1311 . 1 . 1 104 104 LYS HD3 H 1 1.909 0.000 . . . . . . . 104 K HD3 . 52073 1 1312 . 1 . 1 104 104 LYS HE2 H 1 3.229 0.000 . . . . . . . 104 K HE2 . 52073 1 1313 . 1 . 1 104 104 LYS HE3 H 1 3.258 0.000 . . . . . . . 104 K HE3 . 52073 1 1314 . 1 . 1 104 104 LYS C C 13 175.931 0.000 . . . . . . . 104 K C . 52073 1 1315 . 1 . 1 104 104 LYS CA C 13 54.802 0.000 . . . . . . . 104 K CA . 52073 1 1316 . 1 . 1 104 104 LYS CB C 13 30.850 0.000 . . . . . . . 104 K CB . 52073 1 1317 . 1 . 1 104 104 LYS CG C 13 24.215 0.000 . . . . . . . 104 K CG . 52073 1 1318 . 1 . 1 104 104 LYS CD C 13 27.692 0.000 . . . . . . . 104 K CD . 52073 1 1319 . 1 . 1 104 104 LYS CE C 13 42.074 0.000 . . . . . . . 104 K CE . 52073 1 1320 . 1 . 1 104 104 LYS N N 15 116.212 0.000 . . . . . . . 104 K N . 52073 1 1321 . 1 . 1 105 105 ASP H H 1 7.956 0.000 . . . . . . . 105 D H . 52073 1 1322 . 1 . 1 105 105 ASP HA H 1 4.321 0.000 . . . . . . . 105 D HA . 52073 1 1323 . 1 . 1 105 105 ASP HB2 H 1 2.351 0.000 . . . . . . . 105 D HB2 . 52073 1 1324 . 1 . 1 105 105 ASP HB3 H 1 3.112 0.000 . . . . . . . 105 D HB3 . 52073 1 1325 . 1 . 1 105 105 ASP C C 13 174.597 0.000 . . . . . . . 105 D C . 52073 1 1326 . 1 . 1 105 105 ASP CA C 13 54.604 0.000 . . . . . . . 105 D CA . 52073 1 1327 . 1 . 1 105 105 ASP CB C 13 39.828 0.000 . . . . . . . 105 D CB . 52073 1 1328 . 1 . 1 105 105 ASP N N 15 120.884 0.000 . . . . . . . 105 D N . 52073 1 1329 . 1 . 1 106 106 SER H H 1 7.578 0.000 . . . . . . . 106 S H . 52073 1 1330 . 1 . 1 106 106 SER HA H 1 4.548 0.000 . . . . . . . 106 S HA . 52073 1 1331 . 1 . 1 106 106 SER HB2 H 1 3.231 0.000 . . . . . . . 106 S HB2 . 52073 1 1332 . 1 . 1 106 106 SER HB3 H 1 3.794 0.000 . . . . . . . 106 S HB3 . 52073 1 1333 . 1 . 1 106 106 SER C C 13 173.337 0.000 . . . . . . . 106 S C . 52073 1 1334 . 1 . 1 106 106 SER CA C 13 57.077 0.000 . . . . . . . 106 S CA . 52073 1 1335 . 1 . 1 106 106 SER CB C 13 65.147 0.000 . . . . . . . 106 S CB . 52073 1 1336 . 1 . 1 106 106 SER N N 15 109.135 0.000 . . . . . . . 106 S N . 52073 1 1337 . 1 . 1 107 107 GLU H H 1 8.444 0.000 . . . . . . . 107 E H . 52073 1 1338 . 1 . 1 107 107 GLU HA H 1 4.272 0.000 . . . . . . . 107 E HA . 52073 1 1339 . 1 . 1 107 107 GLU HB2 H 1 1.896 0.000 . . . . . . . 107 E HB2 . 52073 1 1340 . 1 . 1 107 107 GLU HB3 H 1 2.167 0.000 . . . . . . . 107 E HB3 . 52073 1 1341 . 1 . 1 107 107 GLU HG2 H 1 2.208 0.000 . . . . . . . 107 E HG2 . 52073 1 1342 . 1 . 1 107 107 GLU HG3 H 1 2.324 0.000 . . . . . . . 107 E HG3 . 52073 1 1343 . 1 . 1 107 107 GLU C C 13 176.186 0.000 . . . . . . . 107 E C . 52073 1 1344 . 1 . 1 107 107 GLU CA C 13 56.431 0.000 . . . . . . . 107 E CA . 52073 1 1345 . 1 . 1 107 107 GLU CB C 13 30.521 0.000 . . . . . . . 107 E CB . 52073 1 1346 . 1 . 1 107 107 GLU CG C 13 36.230 0.000 . . . . . . . 107 E CG . 52073 1 1347 . 1 . 1 107 107 GLU N N 15 121.340 0.000 . . . . . . . 107 E N . 52073 1 1348 . 1 . 1 108 108 ASP H H 1 8.435 0.000 . . . . . . . 108 D H . 52073 1 1349 . 1 . 1 108 108 ASP HA H 1 4.862 0.000 . . . . . . . 108 D HA . 52073 1 1350 . 1 . 1 108 108 ASP HB2 H 1 2.537 0.000 . . . . . . . 108 D HB2 . 52073 1 1351 . 1 . 1 108 108 ASP HB3 H 1 2.757 0.000 . . . . . . . 108 D HB3 . 52073 1 1352 . 1 . 1 108 108 ASP C C 13 174.175 0.000 . . . . . . . 108 D C . 52073 1 1353 . 1 . 1 108 108 ASP CA C 13 53.062 0.000 . . . . . . . 108 D CA . 52073 1 1354 . 1 . 1 108 108 ASP CB C 13 41.163 0.000 . . . . . . . 108 D CB . 52073 1 1355 . 1 . 1 108 108 ASP N N 15 121.163 0.000 . . . . . . . 108 D N . 52073 1 1356 . 1 . 1 109 109 VAL H H 1 7.625 0.000 . . . . . . . 109 V H . 52073 1 1357 . 1 . 1 109 109 VAL HA H 1 4.267 0.000 . . . . . . . 109 V HA . 52073 1 1358 . 1 . 1 109 109 VAL HB H 1 1.698 0.000 . . . . . . . 109 V HB . 52073 1 1359 . 1 . 1 109 109 VAL HG11 H 1 0.954 0.000 . . . . . . . 109 V QG1 . 52073 1 1360 . 1 . 1 109 109 VAL HG12 H 1 0.954 0.000 . . . . . . . 109 V QG1 . 52073 1 1361 . 1 . 1 109 109 VAL HG13 H 1 0.954 0.000 . . . . . . . 109 V QG1 . 52073 1 1362 . 1 . 1 109 109 VAL HG21 H 1 0.739 0.000 . . . . . . . 109 V QG2 . 52073 1 1363 . 1 . 1 109 109 VAL HG22 H 1 0.739 0.000 . . . . . . . 109 V QG2 . 52073 1 1364 . 1 . 1 109 109 VAL HG23 H 1 0.739 0.000 . . . . . . . 109 V QG2 . 52073 1 1365 . 1 . 1 109 109 VAL C C 13 176.054 0.000 . . . . . . . 109 V C . 52073 1 1366 . 1 . 1 109 109 VAL CA C 13 58.944 0.000 . . . . . . . 109 V CA . 52073 1 1367 . 1 . 1 109 109 VAL CB C 13 34.846 0.000 . . . . . . . 109 V CB . 52073 1 1368 . 1 . 1 109 109 VAL CG1 C 13 21.198 0.000 . . . . . . . 109 V CG1 . 52073 1 1369 . 1 . 1 109 109 VAL CG2 C 13 21.578 0.000 . . . . . . . 109 V CG2 . 52073 1 1370 . 1 . 1 109 109 VAL N N 15 122.025 0.000 . . . . . . . 109 V N . 52073 1 1371 . 1 . 1 110 110 PRO HA H 1 4.458 0.000 . . . . . . . 110 P HA . 52073 1 1372 . 1 . 1 110 110 PRO HB2 H 1 1.845 0.000 . . . . . . . 110 P HB2 . 52073 1 1373 . 1 . 1 110 110 PRO HB3 H 1 2.119 0.000 . . . . . . . 110 P HB3 . 52073 1 1374 . 1 . 1 110 110 PRO HG2 H 1 2.219 0.000 . . . . . . . 110 P HG2 . 52073 1 1375 . 1 . 1 110 110 PRO HG3 H 1 1.508 0.000 . . . . . . . 110 P HG3 . 52073 1 1376 . 1 . 1 110 110 PRO HD2 H 1 3.556 0.000 . . . . . . . 110 P HD2 . 52073 1 1377 . 1 . 1 110 110 PRO HD3 H 1 3.770 0.000 . . . . . . . 110 P HD3 . 52073 1 1378 . 1 . 1 110 110 PRO C C 13 175.936 0.000 . . . . . . . 110 P C . 52073 1 1379 . 1 . 1 110 110 PRO CA C 13 63.690 0.000 . . . . . . . 110 P CA . 52073 1 1380 . 1 . 1 110 110 PRO CB C 13 32.283 0.000 . . . . . . . 110 P CB . 52073 1 1381 . 1 . 1 110 110 PRO CG C 13 28.663 0.000 . . . . . . . 110 P CG . 52073 1 1382 . 1 . 1 110 110 PRO CD C 13 51.144 0.000 . . . . . . . 110 P CD . 52073 1 1383 . 1 . 1 111 111 MET H H 1 8.318 0.000 . . . . . . . 111 M H . 52073 1 1384 . 1 . 1 111 111 MET HA H 1 5.748 0.000 . . . . . . . 111 M HA . 52073 1 1385 . 1 . 1 111 111 MET HB2 H 1 2.090 0.000 . . . . . . . 111 M HB2 . 52073 1 1386 . 1 . 1 111 111 MET HB3 H 1 2.122 0.000 . . . . . . . 111 M HB3 . 52073 1 1387 . 1 . 1 111 111 MET HG2 H 1 2.610 0.000 . . . . . . . 111 M HG2 . 52073 1 1388 . 1 . 1 111 111 MET HG3 H 1 2.680 0.000 . . . . . . . 111 M HG3 . 52073 1 1389 . 1 . 1 111 111 MET HE1 H 1 1.855 0.000 . . . . . . . 111 M HE# . 52073 1 1390 . 1 . 1 111 111 MET HE2 H 1 1.855 0.000 . . . . . . . 111 M HE# . 52073 1 1391 . 1 . 1 111 111 MET HE3 H 1 1.855 0.000 . . . . . . . 111 M HE# . 52073 1 1392 . 1 . 1 111 111 MET C C 13 173.616 0.000 . . . . . . . 111 M C . 52073 1 1393 . 1 . 1 111 111 MET CA C 13 55.128 0.000 . . . . . . . 111 M CA . 52073 1 1394 . 1 . 1 111 111 MET CB C 13 37.971 0.000 . . . . . . . 111 M CB . 52073 1 1395 . 1 . 1 111 111 MET CG C 13 32.645 0.000 . . . . . . . 111 M CG . 52073 1 1396 . 1 . 1 111 111 MET CE C 13 17.362 0.000 . . . . . . . 111 M CE . 52073 1 1397 . 1 . 1 111 111 MET N N 15 123.011 0.000 . . . . . . . 111 M N . 52073 1 1398 . 1 . 1 112 112 VAL H H 1 8.112 0.000 . . . . . . . 112 V H . 52073 1 1399 . 1 . 1 112 112 VAL HA H 1 4.337 0.000 . . . . . . . 112 V HA . 52073 1 1400 . 1 . 1 112 112 VAL HB H 1 1.754 0.000 . . . . . . . 112 V HB . 52073 1 1401 . 1 . 1 112 112 VAL HG11 H 1 0.747 0.000 . . . . . . . 112 V QG1 . 52073 1 1402 . 1 . 1 112 112 VAL HG12 H 1 0.747 0.000 . . . . . . . 112 V QG1 . 52073 1 1403 . 1 . 1 112 112 VAL HG13 H 1 0.747 0.000 . . . . . . . 112 V QG1 . 52073 1 1404 . 1 . 1 112 112 VAL HG21 H 1 0.782 0.000 . . . . . . . 112 V QG2 . 52073 1 1405 . 1 . 1 112 112 VAL HG22 H 1 0.782 0.000 . . . . . . . 112 V QG2 . 52073 1 1406 . 1 . 1 112 112 VAL HG23 H 1 0.782 0.000 . . . . . . . 112 V QG2 . 52073 1 1407 . 1 . 1 112 112 VAL C C 13 173.334 0.000 . . . . . . . 112 V C . 52073 1 1408 . 1 . 1 112 112 VAL CA C 13 60.975 0.000 . . . . . . . 112 V CA . 52073 1 1409 . 1 . 1 112 112 VAL CB C 13 37.243 0.000 . . . . . . . 112 V CB . 52073 1 1410 . 1 . 1 112 112 VAL CG1 C 13 21.172 0.000 . . . . . . . 112 V CG1 . 52073 1 1411 . 1 . 1 112 112 VAL CG2 C 13 22.707 0.000 . . . . . . . 112 V CG2 . 52073 1 1412 . 1 . 1 112 112 VAL N N 15 117.812 0.000 . . . . . . . 112 V N . 52073 1 1413 . 1 . 1 113 113 LEU H H 1 8.973 0.000 . . . . . . . 113 L H . 52073 1 1414 . 1 . 1 113 113 LEU HA H 1 5.160 0.000 . . . . . . . 113 L HA . 52073 1 1415 . 1 . 1 113 113 LEU HB2 H 1 1.473 0.000 . . . . . . . 113 L HB2 . 52073 1 1416 . 1 . 1 113 113 LEU HB3 H 1 2.496 0.000 . . . . . . . 113 L HB3 . 52073 1 1417 . 1 . 1 113 113 LEU HG H 1 2.053 0.000 . . . . . . . 113 L HG . 52073 1 1418 . 1 . 1 113 113 LEU HD11 H 1 1.343 0.000 . . . . . . . 113 L QD1 . 52073 1 1419 . 1 . 1 113 113 LEU HD12 H 1 1.343 0.000 . . . . . . . 113 L QD1 . 52073 1 1420 . 1 . 1 113 113 LEU HD13 H 1 1.343 0.000 . . . . . . . 113 L QD1 . 52073 1 1421 . 1 . 1 113 113 LEU HD21 H 1 1.067 0.000 . . . . . . . 113 L QD2 . 52073 1 1422 . 1 . 1 113 113 LEU HD22 H 1 1.067 0.000 . . . . . . . 113 L QD2 . 52073 1 1423 . 1 . 1 113 113 LEU HD23 H 1 1.067 0.000 . . . . . . . 113 L QD2 . 52073 1 1424 . 1 . 1 113 113 LEU C C 13 173.802 0.000 . . . . . . . 113 L C . 52073 1 1425 . 1 . 1 113 113 LEU CA C 13 53.895 0.000 . . . . . . . 113 L CA . 52073 1 1426 . 1 . 1 113 113 LEU CB C 13 44.040 0.000 . . . . . . . 113 L CB . 52073 1 1427 . 1 . 1 113 113 LEU CG C 13 28.057 0.000 . . . . . . . 113 L CG . 52073 1 1428 . 1 . 1 113 113 LEU CD1 C 13 25.432 0.000 . . . . . . . 113 L CD1 . 52073 1 1429 . 1 . 1 113 113 LEU CD2 C 13 27.299 0.000 . . . . . . . 113 L CD2 . 52073 1 1430 . 1 . 1 113 113 LEU N N 15 128.711 0.000 . . . . . . . 113 L N . 52073 1 1431 . 1 . 1 114 114 VAL H H 1 9.183 0.000 . . . . . . . 114 V H . 52073 1 1432 . 1 . 1 114 114 VAL HA H 1 5.108 0.000 . . . . . . . 114 V HA . 52073 1 1433 . 1 . 1 114 114 VAL HB H 1 1.689 0.000 . . . . . . . 114 V HB . 52073 1 1434 . 1 . 1 114 114 VAL HG11 H 1 0.607 0.000 . . . . . . . 114 V QG1 . 52073 1 1435 . 1 . 1 114 114 VAL HG12 H 1 0.607 0.000 . . . . . . . 114 V QG1 . 52073 1 1436 . 1 . 1 114 114 VAL HG13 H 1 0.607 0.000 . . . . . . . 114 V QG1 . 52073 1 1437 . 1 . 1 114 114 VAL HG21 H 1 0.699 0.000 . . . . . . . 114 V QG2 . 52073 1 1438 . 1 . 1 114 114 VAL HG22 H 1 0.699 0.000 . . . . . . . 114 V QG2 . 52073 1 1439 . 1 . 1 114 114 VAL HG23 H 1 0.699 0.000 . . . . . . . 114 V QG2 . 52073 1 1440 . 1 . 1 114 114 VAL C C 13 173.883 0.000 . . . . . . . 114 V C . 52073 1 1441 . 1 . 1 114 114 VAL CA C 13 60.077 0.000 . . . . . . . 114 V CA . 52073 1 1442 . 1 . 1 114 114 VAL CB C 13 35.253 0.000 . . . . . . . 114 V CB . 52073 1 1443 . 1 . 1 114 114 VAL CG1 C 13 23.080 0.010 . . . . . . . 114 V CG1 . 52073 1 1444 . 1 . 1 114 114 VAL CG2 C 13 23.400 0.000 . . . . . . . 114 V CG2 . 52073 1 1445 . 1 . 1 114 114 VAL N N 15 127.884 0.000 . . . . . . . 114 V N . 52073 1 1446 . 1 . 1 115 115 GLY H H 1 8.217 0.000 . . . . . . . 115 G H . 52073 1 1447 . 1 . 1 115 115 GLY HA2 H 1 2.412 0.000 . . . . . . . 115 G HA2 . 52073 1 1448 . 1 . 1 115 115 GLY HA3 H 1 2.894 0.000 . . . . . . . 115 G HA3 . 52073 1 1449 . 1 . 1 115 115 GLY C C 13 171.232 0.000 . . . . . . . 115 G C . 52073 1 1450 . 1 . 1 115 115 GLY CA C 13 45.628 0.000 . . . . . . . 115 G CA . 52073 1 1451 . 1 . 1 115 115 GLY N N 15 113.452 0.000 . . . . . . . 115 G N . 52073 1 1452 . 1 . 1 116 116 ASN H H 1 8.868 0.000 . . . . . . . 116 N H . 52073 1 1453 . 1 . 1 116 116 ASN HA H 1 5.631 0.000 . . . . . . . 116 N HA . 52073 1 1454 . 1 . 1 116 116 ASN HB2 H 1 2.188 0.000 . . . . . . . 116 N HB2 . 52073 1 1455 . 1 . 1 116 116 ASN HB3 H 1 2.537 0.000 . . . . . . . 116 N HB3 . 52073 1 1456 . 1 . 1 116 116 ASN HD21 H 1 7.455 0.000 . . . . . . . 116 N HD21 . 52073 1 1457 . 1 . 1 116 116 ASN HD22 H 1 8.816 0.000 . . . . . . . 116 N HD22 . 52073 1 1458 . 1 . 1 116 116 ASN C C 13 174.538 0.000 . . . . . . . 116 N C . 52073 1 1459 . 1 . 1 116 116 ASN CA C 13 51.643 0.000 . . . . . . . 116 N CA . 52073 1 1460 . 1 . 1 116 116 ASN CB C 13 41.310 0.000 . . . . . . . 116 N CB . 52073 1 1461 . 1 . 1 116 116 ASN N N 15 121.669 0.000 . . . . . . . 116 N N . 52073 1 1462 . 1 . 1 116 116 ASN ND2 N 15 120.053 0.000 . . . . . . . 116 N ND2 . 52073 1 1463 . 1 . 1 117 117 LYS H H 1 7.349 0.000 . . . . . . . 117 K H . 52073 1 1464 . 1 . 1 117 117 LYS HA H 1 4.290 0.000 . . . . . . . 117 K HA . 52073 1 1465 . 1 . 1 117 117 LYS HB2 H 1 2.385 0.010 . . . . . . . 117 K HB2 . 52073 1 1466 . 1 . 1 117 117 LYS HB3 H 1 2.385 0.000 . . . . . . . 117 K HB3 . 52073 1 1467 . 1 . 1 117 117 LYS C C 13 177.101 0.000 . . . . . . . 117 K C . 52073 1 1468 . 1 . 1 117 117 LYS CA C 13 57.378 0.000 . . . . . . . 117 K CA . 52073 1 1469 . 1 . 1 117 117 LYS CB C 13 29.550 0.000 . . . . . . . 117 K CB . 52073 1 1470 . 1 . 1 117 117 LYS N N 15 112.156 0.000 . . . . . . . 117 K N . 52073 1 1471 . 1 . 1 118 118 SER H H 1 8.897 0.000 . . . . . . . 118 S H . 52073 1 1472 . 1 . 1 118 118 SER HA H 1 4.006 0.000 . . . . . . . 118 S HA . 52073 1 1473 . 1 . 1 118 118 SER HB2 H 1 3.653 0.000 . . . . . . . 118 S HB2 . 52073 1 1474 . 1 . 1 118 118 SER HB3 H 1 3.886 0.000 . . . . . . . 118 S HB3 . 52073 1 1475 . 1 . 1 118 118 SER C C 13 173.275 0.000 . . . . . . . 118 S C . 52073 1 1476 . 1 . 1 118 118 SER CA C 13 60.949 0.000 . . . . . . . 118 S CA . 52073 1 1477 . 1 . 1 118 118 SER CB C 13 63.144 0.000 . . . . . . . 118 S CB . 52073 1 1478 . 1 . 1 118 118 SER N N 15 112.756 0.000 . . . . . . . 118 S N . 52073 1 1479 . 1 . 1 119 119 ASP H H 1 8.554 0.000 . . . . . . . 119 D H . 52073 1 1480 . 1 . 1 119 119 ASP HA H 1 4.443 0.000 . . . . . . . 119 D HA . 52073 1 1481 . 1 . 1 119 119 ASP HB2 H 1 2.619 0.000 . . . . . . . 119 D HB2 . 52073 1 1482 . 1 . 1 119 119 ASP HB3 H 1 2.722 0.000 . . . . . . . 119 D HB3 . 52073 1 1483 . 1 . 1 119 119 ASP C C 13 175.677 0.000 . . . . . . . 119 D C . 52073 1 1484 . 1 . 1 119 119 ASP CA C 13 53.987 0.000 . . . . . . . 119 D CA . 52073 1 1485 . 1 . 1 119 119 ASP CB C 13 41.578 0.000 . . . . . . . 119 D CB . 52073 1 1486 . 1 . 1 119 119 ASP N N 15 116.118 0.000 . . . . . . . 119 D N . 52073 1 1487 . 1 . 1 120 120 LEU H H 1 7.798 0.000 . . . . . . . 120 L H . 52073 1 1488 . 1 . 1 120 120 LEU HA H 1 4.506 0.010 . . . . . . . 120 L HA . 52073 1 1489 . 1 . 1 120 120 LEU HB2 H 1 1.445 0.000 . . . . . . . 120 L HB2 . 52073 1 1490 . 1 . 1 120 120 LEU HB3 H 1 1.949 0.000 . . . . . . . 120 L HB3 . 52073 1 1491 . 1 . 1 120 120 LEU HG H 1 1.730 0.000 . . . . . . . 120 L HG . 52073 1 1492 . 1 . 1 120 120 LEU HD11 H 1 0.925 0.000 . . . . . . . 120 L QD1 . 52073 1 1493 . 1 . 1 120 120 LEU HD12 H 1 0.925 0.000 . . . . . . . 120 L QD1 . 52073 1 1494 . 1 . 1 120 120 LEU HD13 H 1 0.925 0.000 . . . . . . . 120 L QD1 . 52073 1 1495 . 1 . 1 120 120 LEU HD21 H 1 0.891 0.000 . . . . . . . 120 L QD2 . 52073 1 1496 . 1 . 1 120 120 LEU HD22 H 1 0.891 0.000 . . . . . . . 120 L QD2 . 52073 1 1497 . 1 . 1 120 120 LEU HD23 H 1 0.891 0.000 . . . . . . . 120 L QD2 . 52073 1 1498 . 1 . 1 120 120 LEU C C 13 176.306 0.000 . . . . . . . 120 L C . 52073 1 1499 . 1 . 1 120 120 LEU CA C 13 53.100 0.010 . . . . . . . 120 L CA . 52073 1 1500 . 1 . 1 120 120 LEU CB C 13 41.764 0.000 . . . . . . . 120 L CB . 52073 1 1501 . 1 . 1 120 120 LEU CG C 13 26.403 0.000 . . . . . . . 120 L CG . 52073 1 1502 . 1 . 1 120 120 LEU CD1 C 13 22.390 0.000 . . . . . . . 120 L CD1 . 52073 1 1503 . 1 . 1 120 120 LEU CD2 C 13 27.211 0.000 . . . . . . . 120 L CD2 . 52073 1 1504 . 1 . 1 120 120 LEU N N 15 121.551 0.000 . . . . . . . 120 L N . 52073 1 1505 . 1 . 1 121 121 PRO HA H 1 4.590 0.000 . . . . . . . 121 P HA . 52073 1 1506 . 1 . 1 121 121 PRO HB2 H 1 2.116 0.000 . . . . . . . 121 P HB2 . 52073 1 1507 . 1 . 1 121 121 PRO HB3 H 1 2.264 0.000 . . . . . . . 121 P HB3 . 52073 1 1508 . 1 . 1 121 121 PRO HG2 H 1 2.128 0.010 . . . . . . . 121 P HG2 . 52073 1 1509 . 1 . 1 121 121 PRO HG3 H 1 2.128 0.000 . . . . . . . 121 P HG3 . 52073 1 1510 . 1 . 1 121 121 PRO HD2 H 1 3.887 0.000 . . . . . . . 121 P HD2 . 52073 1 1511 . 1 . 1 121 121 PRO HD3 H 1 3.833 0.000 . . . . . . . 121 P HD3 . 52073 1 1512 . 1 . 1 121 121 PRO C C 13 176.992 0.000 . . . . . . . 121 P C . 52073 1 1513 . 1 . 1 121 121 PRO CA C 13 63.328 0.000 . . . . . . . 121 P CA . 52073 1 1514 . 1 . 1 121 121 PRO CB C 13 31.776 0.000 . . . . . . . 121 P CB . 52073 1 1515 . 1 . 1 121 121 PRO CG C 13 26.890 0.000 . . . . . . . 121 P CG . 52073 1 1516 . 1 . 1 121 121 PRO CD C 13 50.379 0.000 . . . . . . . 121 P CD . 52073 1 1517 . 1 . 1 122 122 SER H H 1 7.303 0.000 . . . . . . . 122 S H . 52073 1 1518 . 1 . 1 122 122 SER HA H 1 4.524 0.000 . . . . . . . 122 S HA . 52073 1 1519 . 1 . 1 122 122 SER HB2 H 1 3.806 0.000 . . . . . . . 122 S HB2 . 52073 1 1520 . 1 . 1 122 122 SER HB3 H 1 3.989 0.000 . . . . . . . 122 S HB3 . 52073 1 1521 . 1 . 1 122 122 SER C C 13 172.767 0.000 . . . . . . . 122 S C . 52073 1 1522 . 1 . 1 122 122 SER CA C 13 56.435 0.000 . . . . . . . 122 S CA . 52073 1 1523 . 1 . 1 122 122 SER CB C 13 62.367 0.000 . . . . . . . 122 S CB . 52073 1 1524 . 1 . 1 122 122 SER N N 15 113.342 0.000 . . . . . . . 122 S N . 52073 1 1525 . 1 . 1 123 123 ARG H H 1 7.757 0.000 . . . . . . . 123 R H . 52073 1 1526 . 1 . 1 123 123 ARG HA H 1 4.043 0.000 . . . . . . . 123 R HA . 52073 1 1527 . 1 . 1 123 123 ARG HB2 H 1 1.651 0.000 . . . . . . . 123 R HB2 . 52073 1 1528 . 1 . 1 123 123 ARG HB3 H 1 1.893 0.000 . . . . . . . 123 R HB3 . 52073 1 1529 . 1 . 1 123 123 ARG HG2 H 1 1.459 0.000 . . . . . . . 123 R HG2 . 52073 1 1530 . 1 . 1 123 123 ARG HG3 H 1 1.459 0.010 . . . . . . . 123 R HG3 . 52073 1 1531 . 1 . 1 123 123 ARG HD2 H 1 3.119 0.000 . . . . . . . 123 R HD2 . 52073 1 1532 . 1 . 1 123 123 ARG HD3 H 1 3.471 0.000 . . . . . . . 123 R HD3 . 52073 1 1533 . 1 . 1 123 123 ARG HE H 1 7.204 0.000 . . . . . . . 123 R HE . 52073 1 1534 . 1 . 1 123 123 ARG C C 13 176.062 0.000 . . . . . . . 123 R C . 52073 1 1535 . 1 . 1 123 123 ARG CA C 13 56.102 0.000 . . . . . . . 123 R CA . 52073 1 1536 . 1 . 1 123 123 ARG CB C 13 32.532 0.000 . . . . . . . 123 R CB . 52073 1 1537 . 1 . 1 123 123 ARG CG C 13 27.040 0.000 . . . . . . . 123 R CG . 52073 1 1538 . 1 . 1 123 123 ARG CD C 13 44.166 0.000 . . . . . . . 123 R CD . 52073 1 1539 . 1 . 1 123 123 ARG N N 15 120.086 0.000 . . . . . . . 123 R N . 52073 1 1540 . 1 . 1 123 123 ARG NE N 15 83.055 0.000 . . . . . . . 123 R NE . 52073 1 1541 . 1 . 1 124 124 THR H H 1 9.135 0.000 . . . . . . . 124 T H . 52073 1 1542 . 1 . 1 124 124 THR HA H 1 4.531 0.000 . . . . . . . 124 T HA . 52073 1 1543 . 1 . 1 124 124 THR HB H 1 4.257 0.000 . . . . . . . 124 T HB . 52073 1 1544 . 1 . 1 124 124 THR HG21 H 1 1.134 0.010 . . . . . . . 124 T QG2 . 52073 1 1545 . 1 . 1 124 124 THR HG22 H 1 1.134 0.010 . . . . . . . 124 T QG2 . 52073 1 1546 . 1 . 1 124 124 THR HG23 H 1 1.134 0.010 . . . . . . . 124 T QG2 . 52073 1 1547 . 1 . 1 124 124 THR C C 13 174.303 0.000 . . . . . . . 124 T C . 52073 1 1548 . 1 . 1 124 124 THR CA C 13 61.731 0.000 . . . . . . . 124 T CA . 52073 1 1549 . 1 . 1 124 124 THR CB C 13 69.289 0.000 . . . . . . . 124 T CB . 52073 1 1550 . 1 . 1 124 124 THR CG2 C 13 22.380 0.010 . . . . . . . 124 T CG2 . 52073 1 1551 . 1 . 1 124 124 THR N N 15 114.372 0.000 . . . . . . . 124 T N . 52073 1 1552 . 1 . 1 125 125 VAL H H 1 7.584 0.000 . . . . . . . 125 V H . 52073 1 1553 . 1 . 1 125 125 VAL HA H 1 3.973 0.000 . . . . . . . 125 V HA . 52073 1 1554 . 1 . 1 125 125 VAL HB H 1 1.818 0.000 . . . . . . . 125 V HB . 52073 1 1555 . 1 . 1 125 125 VAL HG11 H 1 -0.134 0.000 . . . . . . . 125 V QG1 . 52073 1 1556 . 1 . 1 125 125 VAL HG12 H 1 -0.134 0.000 . . . . . . . 125 V QG1 . 52073 1 1557 . 1 . 1 125 125 VAL HG13 H 1 -0.134 0.000 . . . . . . . 125 V QG1 . 52073 1 1558 . 1 . 1 125 125 VAL HG21 H 1 0.697 0.000 . . . . . . . 125 V QG2 . 52073 1 1559 . 1 . 1 125 125 VAL HG22 H 1 0.697 0.000 . . . . . . . 125 V QG2 . 52073 1 1560 . 1 . 1 125 125 VAL HG23 H 1 0.697 0.000 . . . . . . . 125 V QG2 . 52073 1 1561 . 1 . 1 125 125 VAL C C 13 175.060 0.000 . . . . . . . 125 V C . 52073 1 1562 . 1 . 1 125 125 VAL CA C 13 61.447 0.000 . . . . . . . 125 V CA . 52073 1 1563 . 1 . 1 125 125 VAL CB C 13 33.260 0.000 . . . . . . . 125 V CB . 52073 1 1564 . 1 . 1 125 125 VAL CG1 C 13 19.333 0.000 . . . . . . . 125 V CG1 . 52073 1 1565 . 1 . 1 125 125 VAL CG2 C 13 20.259 0.000 . . . . . . . 125 V CG2 . 52073 1 1566 . 1 . 1 125 125 VAL N N 15 124.301 0.000 . . . . . . . 125 V N . 52073 1 1567 . 1 . 1 126 126 ASP H H 1 8.614 0.000 . . . . . . . 126 D H . 52073 1 1568 . 1 . 1 126 126 ASP HA H 1 4.548 0.000 . . . . . . . 126 D HA . 52073 1 1569 . 1 . 1 126 126 ASP HB2 H 1 2.663 0.010 . . . . . . . 126 D HB2 . 52073 1 1570 . 1 . 1 126 126 ASP HB3 H 1 2.663 0.000 . . . . . . . 126 D HB3 . 52073 1 1571 . 1 . 1 126 126 ASP C C 13 176.694 0.000 . . . . . . . 126 D C . 52073 1 1572 . 1 . 1 126 126 ASP CA C 13 54.240 0.000 . . . . . . . 126 D CA . 52073 1 1573 . 1 . 1 126 126 ASP CB C 13 42.226 0.000 . . . . . . . 126 D CB . 52073 1 1574 . 1 . 1 126 126 ASP N N 15 128.343 0.000 . . . . . . . 126 D N . 52073 1 1575 . 1 . 1 127 127 THR H H 1 8.785 0.000 . . . . . . . 127 T H . 52073 1 1576 . 1 . 1 127 127 THR HA H 1 3.804 0.000 . . . . . . . 127 T HA . 52073 1 1577 . 1 . 1 127 127 THR HB H 1 4.029 0.000 . . . . . . . 127 T HB . 52073 1 1578 . 1 . 1 127 127 THR HG21 H 1 1.347 0.000 . . . . . . . 127 T QG2 . 52073 1 1579 . 1 . 1 127 127 THR HG22 H 1 1.347 0.000 . . . . . . . 127 T QG2 . 52073 1 1580 . 1 . 1 127 127 THR HG23 H 1 1.347 0.000 . . . . . . . 127 T QG2 . 52073 1 1581 . 1 . 1 127 127 THR C C 13 175.794 0.000 . . . . . . . 127 T C . 52073 1 1582 . 1 . 1 127 127 THR CA C 13 67.147 0.000 . . . . . . . 127 T CA . 52073 1 1583 . 1 . 1 127 127 THR CB C 13 69.099 0.000 . . . . . . . 127 T CB . 52073 1 1584 . 1 . 1 127 127 THR CG2 C 13 22.325 0.000 . . . . . . . 127 T CG2 . 52073 1 1585 . 1 . 1 127 127 THR N N 15 121.775 0.000 . . . . . . . 127 T N . 52073 1 1586 . 1 . 1 128 128 LYS H H 1 8.460 0.000 . . . . . . . 128 K H . 52073 1 1587 . 1 . 1 128 128 LYS HA H 1 4.021 0.000 . . . . . . . 128 K HA . 52073 1 1588 . 1 . 1 128 128 LYS HB2 H 1 1.807 0.000 . . . . . . . 128 K HB2 . 52073 1 1589 . 1 . 1 128 128 LYS HB3 H 1 1.796 0.000 . . . . . . . 128 K HB3 . 52073 1 1590 . 1 . 1 128 128 LYS HG2 H 1 1.395 0.000 . . . . . . . 128 K HG2 . 52073 1 1591 . 1 . 1 128 128 LYS HG3 H 1 1.438 0.000 . . . . . . . 128 K HG3 . 52073 1 1592 . 1 . 1 128 128 LYS HD2 H 1 1.620 0.000 . . . . . . . 128 K HD2 . 52073 1 1593 . 1 . 1 128 128 LYS HD3 H 1 1.713 0.000 . . . . . . . 128 K HD3 . 52073 1 1594 . 1 . 1 128 128 LYS HE2 H 1 3.004 0.010 . . . . . . . 128 K HE2 . 52073 1 1595 . 1 . 1 128 128 LYS HE3 H 1 3.004 0.000 . . . . . . . 128 K HE3 . 52073 1 1596 . 1 . 1 128 128 LYS C C 13 178.378 0.000 . . . . . . . 128 K C . 52073 1 1597 . 1 . 1 128 128 LYS CA C 13 59.469 0.000 . . . . . . . 128 K CA . 52073 1 1598 . 1 . 1 128 128 LYS CB C 13 32.014 0.000 . . . . . . . 128 K CB . 52073 1 1599 . 1 . 1 128 128 LYS CG C 13 24.966 0.000 . . . . . . . 128 K CG . 52073 1 1600 . 1 . 1 128 128 LYS CD C 13 28.801 0.000 . . . . . . . 128 K CD . 52073 1 1601 . 1 . 1 128 128 LYS CE C 13 42.210 0.000 . . . . . . . 128 K CE . 52073 1 1602 . 1 . 1 128 128 LYS N N 15 120.380 0.000 . . . . . . . 128 K N . 52073 1 1603 . 1 . 1 129 129 GLN H H 1 7.277 0.000 . . . . . . . 129 Q H . 52073 1 1604 . 1 . 1 129 129 GLN HA H 1 4.060 0.000 . . . . . . . 129 Q HA . 52073 1 1605 . 1 . 1 129 129 GLN HB2 H 1 2.032 0.000 . . . . . . . 129 Q HB2 . 52073 1 1606 . 1 . 1 129 129 GLN HB3 H 1 1.917 0.000 . . . . . . . 129 Q HB3 . 52073 1 1607 . 1 . 1 129 129 GLN HG2 H 1 2.367 0.000 . . . . . . . 129 Q HG2 . 52073 1 1608 . 1 . 1 129 129 GLN HG3 H 1 2.291 0.000 . . . . . . . 129 Q HG3 . 52073 1 1609 . 1 . 1 129 129 GLN HE21 H 1 6.914 0.000 . . . . . . . 129 Q HE21 . 52073 1 1610 . 1 . 1 129 129 GLN HE22 H 1 7.578 0.000 . . . . . . . 129 Q HE22 . 52073 1 1611 . 1 . 1 129 129 GLN C C 13 179.317 0.000 . . . . . . . 129 Q C . 52073 1 1612 . 1 . 1 129 129 GLN CA C 13 58.605 0.000 . . . . . . . 129 Q CA . 52073 1 1613 . 1 . 1 129 129 GLN CB C 13 28.822 0.000 . . . . . . . 129 Q CB . 52073 1 1614 . 1 . 1 129 129 GLN CG C 13 34.605 0.000 . . . . . . . 129 Q CG . 52073 1 1615 . 1 . 1 129 129 GLN N N 15 117.237 0.000 . . . . . . . 129 Q N . 52073 1 1616 . 1 . 1 129 129 GLN NE2 N 15 111.433 0.000 . . . . . . . 129 Q NE2 . 52073 1 1617 . 1 . 1 130 130 ALA H H 1 7.084 0.000 . . . . . . . 130 A H . 52073 1 1618 . 1 . 1 130 130 ALA HA H 1 3.873 0.000 . . . . . . . 130 A HA . 52073 1 1619 . 1 . 1 130 130 ALA HB1 H 1 0.704 0.000 . . . . . . . 130 A HB# . 52073 1 1620 . 1 . 1 130 130 ALA HB2 H 1 0.704 0.000 . . . . . . . 130 A HB# . 52073 1 1621 . 1 . 1 130 130 ALA HB3 H 1 0.704 0.000 . . . . . . . 130 A HB# . 52073 1 1622 . 1 . 1 130 130 ALA C C 13 178.051 0.000 . . . . . . . 130 A C . 52073 1 1623 . 1 . 1 130 130 ALA CA C 13 54.950 0.000 . . . . . . . 130 A CA . 52073 1 1624 . 1 . 1 130 130 ALA CB C 13 18.803 0.000 . . . . . . . 130 A CB . 52073 1 1625 . 1 . 1 130 130 ALA N N 15 122.696 0.000 . . . . . . . 130 A N . 52073 1 1626 . 1 . 1 131 131 GLN H H 1 8.429 0.000 . . . . . . . 131 Q H . 52073 1 1627 . 1 . 1 131 131 GLN HA H 1 3.724 0.000 . . . . . . . 131 Q HA . 52073 1 1628 . 1 . 1 131 131 GLN HB2 H 1 2.034 0.000 . . . . . . . 131 Q HB2 . 52073 1 1629 . 1 . 1 131 131 GLN HB3 H 1 2.235 0.000 . . . . . . . 131 Q HB3 . 52073 1 1630 . 1 . 1 131 131 GLN HG2 H 1 2.519 0.010 . . . . . . . 131 Q HG2 . 52073 1 1631 . 1 . 1 131 131 GLN HG3 H 1 2.519 0.000 . . . . . . . 131 Q HG3 . 52073 1 1632 . 1 . 1 131 131 GLN HE21 H 1 7.556 0.000 . . . . . . . 131 Q HE21 . 52073 1 1633 . 1 . 1 131 131 GLN HE22 H 1 6.963 0.000 . . . . . . . 131 Q HE22 . 52073 1 1634 . 1 . 1 131 131 GLN C C 13 179.452 0.000 . . . . . . . 131 Q C . 52073 1 1635 . 1 . 1 131 131 GLN CA C 13 59.001 0.000 . . . . . . . 131 Q CA . 52073 1 1636 . 1 . 1 131 131 GLN CB C 13 28.682 0.000 . . . . . . . 131 Q CB . 52073 1 1637 . 1 . 1 131 131 GLN CG C 13 34.610 0.000 . . . . . . . 131 Q CG . 52073 1 1638 . 1 . 1 131 131 GLN N N 15 117.828 0.000 . . . . . . . 131 Q N . 52073 1 1639 . 1 . 1 131 131 GLN NE2 N 15 111.775 0.000 . . . . . . . 131 Q NE2 . 52073 1 1640 . 1 . 1 132 132 ASP H H 1 8.494 0.000 . . . . . . . 132 D H . 52073 1 1641 . 1 . 1 132 132 ASP HA H 1 4.351 0.000 . . . . . . . 132 D HA . 52073 1 1642 . 1 . 1 132 132 ASP HB2 H 1 2.562 0.000 . . . . . . . 132 D HB2 . 52073 1 1643 . 1 . 1 132 132 ASP HB3 H 1 2.750 0.000 . . . . . . . 132 D HB3 . 52073 1 1644 . 1 . 1 132 132 ASP C C 13 178.922 0.000 . . . . . . . 132 D C . 52073 1 1645 . 1 . 1 132 132 ASP CA C 13 57.370 0.000 . . . . . . . 132 D CA . 52073 1 1646 . 1 . 1 132 132 ASP CB C 13 39.801 0.000 . . . . . . . 132 D CB . 52073 1 1647 . 1 . 1 132 132 ASP N N 15 120.349 0.000 . . . . . . . 132 D N . 52073 1 1648 . 1 . 1 133 133 LEU H H 1 7.572 0.000 . . . . . . . 133 L H . 52073 1 1649 . 1 . 1 133 133 LEU HA H 1 3.872 0.000 . . . . . . . 133 L HA . 52073 1 1650 . 1 . 1 133 133 LEU HB2 H 1 1.461 0.000 . . . . . . . 133 L HB2 . 52073 1 1651 . 1 . 1 133 133 LEU HB3 H 1 1.749 0.000 . . . . . . . 133 L HB3 . 52073 1 1652 . 1 . 1 133 133 LEU HG H 1 0.830 0.000 . . . . . . . 133 L HG . 52073 1 1653 . 1 . 1 133 133 LEU HD11 H 1 0.464 0.000 . . . . . . . 133 L QD1 . 52073 1 1654 . 1 . 1 133 133 LEU HD12 H 1 0.464 0.000 . . . . . . . 133 L QD1 . 52073 1 1655 . 1 . 1 133 133 LEU HD13 H 1 0.464 0.000 . . . . . . . 133 L QD1 . 52073 1 1656 . 1 . 1 133 133 LEU HD21 H 1 0.423 0.000 . . . . . . . 133 L QD2 . 52073 1 1657 . 1 . 1 133 133 LEU HD22 H 1 0.423 0.000 . . . . . . . 133 L QD2 . 52073 1 1658 . 1 . 1 133 133 LEU HD23 H 1 0.423 0.000 . . . . . . . 133 L QD2 . 52073 1 1659 . 1 . 1 133 133 LEU C C 13 178.971 0.000 . . . . . . . 133 L C . 52073 1 1660 . 1 . 1 133 133 LEU CA C 13 57.847 0.000 . . . . . . . 133 L CA . 52073 1 1661 . 1 . 1 133 133 LEU CB C 13 41.700 0.000 . . . . . . . 133 L CB . 52073 1 1662 . 1 . 1 133 133 LEU CG C 13 26.608 0.000 . . . . . . . 133 L CG . 52073 1 1663 . 1 . 1 133 133 LEU CD1 C 13 22.899 0.000 . . . . . . . 133 L CD1 . 52073 1 1664 . 1 . 1 133 133 LEU CD2 C 13 26.151 0.000 . . . . . . . 133 L CD2 . 52073 1 1665 . 1 . 1 133 133 LEU N N 15 123.560 0.000 . . . . . . . 133 L N . 52073 1 1666 . 1 . 1 134 134 ALA H H 1 8.269 0.000 . . . . . . . 134 A H . 52073 1 1667 . 1 . 1 134 134 ALA HA H 1 3.794 0.000 . . . . . . . 134 A HA . 52073 1 1668 . 1 . 1 134 134 ALA HB1 H 1 1.740 0.000 . . . . . . . 134 A HB# . 52073 1 1669 . 1 . 1 134 134 ALA HB2 H 1 1.740 0.000 . . . . . . . 134 A HB# . 52073 1 1670 . 1 . 1 134 134 ALA HB3 H 1 1.740 0.000 . . . . . . . 134 A HB# . 52073 1 1671 . 1 . 1 134 134 ALA C C 13 179.919 0.000 . . . . . . . 134 A C . 52073 1 1672 . 1 . 1 134 134 ALA CA C 13 55.912 0.000 . . . . . . . 134 A CA . 52073 1 1673 . 1 . 1 134 134 ALA CB C 13 18.316 0.000 . . . . . . . 134 A CB . 52073 1 1674 . 1 . 1 134 134 ALA N N 15 121.642 0.000 . . . . . . . 134 A N . 52073 1 1675 . 1 . 1 135 135 ARG H H 1 8.467 0.000 . . . . . . . 135 R H . 52073 1 1676 . 1 . 1 135 135 ARG HA H 1 4.179 0.000 . . . . . . . 135 R HA . 52073 1 1677 . 1 . 1 135 135 ARG HB2 H 1 1.948 0.000 . . . . . . . 135 R HB2 . 52073 1 1678 . 1 . 1 135 135 ARG HB3 H 1 2.014 0.000 . . . . . . . 135 R HB3 . 52073 1 1679 . 1 . 1 135 135 ARG HG2 H 1 1.659 0.000 . . . . . . . 135 R HG2 . 52073 1 1680 . 1 . 1 135 135 ARG HG3 H 1 1.803 0.000 . . . . . . . 135 R HG3 . 52073 1 1681 . 1 . 1 135 135 ARG HD2 H 1 3.271 0.000 . . . . . . . 135 R HD2 . 52073 1 1682 . 1 . 1 135 135 ARG HD3 H 1 3.271 0.010 . . . . . . . 135 R HD3 . 52073 1 1683 . 1 . 1 135 135 ARG HE H 1 7.260 0.000 . . . . . . . 135 R HE . 52073 1 1684 . 1 . 1 135 135 ARG C C 13 180.038 0.000 . . . . . . . 135 R C . 52073 1 1685 . 1 . 1 135 135 ARG CA C 13 59.521 0.000 . . . . . . . 135 R CA . 52073 1 1686 . 1 . 1 135 135 ARG CB C 13 29.857 0.000 . . . . . . . 135 R CB . 52073 1 1687 . 1 . 1 135 135 ARG CG C 13 27.838 0.000 . . . . . . . 135 R CG . 52073 1 1688 . 1 . 1 135 135 ARG CD C 13 43.315 0.000 . . . . . . . 135 R CD . 52073 1 1689 . 1 . 1 135 135 ARG N N 15 118.223 0.000 . . . . . . . 135 R N . 52073 1 1690 . 1 . 1 135 135 ARG NE N 15 84.259 0.000 . . . . . . . 135 R NE . 52073 1 1691 . 1 . 1 136 136 SER H H 1 7.969 0.000 . . . . . . . 136 S H . 52073 1 1692 . 1 . 1 136 136 SER HA H 1 4.259 0.000 . . . . . . . 136 S HA . 52073 1 1693 . 1 . 1 136 136 SER HB2 H 1 3.926 0.000 . . . . . . . 136 S HB2 . 52073 1 1694 . 1 . 1 136 136 SER HB3 H 1 3.926 0.000 . . . . . . . 136 S HB3 . 52073 1 1695 . 1 . 1 136 136 SER C C 13 176.147 0.000 . . . . . . . 136 S C . 52073 1 1696 . 1 . 1 136 136 SER CA C 13 61.565 0.000 . . . . . . . 136 S CA . 52073 1 1697 . 1 . 1 136 136 SER CB C 13 62.606 0.000 . . . . . . . 136 S CB . 52073 1 1698 . 1 . 1 136 136 SER N N 15 117.621 0.000 . . . . . . . 136 S N . 52073 1 1699 . 1 . 1 137 137 TYR H H 1 7.589 0.000 . . . . . . . 137 Y H . 52073 1 1700 . 1 . 1 137 137 TYR HA H 1 4.921 0.000 . . . . . . . 137 Y HA . 52073 1 1701 . 1 . 1 137 137 TYR HB2 H 1 3.084 0.000 . . . . . . . 137 Y HB2 . 52073 1 1702 . 1 . 1 137 137 TYR HB3 H 1 3.266 0.000 . . . . . . . 137 Y HB3 . 52073 1 1703 . 1 . 1 137 137 TYR HD1 H 1 6.798 0.000 . . . . . . . 137 Y QD . 52073 1 1704 . 1 . 1 137 137 TYR HD2 H 1 6.798 0.000 . . . . . . . 137 Y QD . 52073 1 1705 . 1 . 1 137 137 TYR HE1 H 1 6.599 0.000 . . . . . . . 137 Y QE . 52073 1 1706 . 1 . 1 137 137 TYR HE2 H 1 6.599 0.000 . . . . . . . 137 Y QE . 52073 1 1707 . 1 . 1 137 137 TYR C C 13 176.215 0.000 . . . . . . . 137 Y C . 52073 1 1708 . 1 . 1 137 137 TYR CA C 13 54.816 0.000 . . . . . . . 137 Y CA . 52073 1 1709 . 1 . 1 137 137 TYR CB C 13 38.880 0.000 . . . . . . . 137 Y CB . 52073 1 1710 . 1 . 1 137 137 TYR CD1 C 13 130.230 0.000 . . . . . . . 137 Y CD1 . 52073 1 1711 . 1 . 1 137 137 TYR CD2 C 13 130.230 0.000 . . . . . . . 137 Y CD2 . 52073 1 1712 . 1 . 1 137 137 TYR CE1 C 13 118.136 0.000 . . . . . . . 137 Y CE1 . 52073 1 1713 . 1 . 1 137 137 TYR CE2 C 13 118.136 0.000 . . . . . . . 137 Y CE2 . 52073 1 1714 . 1 . 1 137 137 TYR N N 15 119.763 0.000 . . . . . . . 137 Y N . 52073 1 1715 . 1 . 1 138 138 GLY H H 1 8.303 0.000 . . . . . . . 138 G H . 52073 1 1716 . 1 . 1 138 138 GLY HA2 H 1 4.170 0.000 . . . . . . . 138 G HA2 . 52073 1 1717 . 1 . 1 138 138 GLY HA3 H 1 4.012 0.000 . . . . . . . 138 G HA3 . 52073 1 1718 . 1 . 1 138 138 GLY C C 13 175.193 0.000 . . . . . . . 138 G C . 52073 1 1719 . 1 . 1 138 138 GLY CA C 13 46.548 0.000 . . . . . . . 138 G CA . 52073 1 1720 . 1 . 1 138 138 GLY N N 15 111.028 0.000 . . . . . . . 138 G N . 52073 1 1721 . 1 . 1 139 139 ILE H H 1 8.050 0.000 . . . . . . . 139 I H . 52073 1 1722 . 1 . 1 139 139 ILE HA H 1 5.236 0.000 . . . . . . . 139 I HA . 52073 1 1723 . 1 . 1 139 139 ILE HB H 1 2.443 0.000 . . . . . . . 139 I HB . 52073 1 1724 . 1 . 1 139 139 ILE HG12 H 1 1.408 0.000 . . . . . . . 139 I HG12 . 52073 1 1725 . 1 . 1 139 139 ILE HG13 H 1 1.692 0.000 . . . . . . . 139 I HG13 . 52073 1 1726 . 1 . 1 139 139 ILE HG21 H 1 0.976 0.000 . . . . . . . 139 I QG2 . 52073 1 1727 . 1 . 1 139 139 ILE HG22 H 1 0.976 0.000 . . . . . . . 139 I QG2 . 52073 1 1728 . 1 . 1 139 139 ILE HG23 H 1 0.976 0.000 . . . . . . . 139 I QG2 . 52073 1 1729 . 1 . 1 139 139 ILE HD11 H 1 0.886 0.000 . . . . . . . 139 I QD1 . 52073 1 1730 . 1 . 1 139 139 ILE HD12 H 1 0.886 0.000 . . . . . . . 139 I QD1 . 52073 1 1731 . 1 . 1 139 139 ILE HD13 H 1 0.886 0.000 . . . . . . . 139 I QD1 . 52073 1 1732 . 1 . 1 139 139 ILE C C 13 172.879 0.000 . . . . . . . 139 I C . 52073 1 1733 . 1 . 1 139 139 ILE CA C 13 58.471 0.000 . . . . . . . 139 I CA . 52073 1 1734 . 1 . 1 139 139 ILE CB C 13 38.555 0.000 . . . . . . . 139 I CB . 52073 1 1735 . 1 . 1 139 139 ILE CG1 C 13 23.767 0.000 . . . . . . . 139 I CG1 . 52073 1 1736 . 1 . 1 139 139 ILE CG2 C 13 18.049 0.000 . . . . . . . 139 I CG2 . 52073 1 1737 . 1 . 1 139 139 ILE CD1 C 13 15.189 0.000 . . . . . . . 139 I CD1 . 52073 1 1738 . 1 . 1 139 139 ILE N N 15 112.889 0.000 . . . . . . . 139 I N . 52073 1 1739 . 1 . 1 140 140 PRO HA H 1 4.654 0.000 . . . . . . . 140 P HA . 52073 1 1740 . 1 . 1 140 140 PRO HB2 H 1 2.534 0.000 . . . . . . . 140 P HB2 . 52073 1 1741 . 1 . 1 140 140 PRO HB3 H 1 1.667 0.000 . . . . . . . 140 P HB3 . 52073 1 1742 . 1 . 1 140 140 PRO HG2 H 1 1.780 0.000 . . . . . . . 140 P HG2 . 52073 1 1743 . 1 . 1 140 140 PRO HG3 H 1 1.954 0.000 . . . . . . . 140 P HG3 . 52073 1 1744 . 1 . 1 140 140 PRO HD2 H 1 3.974 0.000 . . . . . . . 140 P HD2 . 52073 1 1745 . 1 . 1 140 140 PRO HD3 H 1 4.064 0.000 . . . . . . . 140 P HD3 . 52073 1 1746 . 1 . 1 140 140 PRO C C 13 174.618 0.000 . . . . . . . 140 P C . 52073 1 1747 . 1 . 1 140 140 PRO CA C 13 62.324 0.000 . . . . . . . 140 P CA . 52073 1 1748 . 1 . 1 140 140 PRO CB C 13 33.157 0.000 . . . . . . . 140 P CB . 52073 1 1749 . 1 . 1 140 140 PRO CG C 13 28.185 0.000 . . . . . . . 140 P CG . 52073 1 1750 . 1 . 1 140 140 PRO CD C 13 50.821 0.000 . . . . . . . 140 P CD . 52073 1 1751 . 1 . 1 141 141 PHE H H 1 8.309 0.000 . . . . . . . 141 F H . 52073 1 1752 . 1 . 1 141 141 PHE HA H 1 6.110 0.000 . . . . . . . 141 F HA . 52073 1 1753 . 1 . 1 141 141 PHE HB2 H 1 2.783 0.000 . . . . . . . 141 F HB2 . 52073 1 1754 . 1 . 1 141 141 PHE HB3 H 1 3.100 0.000 . . . . . . . 141 F HB3 . 52073 1 1755 . 1 . 1 141 141 PHE HD1 H 1 7.168 0.000 . . . . . . . 141 F QD . 52073 1 1756 . 1 . 1 141 141 PHE HD2 H 1 7.168 0.000 . . . . . . . 141 F QD . 52073 1 1757 . 1 . 1 141 141 PHE HE1 H 1 7.285 0.000 . . . . . . . 141 F QE . 52073 1 1758 . 1 . 1 141 141 PHE HE2 H 1 7.285 0.000 . . . . . . . 141 F QE . 52073 1 1759 . 1 . 1 141 141 PHE HZ H 1 7.445 0.000 . . . . . . . 141 F HZ . 52073 1 1760 . 1 . 1 141 141 PHE C C 13 173.794 0.000 . . . . . . . 141 F C . 52073 1 1761 . 1 . 1 141 141 PHE CA C 13 54.825 0.000 . . . . . . . 141 F CA . 52073 1 1762 . 1 . 1 141 141 PHE CB C 13 42.471 0.000 . . . . . . . 141 F CB . 52073 1 1763 . 1 . 1 141 141 PHE CD1 C 13 131.808 0.000 . . . . . . . 141 F CD1 . 52073 1 1764 . 1 . 1 141 141 PHE CD2 C 13 131.808 0.000 . . . . . . . 141 F CD2 . 52073 1 1765 . 1 . 1 141 141 PHE CE1 C 13 131.170 0.000 . . . . . . . 141 F CE1 . 52073 1 1766 . 1 . 1 141 141 PHE CE2 C 13 131.170 0.000 . . . . . . . 141 F CE2 . 52073 1 1767 . 1 . 1 141 141 PHE CZ C 13 130.132 0.000 . . . . . . . 141 F CZ . 52073 1 1768 . 1 . 1 141 141 PHE N N 15 120.102 0.000 . . . . . . . 141 F N . 52073 1 1769 . 1 . 1 142 142 ILE H H 1 8.360 0.000 . . . . . . . 142 I H . 52073 1 1770 . 1 . 1 142 142 ILE HA H 1 3.864 0.000 . . . . . . . 142 I HA . 52073 1 1771 . 1 . 1 142 142 ILE HB H 1 1.329 0.000 . . . . . . . 142 I HB . 52073 1 1772 . 1 . 1 142 142 ILE HG12 H 1 1.025 0.000 . . . . . . . 142 I HG12 . 52073 1 1773 . 1 . 1 142 142 ILE HG13 H 1 1.252 0.000 . . . . . . . 142 I HG13 . 52073 1 1774 . 1 . 1 142 142 ILE HG21 H 1 0.644 0.000 . . . . . . . 142 I QG2 . 52073 1 1775 . 1 . 1 142 142 ILE HG22 H 1 0.644 0.000 . . . . . . . 142 I QG2 . 52073 1 1776 . 1 . 1 142 142 ILE HG23 H 1 0.644 0.000 . . . . . . . 142 I QG2 . 52073 1 1777 . 1 . 1 142 142 ILE HD11 H 1 0.707 0.000 . . . . . . . 142 I QD1 . 52073 1 1778 . 1 . 1 142 142 ILE HD12 H 1 0.707 0.000 . . . . . . . 142 I QD1 . 52073 1 1779 . 1 . 1 142 142 ILE HD13 H 1 0.707 0.000 . . . . . . . 142 I QD1 . 52073 1 1780 . 1 . 1 142 142 ILE C C 13 172.721 0.000 . . . . . . . 142 I C . 52073 1 1781 . 1 . 1 142 142 ILE CA C 13 59.436 0.000 . . . . . . . 142 I CA . 52073 1 1782 . 1 . 1 142 142 ILE CB C 13 42.552 0.000 . . . . . . . 142 I CB . 52073 1 1783 . 1 . 1 142 142 ILE CG1 C 13 28.493 0.000 . . . . . . . 142 I CG1 . 52073 1 1784 . 1 . 1 142 142 ILE CG2 C 13 17.414 0.000 . . . . . . . 142 I CG2 . 52073 1 1785 . 1 . 1 142 142 ILE CD1 C 13 13.995 0.000 . . . . . . . 142 I CD1 . 52073 1 1786 . 1 . 1 142 142 ILE N N 15 129.681 0.000 . . . . . . . 142 I N . 52073 1 1787 . 1 . 1 143 143 GLU H H 1 7.904 0.000 . . . . . . . 143 E H . 52073 1 1788 . 1 . 1 143 143 GLU HA H 1 4.819 0.000 . . . . . . . 143 E HA . 52073 1 1789 . 1 . 1 143 143 GLU HB2 H 1 1.742 0.000 . . . . . . . 143 E HB2 . 52073 1 1790 . 1 . 1 143 143 GLU HB3 H 1 1.872 0.000 . . . . . . . 143 E HB3 . 52073 1 1791 . 1 . 1 143 143 GLU HG2 H 1 2.280 0.000 . . . . . . . 143 E HG2 . 52073 1 1792 . 1 . 1 143 143 GLU HG3 H 1 2.124 0.000 . . . . . . . 143 E HG3 . 52073 1 1793 . 1 . 1 143 143 GLU C C 13 176.565 0.000 . . . . . . . 143 E C . 52073 1 1794 . 1 . 1 143 143 GLU CA C 13 55.283 0.000 . . . . . . . 143 E CA . 52073 1 1795 . 1 . 1 143 143 GLU CB C 13 31.164 0.000 . . . . . . . 143 E CB . 52073 1 1796 . 1 . 1 143 143 GLU CG C 13 38.870 0.000 . . . . . . . 143 E CG . 52073 1 1797 . 1 . 1 143 143 GLU N N 15 124.970 0.000 . . . . . . . 143 E N . 52073 1 1798 . 1 . 1 144 144 THR H H 1 8.914 0.000 . . . . . . . 144 T H . 52073 1 1799 . 1 . 1 144 144 THR HA H 1 5.029 0.000 . . . . . . . 144 T HA . 52073 1 1800 . 1 . 1 144 144 THR HB H 1 3.911 0.000 . . . . . . . 144 T HB . 52073 1 1801 . 1 . 1 144 144 THR HG21 H 1 0.666 0.000 . . . . . . . 144 T QG2 . 52073 1 1802 . 1 . 1 144 144 THR HG22 H 1 0.666 0.000 . . . . . . . 144 T QG2 . 52073 1 1803 . 1 . 1 144 144 THR HG23 H 1 0.666 0.000 . . . . . . . 144 T QG2 . 52073 1 1804 . 1 . 1 144 144 THR C C 13 175.725 0.000 . . . . . . . 144 T C . 52073 1 1805 . 1 . 1 144 144 THR CA C 13 59.826 0.000 . . . . . . . 144 T CA . 52073 1 1806 . 1 . 1 144 144 THR CB C 13 73.687 0.000 . . . . . . . 144 T CB . 52073 1 1807 . 1 . 1 144 144 THR CG2 C 13 22.038 0.000 . . . . . . . 144 T CG2 . 52073 1 1808 . 1 . 1 144 144 THR N N 15 113.654 0.000 . . . . . . . 144 T N . 52073 1 1809 . 1 . 1 145 145 SER H H 1 8.673 0.000 . . . . . . . 145 S H . 52073 1 1810 . 1 . 1 145 145 SER HA H 1 4.865 0.000 . . . . . . . 145 S HA . 52073 1 1811 . 1 . 1 145 145 SER HB2 H 1 3.997 0.000 . . . . . . . 145 S HB2 . 52073 1 1812 . 1 . 1 145 145 SER HB3 H 1 3.997 0.000 . . . . . . . 145 S HB3 . 52073 1 1813 . 1 . 1 145 145 SER C C 13 175.732 0.000 . . . . . . . 145 S C . 52073 1 1814 . 1 . 1 145 145 SER CA C 13 57.543 0.000 . . . . . . . 145 S CA . 52073 1 1815 . 1 . 1 145 145 SER CB C 13 64.369 0.000 . . . . . . . 145 S CB . 52073 1 1816 . 1 . 1 145 145 SER N N 15 111.887 0.000 . . . . . . . 145 S N . 52073 1 1817 . 1 . 1 146 146 ALA H H 1 9.169 0.000 . . . . . . . 146 A H . 52073 1 1818 . 1 . 1 146 146 ALA HA H 1 3.899 0.000 . . . . . . . 146 A HA . 52073 1 1819 . 1 . 1 146 146 ALA HB1 H 1 1.573 0.000 . . . . . . . 146 A HB# . 52073 1 1820 . 1 . 1 146 146 ALA HB2 H 1 1.573 0.000 . . . . . . . 146 A HB# . 52073 1 1821 . 1 . 1 146 146 ALA HB3 H 1 1.573 0.000 . . . . . . . 146 A HB# . 52073 1 1822 . 1 . 1 146 146 ALA C C 13 175.808 0.000 . . . . . . . 146 A C . 52073 1 1823 . 1 . 1 146 146 ALA CA C 13 54.526 0.000 . . . . . . . 146 A CA . 52073 1 1824 . 1 . 1 146 146 ALA CB C 13 18.643 0.000 . . . . . . . 146 A CB . 52073 1 1825 . 1 . 1 146 146 ALA N N 15 132.223 0.000 . . . . . . . 146 A N . 52073 1 1826 . 1 . 1 147 147 LYS H H 1 7.081 0.000 . . . . . . . 147 K H . 52073 1 1827 . 1 . 1 147 147 LYS HA H 1 2.600 0.000 . . . . . . . 147 K HA . 52073 1 1828 . 1 . 1 147 147 LYS HB2 H 1 0.393 0.000 . . . . . . . 147 K HB2 . 52073 1 1829 . 1 . 1 147 147 LYS HB3 H 1 1.074 0.000 . . . . . . . 147 K HB3 . 52073 1 1830 . 1 . 1 147 147 LYS HG2 H 1 0.430 0.000 . . . . . . . 147 K HG2 . 52073 1 1831 . 1 . 1 147 147 LYS HG3 H 1 0.684 0.000 . . . . . . . 147 K HG3 . 52073 1 1832 . 1 . 1 147 147 LYS HD2 H 1 1.208 0.000 . . . . . . . 147 K HD2 . 52073 1 1833 . 1 . 1 147 147 LYS HD3 H 1 1.335 0.000 . . . . . . . 147 K HD3 . 52073 1 1834 . 1 . 1 147 147 LYS HE2 H 1 2.732 0.000 . . . . . . . 147 K HE2 . 52073 1 1835 . 1 . 1 147 147 LYS HE3 H 1 2.784 0.000 . . . . . . . 147 K HE3 . 52073 1 1836 . 1 . 1 147 147 LYS C C 13 176.991 0.000 . . . . . . . 147 K C . 52073 1 1837 . 1 . 1 147 147 LYS CA C 13 58.324 0.000 . . . . . . . 147 K CA . 52073 1 1838 . 1 . 1 147 147 LYS CB C 13 33.862 0.000 . . . . . . . 147 K CB . 52073 1 1839 . 1 . 1 147 147 LYS CG C 13 24.767 0.000 . . . . . . . 147 K CG . 52073 1 1840 . 1 . 1 147 147 LYS CD C 13 29.688 0.000 . . . . . . . 147 K CD . 52073 1 1841 . 1 . 1 147 147 LYS CE C 13 42.126 0.000 . . . . . . . 147 K CE . 52073 1 1842 . 1 . 1 147 147 LYS N N 15 116.247 0.000 . . . . . . . 147 K N . 52073 1 1843 . 1 . 1 148 148 THR H H 1 7.738 0.000 . . . . . . . 148 T H . 52073 1 1844 . 1 . 1 148 148 THR HA H 1 4.137 0.000 . . . . . . . 148 T HA . 52073 1 1845 . 1 . 1 148 148 THR HB H 1 4.422 0.000 . . . . . . . 148 T HB . 52073 1 1846 . 1 . 1 148 148 THR HG21 H 1 1.049 0.000 . . . . . . . 148 T QG2 . 52073 1 1847 . 1 . 1 148 148 THR HG22 H 1 1.049 0.000 . . . . . . . 148 T QG2 . 52073 1 1848 . 1 . 1 148 148 THR HG23 H 1 1.049 0.000 . . . . . . . 148 T QG2 . 52073 1 1849 . 1 . 1 148 148 THR C C 13 175.753 0.000 . . . . . . . 148 T C . 52073 1 1850 . 1 . 1 148 148 THR CA C 13 61.428 0.000 . . . . . . . 148 T CA . 52073 1 1851 . 1 . 1 148 148 THR CB C 13 69.619 0.000 . . . . . . . 148 T CB . 52073 1 1852 . 1 . 1 148 148 THR CG2 C 13 21.233 0.000 . . . . . . . 148 T CG2 . 52073 1 1853 . 1 . 1 148 148 THR N N 15 106.392 0.000 . . . . . . . 148 T N . 52073 1 1854 . 1 . 1 149 149 ARG H H 1 7.792 0.000 . . . . . . . 149 R H . 52073 1 1855 . 1 . 1 149 149 ARG HA H 1 3.473 0.000 . . . . . . . 149 R HA . 52073 1 1856 . 1 . 1 149 149 ARG HB2 H 1 1.671 0.000 . . . . . . . 149 R HB2 . 52073 1 1857 . 1 . 1 149 149 ARG HB3 H 1 2.220 0.000 . . . . . . . 149 R HB3 . 52073 1 1858 . 1 . 1 149 149 ARG HG2 H 1 1.162 0.000 . . . . . . . 149 R HG2 . 52073 1 1859 . 1 . 1 149 149 ARG HG3 H 1 1.942 0.000 . . . . . . . 149 R HG3 . 52073 1 1860 . 1 . 1 149 149 ARG HD2 H 1 3.120 0.000 . . . . . . . 149 R HD2 . 52073 1 1861 . 1 . 1 149 149 ARG HD3 H 1 3.120 0.010 . . . . . . . 149 R HD3 . 52073 1 1862 . 1 . 1 149 149 ARG HE H 1 6.892 0.000 . . . . . . . 149 R HE . 52073 1 1863 . 1 . 1 149 149 ARG C C 13 175.762 0.000 . . . . . . . 149 R C . 52073 1 1864 . 1 . 1 149 149 ARG CA C 13 58.961 0.000 . . . . . . . 149 R CA . 52073 1 1865 . 1 . 1 149 149 ARG CB C 13 30.598 0.000 . . . . . . . 149 R CB . 52073 1 1866 . 1 . 1 149 149 ARG CG C 13 32.652 0.000 . . . . . . . 149 R CG . 52073 1 1867 . 1 . 1 149 149 ARG CD C 13 43.347 0.000 . . . . . . . 149 R CD . 52073 1 1868 . 1 . 1 149 149 ARG N N 15 119.463 0.000 . . . . . . . 149 R N . 52073 1 1869 . 1 . 1 149 149 ARG NE N 15 85.120 0.000 . . . . . . . 149 R NE . 52073 1 1870 . 1 . 1 150 150 GLN H H 1 7.823 0.000 . . . . . . . 150 Q H . 52073 1 1871 . 1 . 1 150 150 GLN HA H 1 4.099 0.000 . . . . . . . 150 Q HA . 52073 1 1872 . 1 . 1 150 150 GLN HB2 H 1 1.933 0.000 . . . . . . . 150 Q HB2 . 52073 1 1873 . 1 . 1 150 150 GLN HB3 H 1 1.758 0.000 . . . . . . . 150 Q HB3 . 52073 1 1874 . 1 . 1 150 150 GLN HG2 H 1 2.192 0.000 . . . . . . . 150 Q HG2 . 52073 1 1875 . 1 . 1 150 150 GLN HG3 H 1 2.306 0.000 . . . . . . . 150 Q HG3 . 52073 1 1876 . 1 . 1 150 150 GLN HE21 H 1 6.929 0.000 . . . . . . . 150 Q HE21 . 52073 1 1877 . 1 . 1 150 150 GLN HE22 H 1 7.344 0.000 . . . . . . . 150 Q HE22 . 52073 1 1878 . 1 . 1 150 150 GLN C C 13 177.005 0.000 . . . . . . . 150 Q C . 52073 1 1879 . 1 . 1 150 150 GLN CA C 13 57.441 0.000 . . . . . . . 150 Q CA . 52073 1 1880 . 1 . 1 150 150 GLN CB C 13 28.856 0.000 . . . . . . . 150 Q CB . 52073 1 1881 . 1 . 1 150 150 GLN CG C 13 33.341 0.000 . . . . . . . 150 Q CG . 52073 1 1882 . 1 . 1 150 150 GLN N N 15 123.991 0.000 . . . . . . . 150 Q N . 52073 1 1883 . 1 . 1 150 150 GLN NE2 N 15 112.490 0.000 . . . . . . . 150 Q NE2 . 52073 1 1884 . 1 . 1 151 151 GLY H H 1 8.913 0.000 . . . . . . . 151 G H . 52073 1 1885 . 1 . 1 151 151 GLY HA2 H 1 3.803 0.000 . . . . . . . 151 G HA2 . 52073 1 1886 . 1 . 1 151 151 GLY HA3 H 1 4.058 0.000 . . . . . . . 151 G HA3 . 52073 1 1887 . 1 . 1 151 151 GLY C C 13 173.448 0.000 . . . . . . . 151 G C . 52073 1 1888 . 1 . 1 151 151 GLY CA C 13 46.871 0.000 . . . . . . . 151 G CA . 52073 1 1889 . 1 . 1 151 151 GLY N N 15 115.088 0.000 . . . . . . . 151 G N . 52073 1 1890 . 1 . 1 152 152 VAL H H 1 7.065 0.000 . . . . . . . 152 V H . 52073 1 1891 . 1 . 1 152 152 VAL HA H 1 3.204 0.000 . . . . . . . 152 V HA . 52073 1 1892 . 1 . 1 152 152 VAL HB H 1 1.800 0.000 . . . . . . . 152 V HB . 52073 1 1893 . 1 . 1 152 152 VAL HG11 H 1 0.929 0.000 . . . . . . . 152 V QG1 . 52073 1 1894 . 1 . 1 152 152 VAL HG12 H 1 0.929 0.000 . . . . . . . 152 V QG1 . 52073 1 1895 . 1 . 1 152 152 VAL HG13 H 1 0.929 0.000 . . . . . . . 152 V QG1 . 52073 1 1896 . 1 . 1 152 152 VAL HG21 H 1 0.766 0.000 . . . . . . . 152 V QG2 . 52073 1 1897 . 1 . 1 152 152 VAL HG22 H 1 0.766 0.000 . . . . . . . 152 V QG2 . 52073 1 1898 . 1 . 1 152 152 VAL HG23 H 1 0.766 0.000 . . . . . . . 152 V QG2 . 52073 1 1899 . 1 . 1 152 152 VAL C C 13 176.615 0.000 . . . . . . . 152 V C . 52073 1 1900 . 1 . 1 152 152 VAL CA C 13 68.267 0.000 . . . . . . . 152 V CA . 52073 1 1901 . 1 . 1 152 152 VAL CB C 13 31.645 0.000 . . . . . . . 152 V CB . 52073 1 1902 . 1 . 1 152 152 VAL CG1 C 13 20.930 0.000 . . . . . . . 152 V CG1 . 52073 1 1903 . 1 . 1 152 152 VAL CG2 C 13 24.150 0.000 . . . . . . . 152 V CG2 . 52073 1 1904 . 1 . 1 152 152 VAL N N 15 120.322 0.000 . . . . . . . 152 V N . 52073 1 1905 . 1 . 1 153 153 ASP H H 1 7.990 0.000 . . . . . . . 153 D H . 52073 1 1906 . 1 . 1 153 153 ASP HA H 1 3.850 0.000 . . . . . . . 153 D HA . 52073 1 1907 . 1 . 1 153 153 ASP HB2 H 1 1.841 0.000 . . . . . . . 153 D HB2 . 52073 1 1908 . 1 . 1 153 153 ASP HB3 H 1 2.200 0.000 . . . . . . . 153 D HB3 . 52073 1 1909 . 1 . 1 153 153 ASP C C 13 177.181 0.000 . . . . . . . 153 D C . 52073 1 1910 . 1 . 1 153 153 ASP CA C 13 57.536 0.000 . . . . . . . 153 D CA . 52073 1 1911 . 1 . 1 153 153 ASP CB C 13 39.330 0.000 . . . . . . . 153 D CB . 52073 1 1912 . 1 . 1 153 153 ASP N N 15 117.268 0.000 . . . . . . . 153 D N . 52073 1 1913 . 1 . 1 154 154 ASP H H 1 8.061 0.000 . . . . . . . 154 D H . 52073 1 1914 . 1 . 1 154 154 ASP HA H 1 4.142 0.000 . . . . . . . 154 D HA . 52073 1 1915 . 1 . 1 154 154 ASP HB2 H 1 2.427 0.000 . . . . . . . 154 D HB2 . 52073 1 1916 . 1 . 1 154 154 ASP HB3 H 1 2.479 0.000 . . . . . . . 154 D HB3 . 52073 1 1917 . 1 . 1 154 154 ASP C C 13 179.379 0.000 . . . . . . . 154 D C . 52073 1 1918 . 1 . 1 154 154 ASP CA C 13 57.226 0.000 . . . . . . . 154 D CA . 52073 1 1919 . 1 . 1 154 154 ASP CB C 13 40.233 0.000 . . . . . . . 154 D CB . 52073 1 1920 . 1 . 1 154 154 ASP N N 15 116.203 0.000 . . . . . . . 154 D N . 52073 1 1921 . 1 . 1 155 155 ALA H H 1 8.570 0.000 . . . . . . . 155 A H . 52073 1 1922 . 1 . 1 155 155 ALA HA H 1 3.721 0.000 . . . . . . . 155 A HA . 52073 1 1923 . 1 . 1 155 155 ALA HB1 H 1 1.111 0.000 . . . . . . . 155 A HB# . 52073 1 1924 . 1 . 1 155 155 ALA HB2 H 1 1.111 0.000 . . . . . . . 155 A HB# . 52073 1 1925 . 1 . 1 155 155 ALA HB3 H 1 1.111 0.000 . . . . . . . 155 A HB# . 52073 1 1926 . 1 . 1 155 155 ALA C C 13 177.861 0.000 . . . . . . . 155 A C . 52073 1 1927 . 1 . 1 155 155 ALA CA C 13 56.341 0.000 . . . . . . . 155 A CA . 52073 1 1928 . 1 . 1 155 155 ALA CB C 13 17.390 0.000 . . . . . . . 155 A CB . 52073 1 1929 . 1 . 1 155 155 ALA N N 15 124.686 0.000 . . . . . . . 155 A N . 52073 1 1930 . 1 . 1 156 156 PHE H H 1 7.239 0.000 . . . . . . . 156 F H . 52073 1 1931 . 1 . 1 156 156 PHE HA H 1 3.918 0.000 . . . . . . . 156 F HA . 52073 1 1932 . 1 . 1 156 156 PHE HB2 H 1 2.854 0.000 . . . . . . . 156 F HB2 . 52073 1 1933 . 1 . 1 156 156 PHE HB3 H 1 2.658 0.000 . . . . . . . 156 F HB3 . 52073 1 1934 . 1 . 1 156 156 PHE HD1 H 1 7.378 0.000 . . . . . . . 156 F QD . 52073 1 1935 . 1 . 1 156 156 PHE HD2 H 1 7.378 0.000 . . . . . . . 156 F QD . 52073 1 1936 . 1 . 1 156 156 PHE HE1 H 1 6.920 0.000 . . . . . . . 156 F QE . 52073 1 1937 . 1 . 1 156 156 PHE HE2 H 1 6.920 0.000 . . . . . . . 156 F QE . 52073 1 1938 . 1 . 1 156 156 PHE HZ H 1 6.943 0.000 . . . . . . . 156 F HZ . 52073 1 1939 . 1 . 1 156 156 PHE C C 13 178.097 0.000 . . . . . . . 156 F C . 52073 1 1940 . 1 . 1 156 156 PHE CA C 13 62.943 0.000 . . . . . . . 156 F CA . 52073 1 1941 . 1 . 1 156 156 PHE CB C 13 39.323 0.000 . . . . . . . 156 F CB . 52073 1 1942 . 1 . 1 156 156 PHE CD1 C 13 132.375 0.000 . . . . . . . 156 F CD1 . 52073 1 1943 . 1 . 1 156 156 PHE CD2 C 13 132.375 0.000 . . . . . . . 156 F CD2 . 52073 1 1944 . 1 . 1 156 156 PHE CE1 C 13 131.057 0.000 . . . . . . . 156 F CE1 . 52073 1 1945 . 1 . 1 156 156 PHE CE2 C 13 131.057 0.000 . . . . . . . 156 F CE2 . 52073 1 1946 . 1 . 1 156 156 PHE CZ C 13 129.305 0.000 . . . . . . . 156 F CZ . 52073 1 1947 . 1 . 1 156 156 PHE N N 15 112.896 0.000 . . . . . . . 156 F N . 52073 1 1948 . 1 . 1 157 157 TYR H H 1 9.559 0.000 . . . . . . . 157 Y H . 52073 1 1949 . 1 . 1 157 157 TYR HA H 1 4.306 0.000 . . . . . . . 157 Y HA . 52073 1 1950 . 1 . 1 157 157 TYR HB2 H 1 2.926 0.000 . . . . . . . 157 Y HB2 . 52073 1 1951 . 1 . 1 157 157 TYR HB3 H 1 3.283 0.000 . . . . . . . 157 Y HB3 . 52073 1 1952 . 1 . 1 157 157 TYR HE1 H 1 6.676 0.000 . . . . . . . 157 Y QE . 52073 1 1953 . 1 . 1 157 157 TYR HE2 H 1 6.676 0.000 . . . . . . . 157 Y QE . 52073 1 1954 . 1 . 1 157 157 TYR C C 13 179.031 0.000 . . . . . . . 157 Y C . 52073 1 1955 . 1 . 1 157 157 TYR CA C 13 58.686 0.000 . . . . . . . 157 Y CA . 52073 1 1956 . 1 . 1 157 157 TYR CB C 13 35.511 0.000 . . . . . . . 157 Y CB . 52073 1 1957 . 1 . 1 157 157 TYR CE1 C 13 117.524 0.000 . . . . . . . 157 Y CE1 . 52073 1 1958 . 1 . 1 157 157 TYR CE2 C 13 117.524 0.000 . . . . . . . 157 Y CE2 . 52073 1 1959 . 1 . 1 157 157 TYR N N 15 119.666 0.000 . . . . . . . 157 Y N . 52073 1 1960 . 1 . 1 158 158 THR H H 1 8.601 0.000 . . . . . . . 158 T H . 52073 1 1961 . 1 . 1 158 158 THR HA H 1 3.888 0.000 . . . . . . . 158 T HA . 52073 1 1962 . 1 . 1 158 158 THR HB H 1 4.233 0.000 . . . . . . . 158 T HB . 52073 1 1963 . 1 . 1 158 158 THR HG21 H 1 1.203 0.000 . . . . . . . 158 T QG2 . 52073 1 1964 . 1 . 1 158 158 THR HG22 H 1 1.203 0.000 . . . . . . . 158 T QG2 . 52073 1 1965 . 1 . 1 158 158 THR HG23 H 1 1.203 0.000 . . . . . . . 158 T QG2 . 52073 1 1966 . 1 . 1 158 158 THR C C 13 175.734 0.000 . . . . . . . 158 T C . 52073 1 1967 . 1 . 1 158 158 THR CA C 13 67.549 0.000 . . . . . . . 158 T CA . 52073 1 1968 . 1 . 1 158 158 THR CB C 13 67.954 0.000 . . . . . . . 158 T CB . 52073 1 1969 . 1 . 1 158 158 THR CG2 C 13 21.434 0.000 . . . . . . . 158 T CG2 . 52073 1 1970 . 1 . 1 158 158 THR N N 15 116.529 0.000 . . . . . . . 158 T N . 52073 1 1971 . 1 . 1 159 159 LEU H H 1 7.299 0.000 . . . . . . . 159 L H . 52073 1 1972 . 1 . 1 159 159 LEU HA H 1 3.892 0.000 . . . . . . . 159 L HA . 52073 1 1973 . 1 . 1 159 159 LEU HB2 H 1 1.241 0.000 . . . . . . . 159 L HB2 . 52073 1 1974 . 1 . 1 159 159 LEU HB3 H 1 2.136 0.000 . . . . . . . 159 L HB3 . 52073 1 1975 . 1 . 1 159 159 LEU HG H 1 1.390 0.000 . . . . . . . 159 L HG . 52073 1 1976 . 1 . 1 159 159 LEU HD11 H 1 0.829 0.000 . . . . . . . 159 L QD1 . 52073 1 1977 . 1 . 1 159 159 LEU HD12 H 1 0.829 0.000 . . . . . . . 159 L QD1 . 52073 1 1978 . 1 . 1 159 159 LEU HD13 H 1 0.829 0.000 . . . . . . . 159 L QD1 . 52073 1 1979 . 1 . 1 159 159 LEU HD21 H 1 0.690 0.000 . . . . . . . 159 L QD2 . 52073 1 1980 . 1 . 1 159 159 LEU HD22 H 1 0.690 0.000 . . . . . . . 159 L QD2 . 52073 1 1981 . 1 . 1 159 159 LEU HD23 H 1 0.690 0.000 . . . . . . . 159 L QD2 . 52073 1 1982 . 1 . 1 159 159 LEU C C 13 177.661 0.000 . . . . . . . 159 L C . 52073 1 1983 . 1 . 1 159 159 LEU CA C 13 57.989 0.000 . . . . . . . 159 L CA . 52073 1 1984 . 1 . 1 159 159 LEU CB C 13 40.191 0.000 . . . . . . . 159 L CB . 52073 1 1985 . 1 . 1 159 159 LEU CG C 13 26.453 0.000 . . . . . . . 159 L CG . 52073 1 1986 . 1 . 1 159 159 LEU CD1 C 13 21.572 0.000 . . . . . . . 159 L CD1 . 52073 1 1987 . 1 . 1 159 159 LEU CD2 C 13 27.437 0.000 . . . . . . . 159 L CD2 . 52073 1 1988 . 1 . 1 159 159 LEU N N 15 121.944 0.000 . . . . . . . 159 L N . 52073 1 1989 . 1 . 1 160 160 VAL H H 1 7.672 0.000 . . . . . . . 160 V H . 52073 1 1990 . 1 . 1 160 160 VAL HA H 1 3.052 0.000 . . . . . . . 160 V HA . 52073 1 1991 . 1 . 1 160 160 VAL HB H 1 2.058 0.000 . . . . . . . 160 V HB . 52073 1 1992 . 1 . 1 160 160 VAL HG11 H 1 0.077 0.000 . . . . . . . 160 V QG1 . 52073 1 1993 . 1 . 1 160 160 VAL HG12 H 1 0.077 0.000 . . . . . . . 160 V QG1 . 52073 1 1994 . 1 . 1 160 160 VAL HG13 H 1 0.077 0.000 . . . . . . . 160 V QG1 . 52073 1 1995 . 1 . 1 160 160 VAL HG21 H 1 0.700 0.000 . . . . . . . 160 V QG2 . 52073 1 1996 . 1 . 1 160 160 VAL HG22 H 1 0.700 0.000 . . . . . . . 160 V QG2 . 52073 1 1997 . 1 . 1 160 160 VAL HG23 H 1 0.700 0.000 . . . . . . . 160 V QG2 . 52073 1 1998 . 1 . 1 160 160 VAL C C 13 177.589 0.000 . . . . . . . 160 V C . 52073 1 1999 . 1 . 1 160 160 VAL CA C 13 67.619 0.000 . . . . . . . 160 V CA . 52073 1 2000 . 1 . 1 160 160 VAL CB C 13 30.786 0.000 . . . . . . . 160 V CB . 52073 1 2001 . 1 . 1 160 160 VAL CG1 C 13 19.854 0.000 . . . . . . . 160 V CG1 . 52073 1 2002 . 1 . 1 160 160 VAL CG2 C 13 23.931 0.000 . . . . . . . 160 V CG2 . 52073 1 2003 . 1 . 1 160 160 VAL N N 15 119.761 0.000 . . . . . . . 160 V N . 52073 1 2004 . 1 . 1 161 161 ARG H H 1 8.122 0.000 . . . . . . . 161 R H . 52073 1 2005 . 1 . 1 161 161 ARG HA H 1 3.784 0.000 . . . . . . . 161 R HA . 52073 1 2006 . 1 . 1 161 161 ARG HB2 H 1 2.070 0.010 . . . . . . . 161 R HB2 . 52073 1 2007 . 1 . 1 161 161 ARG HB3 H 1 2.070 0.000 . . . . . . . 161 R HB3 . 52073 1 2008 . 1 . 1 161 161 ARG HG2 H 1 1.551 0.000 . . . . . . . 161 R HG2 . 52073 1 2009 . 1 . 1 161 161 ARG HG3 H 1 1.790 0.000 . . . . . . . 161 R HG3 . 52073 1 2010 . 1 . 1 161 161 ARG HD2 H 1 3.145 0.010 . . . . . . . 161 R HD2 . 52073 1 2011 . 1 . 1 161 161 ARG HD3 H 1 3.145 0.000 . . . . . . . 161 R HD3 . 52073 1 2012 . 1 . 1 161 161 ARG HE H 1 8.948 0.000 . . . . . . . 161 R HE . 52073 1 2013 . 1 . 1 161 161 ARG C C 13 179.635 0.000 . . . . . . . 161 R C . 52073 1 2014 . 1 . 1 161 161 ARG CA C 13 60.903 0.000 . . . . . . . 161 R CA . 52073 1 2015 . 1 . 1 161 161 ARG CB C 13 29.523 0.000 . . . . . . . 161 R CB . 52073 1 2016 . 1 . 1 161 161 ARG CG C 13 29.117 0.000 . . . . . . . 161 R CG . 52073 1 2017 . 1 . 1 161 161 ARG CD C 13 43.770 0.000 . . . . . . . 161 R CD . 52073 1 2018 . 1 . 1 161 161 ARG N N 15 118.747 0.000 . . . . . . . 161 R N . 52073 1 2019 . 1 . 1 161 161 ARG NE N 15 88.482 0.000 . . . . . . . 161 R NE . 52073 1 2020 . 1 . 1 162 162 GLU H H 1 8.283 0.000 . . . . . . . 162 E H . 52073 1 2021 . 1 . 1 162 162 GLU HA H 1 4.094 0.000 . . . . . . . 162 E HA . 52073 1 2022 . 1 . 1 162 162 GLU HB2 H 1 2.423 0.000 . . . . . . . 162 E HB2 . 52073 1 2023 . 1 . 1 162 162 GLU HB3 H 1 2.236 0.000 . . . . . . . 162 E HB3 . 52073 1 2024 . 1 . 1 162 162 GLU HG2 H 1 2.506 0.010 . . . . . . . 162 E HG2 . 52073 1 2025 . 1 . 1 162 162 GLU HG3 H 1 2.506 0.000 . . . . . . . 162 E HG3 . 52073 1 2026 . 1 . 1 162 162 GLU C C 13 179.749 0.000 . . . . . . . 162 E C . 52073 1 2027 . 1 . 1 162 162 GLU CA C 13 58.994 0.000 . . . . . . . 162 E CA . 52073 1 2028 . 1 . 1 162 162 GLU CB C 13 30.402 0.000 . . . . . . . 162 E CB . 52073 1 2029 . 1 . 1 162 162 GLU CG C 13 36.920 0.000 . . . . . . . 162 E CG . 52073 1 2030 . 1 . 1 162 162 GLU N N 15 119.188 0.000 . . . . . . . 162 E N . 52073 1 2031 . 1 . 1 163 163 ILE H H 1 8.401 0.000 . . . . . . . 163 I H . 52073 1 2032 . 1 . 1 163 163 ILE HA H 1 3.634 0.000 . . . . . . . 163 I HA . 52073 1 2033 . 1 . 1 163 163 ILE HB H 1 1.994 0.000 . . . . . . . 163 I HB . 52073 1 2034 . 1 . 1 163 163 ILE HG12 H 1 0.854 0.000 . . . . . . . 163 I HG12 . 52073 1 2035 . 1 . 1 163 163 ILE HG13 H 1 1.819 0.000 . . . . . . . 163 I HG13 . 52073 1 2036 . 1 . 1 163 163 ILE HG21 H 1 1.081 0.000 . . . . . . . 163 I QG2 . 52073 1 2037 . 1 . 1 163 163 ILE HG22 H 1 1.081 0.000 . . . . . . . 163 I QG2 . 52073 1 2038 . 1 . 1 163 163 ILE HG23 H 1 1.081 0.000 . . . . . . . 163 I QG2 . 52073 1 2039 . 1 . 1 163 163 ILE HD11 H 1 0.644 0.000 . . . . . . . 163 I QD1 . 52073 1 2040 . 1 . 1 163 163 ILE HD12 H 1 0.644 0.000 . . . . . . . 163 I QD1 . 52073 1 2041 . 1 . 1 163 163 ILE HD13 H 1 0.644 0.000 . . . . . . . 163 I QD1 . 52073 1 2042 . 1 . 1 163 163 ILE C C 13 178.774 0.000 . . . . . . . 163 I C . 52073 1 2043 . 1 . 1 163 163 ILE CA C 13 66.344 0.000 . . . . . . . 163 I CA . 52073 1 2044 . 1 . 1 163 163 ILE CB C 13 38.072 0.000 . . . . . . . 163 I CB . 52073 1 2045 . 1 . 1 163 163 ILE CG1 C 13 28.462 0.000 . . . . . . . 163 I CG1 . 52073 1 2046 . 1 . 1 163 163 ILE CG2 C 13 18.078 0.000 . . . . . . . 163 I CG2 . 52073 1 2047 . 1 . 1 163 163 ILE CD1 C 13 15.752 0.000 . . . . . . . 163 I CD1 . 52073 1 2048 . 1 . 1 163 163 ILE N N 15 123.196 0.000 . . . . . . . 163 I N . 52073 1 2049 . 1 . 1 164 164 ARG H H 1 8.629 0.000 . . . . . . . 164 R H . 52073 1 2050 . 1 . 1 164 164 ARG HA H 1 4.011 0.000 . . . . . . . 164 R HA . 52073 1 2051 . 1 . 1 164 164 ARG HB2 H 1 1.927 0.000 . . . . . . . 164 R HB2 . 52073 1 2052 . 1 . 1 164 164 ARG HB3 H 1 1.992 0.000 . . . . . . . 164 R HB3 . 52073 1 2053 . 1 . 1 164 164 ARG HG2 H 1 1.839 0.000 . . . . . . . 164 R HG2 . 52073 1 2054 . 1 . 1 164 164 ARG HG3 H 1 1.801 0.000 . . . . . . . 164 R HG3 . 52073 1 2055 . 1 . 1 164 164 ARG HD2 H 1 3.046 0.000 . . . . . . . 164 R HD2 . 52073 1 2056 . 1 . 1 164 164 ARG HD3 H 1 3.117 0.000 . . . . . . . 164 R HD3 . 52073 1 2057 . 1 . 1 164 164 ARG HE H 1 6.774 0.000 . . . . . . . 164 R HE . 52073 1 2058 . 1 . 1 164 164 ARG C C 13 178.907 0.000 . . . . . . . 164 R C . 52073 1 2059 . 1 . 1 164 164 ARG CA C 13 60.195 0.000 . . . . . . . 164 R CA . 52073 1 2060 . 1 . 1 164 164 ARG CB C 13 30.686 0.000 . . . . . . . 164 R CB . 52073 1 2061 . 1 . 1 164 164 ARG CG C 13 27.486 0.000 . . . . . . . 164 R CG . 52073 1 2062 . 1 . 1 164 164 ARG CD C 13 44.668 0.000 . . . . . . . 164 R CD . 52073 1 2063 . 1 . 1 164 164 ARG N N 15 119.660 0.000 . . . . . . . 164 R N . 52073 1 2064 . 1 . 1 164 164 ARG NE N 15 84.459 0.000 . . . . . . . 164 R NE . 52073 1 2065 . 1 . 1 165 165 LYS H H 1 7.848 0.000 . . . . . . . 165 K H . 52073 1 2066 . 1 . 1 165 165 LYS HA H 1 4.123 0.000 . . . . . . . 165 K HA . 52073 1 2067 . 1 . 1 165 165 LYS HB2 H 1 1.901 0.000 . . . . . . . 165 K HB2 . 52073 1 2068 . 1 . 1 165 165 LYS HB3 H 1 1.931 0.000 . . . . . . . 165 K HB3 . 52073 1 2069 . 1 . 1 165 165 LYS HG2 H 1 1.592 0.000 . . . . . . . 165 K HG2 . 52073 1 2070 . 1 . 1 165 165 LYS HG3 H 1 1.592 0.010 . . . . . . . 165 K HG3 . 52073 1 2071 . 1 . 1 165 165 LYS HD2 H 1 1.706 0.000 . . . . . . . 165 K HD2 . 52073 1 2072 . 1 . 1 165 165 LYS HD3 H 1 1.706 0.000 . . . . . . . 165 K HD3 . 52073 1 2073 . 1 . 1 165 165 LYS HE2 H 1 2.921 0.010 . . . . . . . 165 K HE2 . 52073 1 2074 . 1 . 1 165 165 LYS HE3 H 1 2.921 0.000 . . . . . . . 165 K HE3 . 52073 1 2075 . 1 . 1 165 165 LYS C C 13 178.208 0.000 . . . . . . . 165 K C . 52073 1 2076 . 1 . 1 165 165 LYS CA C 13 58.958 0.000 . . . . . . . 165 K CA . 52073 1 2077 . 1 . 1 165 165 LYS CB C 13 32.727 0.000 . . . . . . . 165 K CB . 52073 1 2078 . 1 . 1 165 165 LYS CG C 13 25.040 0.000 . . . . . . . 165 K CG . 52073 1 2079 . 1 . 1 165 165 LYS CD C 13 29.653 0.000 . . . . . . . 165 K CD . 52073 1 2080 . 1 . 1 165 165 LYS CE C 13 41.990 0.000 . . . . . . . 165 K CE . 52073 1 2081 . 1 . 1 165 165 LYS N N 15 117.122 0.000 . . . . . . . 165 K N . 52073 1 2082 . 1 . 1 166 166 HIS H H 1 7.816 0.000 . . . . . . . 166 H H . 52073 1 2083 . 1 . 1 166 166 HIS HA H 1 4.504 0.000 . . . . . . . 166 H HA . 52073 1 2084 . 1 . 1 166 166 HIS HB2 H 1 3.610 0.000 . . . . . . . 166 H HB2 . 52073 1 2085 . 1 . 1 166 166 HIS HB3 H 1 3.311 0.000 . . . . . . . 166 H HB3 . 52073 1 2086 . 1 . 1 166 166 HIS HD2 H 1 7.468 0.000 . . . . . . . 166 H HD2 . 52073 1 2087 . 1 . 1 166 166 HIS HE1 H 1 8.624 0.000 . . . . . . . 166 H HE1 . 52073 1 2088 . 1 . 1 166 166 HIS C C 13 175.413 0.000 . . . . . . . 166 H C . 52073 1 2089 . 1 . 1 166 166 HIS CA C 13 57.735 0.000 . . . . . . . 166 H CA . 52073 1 2090 . 1 . 1 166 166 HIS CB C 13 29.232 0.000 . . . . . . . 166 H CB . 52073 1 2091 . 1 . 1 166 166 HIS CD2 C 13 120.686 0.000 . . . . . . . 166 H CD2 . 52073 1 2092 . 1 . 1 166 166 HIS CE1 C 13 137.155 0.000 . . . . . . . 166 H CE1 . 52073 1 2093 . 1 . 1 166 166 HIS N N 15 116.779 0.000 . . . . . . . 166 H N . 52073 1 2094 . 1 . 1 167 167 LYS H H 1 7.984 0.000 . . . . . . . 167 K H . 52073 1 2095 . 1 . 1 167 167 LYS HA H 1 4.317 0.000 . . . . . . . 167 K HA . 52073 1 2096 . 1 . 1 167 167 LYS HB2 H 1 1.959 0.000 . . . . . . . 167 K HB2 . 52073 1 2097 . 1 . 1 167 167 LYS HB3 H 1 2.004 0.000 . . . . . . . 167 K HB3 . 52073 1 2098 . 1 . 1 167 167 LYS HG2 H 1 1.570 0.000 . . . . . . . 167 K HG2 . 52073 1 2099 . 1 . 1 167 167 LYS HG3 H 1 1.742 0.000 . . . . . . . 167 K HG3 . 52073 1 2100 . 1 . 1 167 167 LYS HD2 H 1 1.750 0.000 . . . . . . . 167 K HD2 . 52073 1 2101 . 1 . 1 167 167 LYS HD3 H 1 1.785 0.000 . . . . . . . 167 K HD3 . 52073 1 2102 . 1 . 1 167 167 LYS HE2 H 1 3.008 0.010 . . . . . . . 167 K HE2 . 52073 1 2103 . 1 . 1 167 167 LYS HE3 H 1 3.008 0.000 . . . . . . . 167 K HE3 . 52073 1 2104 . 1 . 1 167 167 LYS C C 13 176.798 0.000 . . . . . . . 167 K C . 52073 1 2105 . 1 . 1 167 167 LYS CA C 13 57.395 0.000 . . . . . . . 167 K CA . 52073 1 2106 . 1 . 1 167 167 LYS CB C 13 33.325 0.000 . . . . . . . 167 K CB . 52073 1 2107 . 1 . 1 167 167 LYS CG C 13 25.251 0.000 . . . . . . . 167 K CG . 52073 1 2108 . 1 . 1 167 167 LYS CD C 13 29.512 0.000 . . . . . . . 167 K CD . 52073 1 2109 . 1 . 1 167 167 LYS CE C 13 42.020 0.000 . . . . . . . 167 K CE . 52073 1 2110 . 1 . 1 167 167 LYS N N 15 119.797 0.000 . . . . . . . 167 K N . 52073 1 2111 . 1 . 1 168 168 GLU H H 1 7.974 0.000 . . . . . . . 168 E H . 52073 1 2112 . 1 . 1 168 168 GLU HA H 1 4.314 0.000 . . . . . . . 168 E HA . 52073 1 2113 . 1 . 1 168 168 GLU HB2 H 1 2.019 0.000 . . . . . . . 168 E HB2 . 52073 1 2114 . 1 . 1 168 168 GLU HB3 H 1 2.153 0.000 . . . . . . . 168 E HB3 . 52073 1 2115 . 1 . 1 168 168 GLU HG2 H 1 2.339 0.010 . . . . . . . 168 E HG2 . 52073 1 2116 . 1 . 1 168 168 GLU HG3 H 1 2.432 0.000 . . . . . . . 168 E HG3 . 52073 1 2117 . 1 . 1 168 168 GLU C C 13 175.568 0.000 . . . . . . . 168 E C . 52073 1 2118 . 1 . 1 168 168 GLU CA C 13 56.672 0.000 . . . . . . . 168 E CA . 52073 1 2119 . 1 . 1 168 168 GLU CB C 13 30.124 0.000 . . . . . . . 168 E CB . 52073 1 2120 . 1 . 1 168 168 GLU CG C 13 36.250 0.000 . . . . . . . 168 E CG . 52073 1 2121 . 1 . 1 168 168 GLU N N 15 120.338 0.000 . . . . . . . 168 E N . 52073 1 2122 . 1 . 1 169 169 LYS H H 1 7.706 0.000 . . . . . . . 169 K H . 52073 1 2123 . 1 . 1 169 169 LYS HA H 1 4.142 0.000 . . . . . . . 169 K HA . 52073 1 2124 . 1 . 1 169 169 LYS HB2 H 1 1.762 0.000 . . . . . . . 169 K HB2 . 52073 1 2125 . 1 . 1 169 169 LYS HB3 H 1 1.845 0.000 . . . . . . . 169 K HB3 . 52073 1 2126 . 1 . 1 169 169 LYS HG2 H 1 1.446 0.000 . . . . . . . 169 K HG2 . 52073 1 2127 . 1 . 1 169 169 LYS HG3 H 1 1.446 0.010 . . . . . . . 169 K HG3 . 52073 1 2128 . 1 . 1 169 169 LYS HD2 H 1 1.447 0.000 . . . . . . . 169 K HD2 . 52073 1 2129 . 1 . 1 169 169 LYS HD3 H 1 1.690 0.000 . . . . . . . 169 K HD3 . 52073 1 2130 . 1 . 1 169 169 LYS HE2 H 1 3.008 0.000 . . . . . . . 169 K HE2 . 52073 1 2131 . 1 . 1 169 169 LYS HE3 H 1 3.008 0.000 . . . . . . . 169 K HE3 . 52073 1 2132 . 1 . 1 169 169 LYS C C 13 181.323 0.000 . . . . . . . 169 K C . 52073 1 2133 . 1 . 1 169 169 LYS CA C 13 57.983 0.000 . . . . . . . 169 K CA . 52073 1 2134 . 1 . 1 169 169 LYS CB C 13 33.586 0.000 . . . . . . . 169 K CB . 52073 1 2135 . 1 . 1 169 169 LYS CG C 13 24.834 0.000 . . . . . . . 169 K CG . 52073 1 2136 . 1 . 1 169 169 LYS CD C 13 29.293 0.000 . . . . . . . 169 K CD . 52073 1 2137 . 1 . 1 169 169 LYS CE C 13 42.187 0.000 . . . . . . . 169 K CE . 52073 1 2138 . 1 . 1 169 169 LYS N N 15 126.600 0.000 . . . . . . . 169 K N . 52073 1 stop_ save_