data_27646 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27646 _Entry.Title ; Full assignment of 13C,15N-labeled oncogenic mutant KRas-G12C(1-169) bound to GDP in physiological pH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-12 _Entry.Accession_date 2018-10-12 _Entry.Last_release_date 2018-10-12 _Entry.Original_release_date 2018-10-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 'KRas-G12C_1-169 in GDP-bound form, pH = 7.4' _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 Gyula Palfy . . . . 27646 2 Istvan Vida . . . . 27646 3 Andras Perczel . . . . 27646 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Eotvos Lorand University, Laboratory of Structural Chemistry and Biology, Hungary' . 27646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27646 heteronucl_NOEs 1 27646 heteronucl_T1_relaxation 1 27646 heteronucl_T2_relaxation 1 27646 order_parameters 1 27646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 619 27646 '15N chemical shifts' 164 27646 '1H chemical shifts' 348 27646 'T1 relaxation values' 138 27646 'T2 relaxation values' 138 27646 'heteronuclear NOE values' 138 27646 'order parameters' 154 27646 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 3 . . 2020-04-07 2018-10-12 update BMRB 'update entry citation' 27646 2 . . 2020-01-31 2018-10-12 update author 'update entry citation, add T1, T2, NOE, and S2 data' 27646 1 . . 2019-07-29 2018-10-12 original author 'original release' 27646 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27646 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31468366 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N backbone assignment and comparative analysis of the wild type and G12C, G12D, G12V mutants of K-Ras bound to GDP at physiological pH ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 1 _Citation.Page_last 7 _Citation.Year 2020 _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 Gyula Palfy . . . . 27646 1 2 Istvan Vida . . . . 27646 1 3 Andras Perczel . . . . 27646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27646 _Assembly.ID 1 _Assembly.Name KRas-G12C(1-169)-GDP _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KRas-G12C(1-169) 1 $K-Ras-G12C(1-169) A . yes native no no . . . 27646 1 2 Mg2+ 2 $entity_MG B . no native no no . . . 27646 1 3 GDP 3 $entity_GDP C . no native no no . . . 27646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K-Ras-G12C(1-169) _Entity.Sf_category entity _Entity.Sf_framecode K-Ras-G12C(1-169) _Entity.Entry_ID 27646 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K-Ras-G12C(1-169) _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 ; GHMTEYKLVVVGACGVGKSA LTIQLIQNHFVDEYDPTIED SYRKQVVIDGETCLLDILDT AGQEEYSAMRDQYMRTGEGF LCVFAINNTKSFEDIHHYRE QIKRVKDSEDVPMVLVGNKC DLPSRTVDTKQAQDLARSYG IPFIETSAKTRQGVDDAFYT LVREIRKHKEK ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation G12C _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 -1 GLY . 27646 1 2 0 HIS . 27646 1 3 1 MET . 27646 1 4 2 THR . 27646 1 5 3 GLU . 27646 1 6 4 TYR . 27646 1 7 5 LYS . 27646 1 8 6 LEU . 27646 1 9 7 VAL . 27646 1 10 8 VAL . 27646 1 11 9 VAL . 27646 1 12 10 GLY . 27646 1 13 11 ALA . 27646 1 14 12 CYS . 27646 1 15 13 GLY . 27646 1 16 14 VAL . 27646 1 17 15 GLY . 27646 1 18 16 LYS . 27646 1 19 17 SER . 27646 1 20 18 ALA . 27646 1 21 19 LEU . 27646 1 22 20 THR . 27646 1 23 21 ILE . 27646 1 24 22 GLN . 27646 1 25 23 LEU . 27646 1 26 24 ILE . 27646 1 27 25 GLN . 27646 1 28 26 ASN . 27646 1 29 27 HIS . 27646 1 30 28 PHE . 27646 1 31 29 VAL . 27646 1 32 30 ASP . 27646 1 33 31 GLU . 27646 1 34 32 TYR . 27646 1 35 33 ASP . 27646 1 36 34 PRO . 27646 1 37 35 THR . 27646 1 38 36 ILE . 27646 1 39 37 GLU . 27646 1 40 38 ASP . 27646 1 41 39 SER . 27646 1 42 40 TYR . 27646 1 43 41 ARG . 27646 1 44 42 LYS . 27646 1 45 43 GLN . 27646 1 46 44 VAL . 27646 1 47 45 VAL . 27646 1 48 46 ILE . 27646 1 49 47 ASP . 27646 1 50 48 GLY . 27646 1 51 49 GLU . 27646 1 52 50 THR . 27646 1 53 51 CYS . 27646 1 54 52 LEU . 27646 1 55 53 LEU . 27646 1 56 54 ASP . 27646 1 57 55 ILE . 27646 1 58 56 LEU . 27646 1 59 57 ASP . 27646 1 60 58 THR . 27646 1 61 59 ALA . 27646 1 62 60 GLY . 27646 1 63 61 GLN . 27646 1 64 62 GLU . 27646 1 65 63 GLU . 27646 1 66 64 TYR . 27646 1 67 65 SER . 27646 1 68 66 ALA . 27646 1 69 67 MET . 27646 1 70 68 ARG . 27646 1 71 69 ASP . 27646 1 72 70 GLN . 27646 1 73 71 TYR . 27646 1 74 72 MET . 27646 1 75 73 ARG . 27646 1 76 74 THR . 27646 1 77 75 GLY . 27646 1 78 76 GLU . 27646 1 79 77 GLY . 27646 1 80 78 PHE . 27646 1 81 79 LEU . 27646 1 82 80 CYS . 27646 1 83 81 VAL . 27646 1 84 82 PHE . 27646 1 85 83 ALA . 27646 1 86 84 ILE . 27646 1 87 85 ASN . 27646 1 88 86 ASN . 27646 1 89 87 THR . 27646 1 90 88 LYS . 27646 1 91 89 SER . 27646 1 92 90 PHE . 27646 1 93 91 GLU . 27646 1 94 92 ASP . 27646 1 95 93 ILE . 27646 1 96 94 HIS . 27646 1 97 95 HIS . 27646 1 98 96 TYR . 27646 1 99 97 ARG . 27646 1 100 98 GLU . 27646 1 101 99 GLN . 27646 1 102 100 ILE . 27646 1 103 101 LYS . 27646 1 104 102 ARG . 27646 1 105 103 VAL . 27646 1 106 104 LYS . 27646 1 107 105 ASP . 27646 1 108 106 SER . 27646 1 109 107 GLU . 27646 1 110 108 ASP . 27646 1 111 109 VAL . 27646 1 112 110 PRO . 27646 1 113 111 MET . 27646 1 114 112 VAL . 27646 1 115 113 LEU . 27646 1 116 114 VAL . 27646 1 117 115 GLY . 27646 1 118 116 ASN . 27646 1 119 117 LYS . 27646 1 120 118 CYS . 27646 1 121 119 ASP . 27646 1 122 120 LEU . 27646 1 123 121 PRO . 27646 1 124 122 SER . 27646 1 125 123 ARG . 27646 1 126 124 THR . 27646 1 127 125 VAL . 27646 1 128 126 ASP . 27646 1 129 127 THR . 27646 1 130 128 LYS . 27646 1 131 129 GLN . 27646 1 132 130 ALA . 27646 1 133 131 GLN . 27646 1 134 132 ASP . 27646 1 135 133 LEU . 27646 1 136 134 ALA . 27646 1 137 135 ARG . 27646 1 138 136 SER . 27646 1 139 137 TYR . 27646 1 140 138 GLY . 27646 1 141 139 ILE . 27646 1 142 140 PRO . 27646 1 143 141 PHE . 27646 1 144 142 ILE . 27646 1 145 143 GLU . 27646 1 146 144 THR . 27646 1 147 145 SER . 27646 1 148 146 ALA . 27646 1 149 147 LYS . 27646 1 150 148 THR . 27646 1 151 149 ARG . 27646 1 152 150 GLN . 27646 1 153 151 GLY . 27646 1 154 152 VAL . 27646 1 155 153 ASP . 27646 1 156 154 ASP . 27646 1 157 155 ALA . 27646 1 158 156 PHE . 27646 1 159 157 TYR . 27646 1 160 158 THR . 27646 1 161 159 LEU . 27646 1 162 160 VAL . 27646 1 163 161 ARG . 27646 1 164 162 GLU . 27646 1 165 163 ILE . 27646 1 166 164 ARG . 27646 1 167 165 LYS . 27646 1 168 166 HIS . 27646 1 169 167 LYS . 27646 1 170 168 GLU . 27646 1 171 169 LYS . 27646 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27646 1 . HIS 2 2 27646 1 . MET 3 3 27646 1 . THR 4 4 27646 1 . GLU 5 5 27646 1 . TYR 6 6 27646 1 . LYS 7 7 27646 1 . LEU 8 8 27646 1 . VAL 9 9 27646 1 . VAL 10 10 27646 1 . VAL 11 11 27646 1 . GLY 12 12 27646 1 . ALA 13 13 27646 1 . CYS 14 14 27646 1 . GLY 15 15 27646 1 . VAL 16 16 27646 1 . GLY 17 17 27646 1 . LYS 18 18 27646 1 . SER 19 19 27646 1 . ALA 20 20 27646 1 . LEU 21 21 27646 1 . THR 22 22 27646 1 . ILE 23 23 27646 1 . GLN 24 24 27646 1 . LEU 25 25 27646 1 . ILE 26 26 27646 1 . GLN 27 27 27646 1 . ASN 28 28 27646 1 . HIS 29 29 27646 1 . PHE 30 30 27646 1 . VAL 31 31 27646 1 . ASP 32 32 27646 1 . GLU 33 33 27646 1 . TYR 34 34 27646 1 . ASP 35 35 27646 1 . PRO 36 36 27646 1 . THR 37 37 27646 1 . ILE 38 38 27646 1 . GLU 39 39 27646 1 . ASP 40 40 27646 1 . SER 41 41 27646 1 . TYR 42 42 27646 1 . ARG 43 43 27646 1 . LYS 44 44 27646 1 . GLN 45 45 27646 1 . VAL 46 46 27646 1 . VAL 47 47 27646 1 . ILE 48 48 27646 1 . ASP 49 49 27646 1 . GLY 50 50 27646 1 . GLU 51 51 27646 1 . THR 52 52 27646 1 . CYS 53 53 27646 1 . LEU 54 54 27646 1 . LEU 55 55 27646 1 . ASP 56 56 27646 1 . ILE 57 57 27646 1 . LEU 58 58 27646 1 . ASP 59 59 27646 1 . THR 60 60 27646 1 . ALA 61 61 27646 1 . GLY 62 62 27646 1 . GLN 63 63 27646 1 . GLU 64 64 27646 1 . GLU 65 65 27646 1 . TYR 66 66 27646 1 . SER 67 67 27646 1 . ALA 68 68 27646 1 . MET 69 69 27646 1 . ARG 70 70 27646 1 . ASP 71 71 27646 1 . GLN 72 72 27646 1 . TYR 73 73 27646 1 . MET 74 74 27646 1 . ARG 75 75 27646 1 . THR 76 76 27646 1 . GLY 77 77 27646 1 . GLU 78 78 27646 1 . GLY 79 79 27646 1 . PHE 80 80 27646 1 . LEU 81 81 27646 1 . CYS 82 82 27646 1 . VAL 83 83 27646 1 . PHE 84 84 27646 1 . ALA 85 85 27646 1 . ILE 86 86 27646 1 . ASN 87 87 27646 1 . ASN 88 88 27646 1 . THR 89 89 27646 1 . LYS 90 90 27646 1 . SER 91 91 27646 1 . PHE 92 92 27646 1 . GLU 93 93 27646 1 . ASP 94 94 27646 1 . ILE 95 95 27646 1 . HIS 96 96 27646 1 . HIS 97 97 27646 1 . TYR 98 98 27646 1 . ARG 99 99 27646 1 . GLU 100 100 27646 1 . GLN 101 101 27646 1 . ILE 102 102 27646 1 . LYS 103 103 27646 1 . ARG 104 104 27646 1 . VAL 105 105 27646 1 . LYS 106 106 27646 1 . ASP 107 107 27646 1 . SER 108 108 27646 1 . GLU 109 109 27646 1 . ASP 110 110 27646 1 . VAL 111 111 27646 1 . PRO 112 112 27646 1 . MET 113 113 27646 1 . VAL 114 114 27646 1 . LEU 115 115 27646 1 . VAL 116 116 27646 1 . GLY 117 117 27646 1 . ASN 118 118 27646 1 . LYS 119 119 27646 1 . CYS 120 120 27646 1 . ASP 121 121 27646 1 . LEU 122 122 27646 1 . PRO 123 123 27646 1 . SER 124 124 27646 1 . ARG 125 125 27646 1 . THR 126 126 27646 1 . VAL 127 127 27646 1 . ASP 128 128 27646 1 . THR 129 129 27646 1 . LYS 130 130 27646 1 . GLN 131 131 27646 1 . ALA 132 132 27646 1 . GLN 133 133 27646 1 . ASP 134 134 27646 1 . LEU 135 135 27646 1 . ALA 136 136 27646 1 . ARG 137 137 27646 1 . SER 138 138 27646 1 . TYR 139 139 27646 1 . GLY 140 140 27646 1 . ILE 141 141 27646 1 . PRO 142 142 27646 1 . PHE 143 143 27646 1 . ILE 144 144 27646 1 . GLU 145 145 27646 1 . THR 146 146 27646 1 . SER 147 147 27646 1 . ALA 148 148 27646 1 . LYS 149 149 27646 1 . THR 150 150 27646 1 . ARG 151 151 27646 1 . GLN 152 152 27646 1 . GLY 153 153 27646 1 . VAL 154 154 27646 1 . ASP 155 155 27646 1 . ASP 156 156 27646 1 . ALA 157 157 27646 1 . PHE 158 158 27646 1 . TYR 159 159 27646 1 . THR 160 160 27646 1 . LEU 161 161 27646 1 . VAL 162 162 27646 1 . ARG 163 163 27646 1 . GLU 164 164 27646 1 . ILE 165 165 27646 1 . ARG 166 166 27646 1 . LYS 167 167 27646 1 . HIS 168 168 27646 1 . LYS 169 169 27646 1 . GLU 170 170 27646 1 . LYS 171 171 27646 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 27646 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 27646 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 27646 2 MG 'Three letter code' 27646 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 27646 2 stop_ save_ save_entity_GDP _Entity.Sf_category entity _Entity.Sf_framecode entity_GDP _Entity.Entry_ID 27646 _Entity.ID 3 _Entity.BMRB_code GDP _Entity.Name entity_GDP _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 GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _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 443.201 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 27646 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID GUANOSINE-5'-DIPHOSPHATE BMRB 27646 3 GDP 'Three letter code' 27646 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 GDP $chem_comp_GDP 27646 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27646 _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 $K-Ras-G12C(1-169) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . KRas4B . . . . . . . . . KRAS 'G12C mutant in cancers' 27646 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27646 _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 $K-Ras-G12C(1-169) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21(DE3) . . . 27646 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 27646 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 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 . _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 27646 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 27646 MG [Mg++] SMILES CACTVS 3.341 27646 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 27646 MG [Mg+2] SMILES ACDLabs 10.04 27646 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 27646 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27646 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 27646 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27646 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27646 MG stop_ save_ save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 27646 _Chem_comp.ID GDP _Chem_comp.Provenance PDB _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code GDP _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2014-05-13 _Chem_comp.Modified_date 2014-05-13 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all 43 _Chem_comp.Number_atoms_nh 28 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID G _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1EK0 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 27646 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 27646 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 27646 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 12.01 27646 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 27646 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.6 27646 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 27646 GDP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 27646 GDP "guanosine 5'-(trihydrogen diphosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 27646 GDP 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 PB PB PB PB . P . . N 0 . . . 1 no no . . . . 13.635 . 17.027 . 28.402 . -5.743 -1.471 0.475 1 . 27646 GDP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 14.317 . 18.299 . 28.131 . -6.829 -0.831 -0.300 2 . 27646 GDP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 14.465 . 15.868 . 28.851 . -6.293 -1.885 1.930 3 . 27646 GDP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 12.657 . 17.014 . 29.609 . -5.234 -2.787 -0.301 4 . 27646 GDP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 13.031 . 16.438 . 26.904 . -4.519 -0.438 0.638 5 . 27646 GDP PA PA PA PA . P . . N 0 . . . 1 no no . . . . 12.164 . 17.382 . 25.843 . -3.821 0.633 -0.340 6 . 27646 GDP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 11.308 . 16.310 . 25.239 . -3.718 0.063 -1.702 7 . 27646 GDP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 11.654 . 18.737 . 26.082 . -4.708 1.976 -0.386 8 . 27646 GDP O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 13.417 . 17.470 . 24.852 . -2.348 0.981 0.208 9 . 27646 GDP C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 14.543 . 18.324 . 25.037 . -1.434 1.823 -0.497 10 . 27646 GDP C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 15.043 . 18.710 . 23.648 . -0.133 1.943 0.299 11 . 27646 GDP O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . 15.183 . 17.536 . 22.793 . 0.533 0.670 0.344 12 . 27646 GDP C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 13.926 . 19.400 . 22.829 . 0.820 2.933 -0.399 13 . 27646 GDP O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 14.002 . 20.787 . 23.226 . 1.125 4.028 0.467 14 . 27646 GDP C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . 14.511 . 19.303 . 21.406 . 2.091 2.098 -0.686 15 . 27646 GDP O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . 15.627 . 20.165 . 21.220 . 3.271 2.861 -0.428 16 . 27646 GDP C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . 15.015 . 17.874 . 21.438 . 1.952 0.935 0.329 17 . 27646 GDP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 13.968 . 16.928 . 20.922 . 2.691 -0.243 -0.132 18 . 27646 GDP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.129 . 16.056 . 21.555 . 2.200 -1.252 -0.908 19 . 27646 GDP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 12.358 . 15.405 . 20.737 . 3.131 -2.134 -1.125 20 . 27646 GDP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 12.701 . 15.869 . 19.474 . 4.272 -1.746 -0.504 21 . 27646 GDP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 12.214 . 15.545 . 18.183 . 5.571 -2.295 -0.396 22 . 27646 GDP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 11.326 . 14.728 . 17.882 . 5.850 -3.350 -0.939 23 . 27646 GDP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 12.870 . 16.282 . 17.187 . 6.495 -1.620 0.324 24 . 27646 GDP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 13.858 . 17.205 . 17.402 . 6.171 -0.441 0.927 25 . 27646 GDP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 14.348 . 17.795 . 16.316 . 7.130 0.222 1.651 26 . 27646 GDP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 14.329 . 17.524 . 18.614 . 4.968 0.079 0.834 27 . 27646 GDP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 13.701 . 16.819 . 19.565 . 4.003 -0.529 0.133 28 . 27646 GDP HOB2 HOB2 HOB2 HOB2 . H . . N 0 . . . 0 no no . . . . 15.376 . 16.131 . 28.902 . -7.033 -2.508 1.908 29 . 27646 GDP HOB3 HOB3 HOB3 HOB3 . H . . N 0 . . . 0 no no . . . . 12.643 . 17.873 . 30.015 . -4.521 -3.259 0.151 30 . 27646 GDP HOA2 HOA2 HOA2 HOA2 . H . . N 0 . . . 0 no no . . . . 10.749 . 18.789 . 25.799 . -4.818 2.404 0.474 31 . 27646 GDP H5' H5' H5' H5'1 . H . . N 0 . . . 1 no no . . . . 14.247 . 19.224 . 25.596 . -1.222 1.390 -1.475 32 . 27646 GDP H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 no no . . . . 15.333 . 17.793 . 25.589 . -1.874 2.811 -0.625 33 . 27646 GDP H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 15.955 . 19.324 . 23.692 . -0.349 2.285 1.312 34 . 27646 GDP H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 12.939 . 18.927 . 22.938 . 0.380 3.294 -1.329 35 . 27646 GDP HO3' HO3' HO3' HO3' . H . . N 0 . . . 0 no yes . . . . 13.340 . 21.286 . 22.762 . 1.722 4.683 0.078 36 . 27646 GDP H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . 13.729 . 19.439 . 20.644 . 2.088 1.724 -1.710 37 . 27646 GDP HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . 15.954 . 20.073 . 20.333 . 3.357 3.652 -0.979 38 . 27646 GDP H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . 15.948 . 17.778 . 20.863 . 2.295 1.244 1.316 39 . 27646 GDP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 13.109 . 15.921 . 22.626 . 1.190 -1.310 -1.285 40 . 27646 GDP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 12.593 . 16.120 . 16.240 . 7.392 -1.977 0.412 41 . 27646 GDP HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . 15.071 . 18.480 . 16.402 . 8.023 -0.150 1.728 42 . 27646 GDP HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . 13.993 . 17.554 . 15.413 . 6.915 1.062 2.086 43 . 27646 GDP 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 PB O1B no N 1 . 27646 GDP 2 . SING PB O2B no N 2 . 27646 GDP 3 . SING PB O3B no N 3 . 27646 GDP 4 . SING PB O3A no N 4 . 27646 GDP 5 . SING O2B HOB2 no N 5 . 27646 GDP 6 . SING O3B HOB3 no N 6 . 27646 GDP 7 . SING O3A PA no N 7 . 27646 GDP 8 . DOUB PA O1A no N 8 . 27646 GDP 9 . SING PA O2A no N 9 . 27646 GDP 10 . SING PA O5' no N 10 . 27646 GDP 11 . SING O2A HOA2 no N 11 . 27646 GDP 12 . SING O5' C5' no N 12 . 27646 GDP 13 . SING C5' C4' no N 13 . 27646 GDP 14 . SING C5' H5' no N 14 . 27646 GDP 15 . SING C5' H5'' no N 15 . 27646 GDP 16 . SING C4' O4' no N 16 . 27646 GDP 17 . SING C4' C3' no N 17 . 27646 GDP 18 . SING C4' H4' no N 18 . 27646 GDP 19 . SING O4' C1' no N 19 . 27646 GDP 20 . SING C3' O3' no N 20 . 27646 GDP 21 . SING C3' C2' no N 21 . 27646 GDP 22 . SING C3' H3' no N 22 . 27646 GDP 23 . SING O3' HO3' no N 23 . 27646 GDP 24 . SING C2' O2' no N 24 . 27646 GDP 25 . SING C2' C1' no N 25 . 27646 GDP 26 . SING C2' H2' no N 26 . 27646 GDP 27 . SING O2' HO2' no N 27 . 27646 GDP 28 . SING C1' N9 no N 28 . 27646 GDP 29 . SING C1' H1' no N 29 . 27646 GDP 30 . SING N9 C8 yes N 30 . 27646 GDP 31 . SING N9 C4 yes N 31 . 27646 GDP 32 . DOUB C8 N7 yes N 32 . 27646 GDP 33 . SING C8 H8 no N 33 . 27646 GDP 34 . SING N7 C5 yes N 34 . 27646 GDP 35 . SING C5 C6 no N 35 . 27646 GDP 36 . DOUB C5 C4 yes N 36 . 27646 GDP 37 . DOUB C6 O6 no N 37 . 27646 GDP 38 . SING C6 N1 no N 38 . 27646 GDP 39 . SING N1 C2 no N 39 . 27646 GDP 40 . SING N1 HN1 no N 40 . 27646 GDP 41 . SING C2 N2 no N 41 . 27646 GDP 42 . DOUB C2 N3 no N 42 . 27646 GDP 43 . SING N2 HN21 no N 43 . 27646 GDP 44 . SING N2 HN22 no N 44 . 27646 GDP 45 . SING N3 C4 no N 45 . 27646 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27646 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K-Ras-G12C(1-169) '[U-100% 13C; U-100% 15N]' . . 1 $K-Ras-G12C(1-169) . . 0.45 0.3 0.6 mM . . . . 27646 1 2 GDP 'natural abundance' . . 3 $entity_GDP . . 5 . . mM . . . . 27646 1 3 Mg2+ 'natural abundance' . . 2 $entity_MG . . 15 . . mM . . . . 27646 1 4 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 27646 1 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 27646 1 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 27646 1 7 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 27646 1 8 KH2PO4 'natural abundance' . . . . . . 2 . . mM . . . . 27646 1 9 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27646 1 10 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27646 1 11 DSS 'natural abundance' . . . . . . 1 . . % . . . . 27646 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27646 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K-Ras-G12C(1-169) '[U-100% 15N]' . . 1 $K-Ras-G12C(1-169) . . 0.7 . . mM . . . . 27646 2 2 GDP 'natural abundance' . . 3 $entity_GDP . . 5 . . mM . . . . 27646 2 3 Mg2+ 'natural abundance' . . 2 $entity_MG . . 15 . . mM . . . . 27646 2 4 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 27646 2 5 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 27646 2 6 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 27646 2 7 Na2HPO4 'natural abundance' . . . . . . 10 . . mM . . . . 27646 2 8 KH2PO4 'natural abundance' . . . . . . 2 . . mM . . . . 27646 2 9 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27646 2 10 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27646 2 11 DSS 'natural abundance' . . . . . . 1 . . % . . . . 27646 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27646 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27646 1 pH 7.4 . pH 27646 1 pressure 1 . atm 27646 1 temperature 298 . K 27646 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27646 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27646 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27646 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27646 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27646 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27646 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27646 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 27646 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27646 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 2 '3D BEST-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 3 '3D BEST-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 4 '3D BEST-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 5 '3D BEST-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 6 '3D BEST-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 7 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27646 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27646 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27646 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27646 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27646 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27646 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27646 1 2 '3D BEST-HNCO' . . . 27646 1 3 '3D BEST-HNCA' . . . 27646 1 4 '3D BEST-HNCACB' . . . 27646 1 5 '3D BEST-HN(CO)CA' . . . 27646 1 6 '3D BEST-HN(CA)CO' . . . 27646 1 7 '3D CC(CO)NH' . . . 27646 1 8 '2D 1H-15N HSQC' . . . 27646 1 9 '3D 1H-15N TOCSY' . . . 27646 1 10 '3D 1H-15N NOESY' . . . 27646 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET H H 1 8.234 0.020 . 1 . . . . . 1 MET H . 27646 1 2 . 1 . 1 3 3 MET HA H 1 5.766 0.020 . 1 . . . . . 1 MET HA . 27646 1 3 . 1 . 1 3 3 MET C C 13 174.969 0.3 . 1 . . . . . 1 MET C . 27646 1 4 . 1 . 1 3 3 MET CA C 13 55.128 0.3 . 1 . . . . . 1 MET CA . 27646 1 5 . 1 . 1 3 3 MET CB C 13 33.880 0.3 . 1 . . . . . 1 MET CB . 27646 1 6 . 1 . 1 3 3 MET CG C 13 31.274 0.3 . 1 . . . . . 1 MET CG . 27646 1 7 . 1 . 1 3 3 MET N N 15 122.839 0.3 . 1 . . . . . 1 MET N . 27646 1 8 . 1 . 1 4 4 THR H H 1 8.595 0.020 . 1 . . . . . 2 THR H . 27646 1 9 . 1 . 1 4 4 THR HA H 1 3.939 0.020 . 1 . . . . . 2 THR HA . 27646 1 10 . 1 . 1 4 4 THR HG1 H 1 5.184 0.020 . 1 . . . . . 2 THR HG1 . 27646 1 11 . 1 . 1 4 4 THR HG21 H 1 0.715 0.020 . 1 . . . . . 2 THR HG2 . 27646 1 12 . 1 . 1 4 4 THR HG22 H 1 0.715 0.020 . 1 . . . . . 2 THR HG2 . 27646 1 13 . 1 . 1 4 4 THR HG23 H 1 0.715 0.020 . 1 . . . . . 2 THR HG2 . 27646 1 14 . 1 . 1 4 4 THR C C 13 172.184 0.3 . 1 . . . . . 2 THR C . 27646 1 15 . 1 . 1 4 4 THR CA C 13 63.308 0.3 . 1 . . . . . 2 THR CA . 27646 1 16 . 1 . 1 4 4 THR CB C 13 69.514 0.3 . 1 . . . . . 2 THR CB . 27646 1 17 . 1 . 1 4 4 THR CG2 C 13 21.982 0.3 . 1 . . . . . 2 THR CG2 . 27646 1 18 . 1 . 1 4 4 THR N N 15 122.864 0.3 . 1 . . . . . 2 THR N . 27646 1 19 . 1 . 1 5 5 GLU H H 1 8.342 0.020 . 1 . . . . . 3 GLU H . 27646 1 20 . 1 . 1 5 5 GLU HA H 1 5.271 0.020 . 1 . . . . . 3 GLU HA . 27646 1 21 . 1 . 1 5 5 GLU HB2 H 1 1.996 0.020 . 2 . . . . . 3 GLU HB2 . 27646 1 22 . 1 . 1 5 5 GLU HB3 H 1 1.908 0.020 . 2 . . . . . 3 GLU HB3 . 27646 1 23 . 1 . 1 5 5 GLU C C 13 175.201 0.3 . 1 . . . . . 3 GLU C . 27646 1 24 . 1 . 1 5 5 GLU CA C 13 54.139 0.3 . 1 . . . . . 3 GLU CA . 27646 1 25 . 1 . 1 5 5 GLU CB C 13 31.693 0.3 . 1 . . . . . 3 GLU CB . 27646 1 26 . 1 . 1 5 5 GLU N N 15 126.794 0.3 . 1 . . . . . 3 GLU N . 27646 1 27 . 1 . 1 6 6 TYR H H 1 8.759 0.020 . 1 . . . . . 4 TYR H . 27646 1 28 . 1 . 1 6 6 TYR HA H 1 5.133 0.020 . 1 . . . . . 4 TYR HA . 27646 1 29 . 1 . 1 6 6 TYR C C 13 174.454 0.3 . 1 . . . . . 4 TYR C . 27646 1 30 . 1 . 1 6 6 TYR CA C 13 56.770 0.3 . 1 . . . . . 4 TYR CA . 27646 1 31 . 1 . 1 6 6 TYR CB C 13 41.578 0.3 . 1 . . . . . 4 TYR CB . 27646 1 32 . 1 . 1 6 6 TYR N N 15 121.723 0.3 . 1 . . . . . 4 TYR N . 27646 1 33 . 1 . 1 7 7 LYS H H 1 9.171 0.020 . 1 . . . . . 5 LYS H . 27646 1 34 . 1 . 1 7 7 LYS HA H 1 5.329 0.020 . 1 . . . . . 5 LYS HA . 27646 1 35 . 1 . 1 7 7 LYS C C 13 175.377 0.3 . 1 . . . . . 5 LYS C . 27646 1 36 . 1 . 1 7 7 LYS CA C 13 55.329 0.3 . 1 . . . . . 5 LYS CA . 27646 1 37 . 1 . 1 7 7 LYS CB C 13 33.057 0.3 . 1 . . . . . 5 LYS CB . 27646 1 38 . 1 . 1 7 7 LYS CG C 13 25.371 0.3 . 1 . . . . . 5 LYS CG . 27646 1 39 . 1 . 1 7 7 LYS CD C 13 28.963 0.3 . 1 . . . . . 5 LYS CD . 27646 1 40 . 1 . 1 7 7 LYS CE C 13 41.912 0.3 . 1 . . . . . 5 LYS CE . 27646 1 41 . 1 . 1 7 7 LYS N N 15 124.680 0.3 . 1 . . . . . 5 LYS N . 27646 1 42 . 1 . 1 8 8 LEU H H 1 9.583 0.020 . 1 . . . . . 6 LEU H . 27646 1 43 . 1 . 1 8 8 LEU HA H 1 5.154 0.020 . 1 . . . . . 6 LEU HA . 27646 1 44 . 1 . 1 8 8 LEU C C 13 175.642 0.3 . 1 . . . . . 6 LEU C . 27646 1 45 . 1 . 1 8 8 LEU CA C 13 52.635 0.3 . 1 . . . . . 6 LEU CA . 27646 1 46 . 1 . 1 8 8 LEU CB C 13 44.252 0.3 . 1 . . . . . 6 LEU CB . 27646 1 47 . 1 . 1 8 8 LEU N N 15 126.798 0.3 . 1 . . . . . 6 LEU N . 27646 1 48 . 1 . 1 9 9 VAL H H 1 7.889 0.020 . 1 . . . . . 7 VAL H . 27646 1 49 . 1 . 1 9 9 VAL HA H 1 4.089 0.020 . 1 . . . . . 7 VAL HA . 27646 1 50 . 1 . 1 9 9 VAL C C 13 174.193 0.3 . 1 . . . . . 7 VAL C . 27646 1 51 . 1 . 1 9 9 VAL CA C 13 61.217 0.3 . 1 . . . . . 7 VAL CA . 27646 1 52 . 1 . 1 9 9 VAL CB C 13 34.064 0.3 . 1 . . . . . 7 VAL CB . 27646 1 53 . 1 . 1 9 9 VAL N N 15 120.034 0.3 . 1 . . . . . 7 VAL N . 27646 1 54 . 1 . 1 10 10 VAL H H 1 9.019 0.020 . 1 . . . . . 8 VAL H . 27646 1 55 . 1 . 1 10 10 VAL HA H 1 4.696 0.020 . 1 . . . . . 8 VAL HA . 27646 1 56 . 1 . 1 10 10 VAL C C 13 175.509 0.3 . 1 . . . . . 8 VAL C . 27646 1 57 . 1 . 1 10 10 VAL CA C 13 62.188 0.3 . 1 . . . . . 8 VAL CA . 27646 1 58 . 1 . 1 10 10 VAL CB C 13 32.410 0.3 . 1 . . . . . 8 VAL CB . 27646 1 59 . 1 . 1 10 10 VAL N N 15 129.057 0.3 . 1 . . . . . 8 VAL N . 27646 1 60 . 1 . 1 11 11 VAL H H 1 9.211 0.020 . 1 . . . . . 9 VAL H . 27646 1 61 . 1 . 1 11 11 VAL HA H 1 4.551 0.020 . 1 . . . . . 9 VAL HA . 27646 1 62 . 1 . 1 11 11 VAL C C 13 172.843 0.3 . 1 . . . . . 9 VAL C . 27646 1 63 . 1 . 1 11 11 VAL CA C 13 59.275 0.3 . 1 . . . . . 9 VAL CA . 27646 1 64 . 1 . 1 11 11 VAL CB C 13 35.312 0.3 . 1 . . . . . 9 VAL CB . 27646 1 65 . 1 . 1 11 11 VAL N N 15 120.721 0.3 . 1 . . . . . 9 VAL N . 27646 1 66 . 1 . 1 12 12 GLY H H 1 7.155 0.020 . 1 . . . . . 10 GLY H . 27646 1 67 . 1 . 1 12 12 GLY HA2 H 1 4.639 0.020 . 1 . . . . . 10 GLY HA2 . 27646 1 68 . 1 . 1 12 12 GLY HA3 H 1 4.639 0.020 . 1 . . . . . 10 GLY HA3 . 27646 1 69 . 1 . 1 12 12 GLY C C 13 172.839 0.3 . 1 . . . . . 10 GLY C . 27646 1 70 . 1 . 1 12 12 GLY CA C 13 43.710 0.3 . 1 . . . . . 10 GLY CA . 27646 1 71 . 1 . 1 12 12 GLY N N 15 107.582 0.3 . 1 . . . . . 10 GLY N . 27646 1 72 . 1 . 1 13 13 ALA H H 1 9.225 0.020 . 1 . . . . . 11 ALA H . 27646 1 73 . 1 . 1 13 13 ALA HA H 1 4.785 0.020 . 1 . . . . . 11 ALA HA . 27646 1 74 . 1 . 1 13 13 ALA C C 13 176.724 0.3 . 1 . . . . . 11 ALA C . 27646 1 75 . 1 . 1 13 13 ALA CA C 13 52.792 0.3 . 1 . . . . . 11 ALA CA . 27646 1 76 . 1 . 1 13 13 ALA CB C 13 19.021 0.3 . 1 . . . . . 11 ALA CB . 27646 1 77 . 1 . 1 13 13 ALA N N 15 123.798 0.3 . 1 . . . . . 11 ALA N . 27646 1 78 . 1 . 1 14 14 CYS H H 1 8.657 0.020 . 1 . . . . . 12 CYS H . 27646 1 79 . 1 . 1 14 14 CYS HA H 1 4.433 0.020 . 1 . . . . . 12 CYS HA . 27646 1 80 . 1 . 1 14 14 CYS C C 13 176.932 0.3 . 1 . . . . . 12 CYS C . 27646 1 81 . 1 . 1 14 14 CYS CA C 13 61.316 0.3 . 1 . . . . . 12 CYS CA . 27646 1 82 . 1 . 1 14 14 CYS CB C 13 26.670 0.3 . 1 . . . . . 12 CYS CB . 27646 1 83 . 1 . 1 14 14 CYS N N 15 120.075 0.3 . 1 . . . . . 12 CYS N . 27646 1 84 . 1 . 1 15 15 GLY H H 1 11.107 0.020 . 1 . . . . . 13 GLY H . 27646 1 85 . 1 . 1 15 15 GLY HA2 H 1 4.009 0.020 . 1 . . . . . 13 GLY HA2 . 27646 1 86 . 1 . 1 15 15 GLY HA3 H 1 4.009 0.020 . 1 . . . . . 13 GLY HA3 . 27646 1 87 . 1 . 1 15 15 GLY C C 13 175.304 0.3 . 1 . . . . . 13 GLY C . 27646 1 88 . 1 . 1 15 15 GLY CA C 13 45.714 0.3 . 1 . . . . . 13 GLY CA . 27646 1 89 . 1 . 1 15 15 GLY N N 15 119.600 0.3 . 1 . . . . . 13 GLY N . 27646 1 90 . 1 . 1 16 16 VAL H H 1 7.783 0.020 . 1 . . . . . 14 VAL H . 27646 1 91 . 1 . 1 16 16 VAL HA H 1 4.115 0.020 . 1 . . . . . 14 VAL HA . 27646 1 92 . 1 . 1 16 16 VAL C C 13 174.469 0.3 . 1 . . . . . 14 VAL C . 27646 1 93 . 1 . 1 16 16 VAL CA C 13 62.814 0.3 . 1 . . . . . 14 VAL CA . 27646 1 94 . 1 . 1 16 16 VAL CB C 13 32.138 0.3 . 1 . . . . . 14 VAL CB . 27646 1 95 . 1 . 1 16 16 VAL CG1 C 13 22.317 0.3 . 1 . . . . . 14 VAL CG1 . 27646 1 96 . 1 . 1 16 16 VAL CG2 C 13 17.797 0.3 . 1 . . . . . 14 VAL CG2 . 27646 1 97 . 1 . 1 16 16 VAL N N 15 113.842 0.3 . 1 . . . . . 14 VAL N . 27646 1 98 . 1 . 1 17 17 GLY H H 1 8.638 0.020 . 1 . . . . . 15 GLY H . 27646 1 99 . 1 . 1 17 17 GLY HA2 H 1 4.243 0.020 . 1 . . . . . 15 GLY HA2 . 27646 1 100 . 1 . 1 17 17 GLY HA3 H 1 4.243 0.020 . 1 . . . . . 15 GLY HA3 . 27646 1 101 . 1 . 1 17 17 GLY C C 13 173.825 0.3 . 1 . . . . . 15 GLY C . 27646 1 102 . 1 . 1 17 17 GLY CA C 13 46.090 0.3 . 1 . . . . . 15 GLY CA . 27646 1 103 . 1 . 1 17 17 GLY N N 15 109.688 0.3 . 1 . . . . . 15 GLY N . 27646 1 104 . 1 . 1 18 18 LYS H H 1 10.708 0.020 . 1 . . . . . 16 LYS H . 27646 1 105 . 1 . 1 18 18 LYS HA H 1 4.653 0.020 . 1 . . . . . 16 LYS HA . 27646 1 106 . 1 . 1 18 18 LYS C C 13 179.793 0.3 . 1 . . . . . 16 LYS C . 27646 1 107 . 1 . 1 18 18 LYS CA C 13 61.154 0.3 . 1 . . . . . 16 LYS CA . 27646 1 108 . 1 . 1 18 18 LYS CB C 13 29.516 0.3 . 1 . . . . . 16 LYS CB . 27646 1 109 . 1 . 1 18 18 LYS CG C 13 23.474 0.3 . 1 . . . . . 16 LYS CG . 27646 1 110 . 1 . 1 18 18 LYS N N 15 125.584 0.3 . 1 . . . . . 16 LYS N . 27646 1 111 . 1 . 1 19 19 SER H H 1 9.431 0.020 . 1 . . . . . 17 SER H . 27646 1 112 . 1 . 1 19 19 SER HA H 1 4.241 0.020 . 1 . . . . . 17 SER HA . 27646 1 113 . 1 . 1 19 19 SER C C 13 175.756 0.3 . 1 . . . . . 17 SER C . 27646 1 114 . 1 . 1 19 19 SER CA C 13 61.221 0.3 . 1 . . . . . 17 SER CA . 27646 1 115 . 1 . 1 19 19 SER N N 15 120.630 0.3 . 1 . . . . . 17 SER N . 27646 1 116 . 1 . 1 20 20 ALA H H 1 9.439 0.020 . 1 . . . . . 18 ALA H . 27646 1 117 . 1 . 1 20 20 ALA HA H 1 4.624 0.020 . 1 . . . . . 18 ALA HA . 27646 1 118 . 1 . 1 20 20 ALA HB1 H 1 1.372 0.020 . 1 . . . . . 18 ALA HB . 27646 1 119 . 1 . 1 20 20 ALA HB2 H 1 1.372 0.020 . 1 . . . . . 18 ALA HB . 27646 1 120 . 1 . 1 20 20 ALA HB3 H 1 1.372 0.020 . 1 . . . . . 18 ALA HB . 27646 1 121 . 1 . 1 20 20 ALA C C 13 182.067 0.3 . 1 . . . . . 18 ALA C . 27646 1 122 . 1 . 1 20 20 ALA CA C 13 54.406 0.3 . 1 . . . . . 18 ALA CA . 27646 1 123 . 1 . 1 20 20 ALA CB C 13 18.446 0.3 . 1 . . . . . 18 ALA CB . 27646 1 124 . 1 . 1 20 20 ALA N N 15 125.235 0.3 . 1 . . . . . 18 ALA N . 27646 1 125 . 1 . 1 21 21 LEU H H 1 9.062 0.020 . 1 . . . . . 19 LEU H . 27646 1 126 . 1 . 1 21 21 LEU HA H 1 3.833 0.020 . 1 . . . . . 19 LEU HA . 27646 1 127 . 1 . 1 21 21 LEU C C 13 177.662 0.3 . 1 . . . . . 19 LEU C . 27646 1 128 . 1 . 1 21 21 LEU CA C 13 58.796 0.3 . 1 . . . . . 19 LEU CA . 27646 1 129 . 1 . 1 21 21 LEU CB C 13 43.197 0.3 . 1 . . . . . 19 LEU CB . 27646 1 130 . 1 . 1 21 21 LEU CG C 13 27.221 0.3 . 1 . . . . . 19 LEU CG . 27646 1 131 . 1 . 1 21 21 LEU CD1 C 13 25.150 0.3 . 1 . . . . . 19 LEU CD1 . 27646 1 132 . 1 . 1 21 21 LEU CD2 C 13 25.150 0.3 . 1 . . . . . 19 LEU CD2 . 27646 1 133 . 1 . 1 21 21 LEU N N 15 120.428 0.3 . 1 . . . . . 19 LEU N . 27646 1 134 . 1 . 1 22 22 THR H H 1 7.777 0.020 . 1 . . . . . 20 THR H . 27646 1 135 . 1 . 1 22 22 THR HA H 1 4.082 0.020 . 1 . . . . . 20 THR HA . 27646 1 136 . 1 . 1 22 22 THR C C 13 175.937 0.3 . 1 . . . . . 20 THR C . 27646 1 137 . 1 . 1 22 22 THR CA C 13 68.312 0.3 . 1 . . . . . 20 THR CA . 27646 1 138 . 1 . 1 22 22 THR CG2 C 13 22.094 0.3 . 1 . . . . . 20 THR CG2 . 27646 1 139 . 1 . 1 22 22 THR N N 15 116.913 0.3 . 1 . . . . . 20 THR N . 27646 1 140 . 1 . 1 23 23 ILE H H 1 8.904 0.020 . 1 . . . . . 21 ILE H . 27646 1 141 . 1 . 1 23 23 ILE HA H 1 3.925 0.020 . 1 . . . . . 21 ILE HA . 27646 1 142 . 1 . 1 23 23 ILE C C 13 179.119 0.3 . 1 . . . . . 21 ILE C . 27646 1 143 . 1 . 1 23 23 ILE CA C 13 64.808 0.3 . 1 . . . . . 21 ILE CA . 27646 1 144 . 1 . 1 23 23 ILE CB C 13 36.408 0.3 . 1 . . . . . 21 ILE CB . 27646 1 145 . 1 . 1 23 23 ILE CG2 C 13 17.756 0.3 . 1 . . . . . 21 ILE CG2 . 27646 1 146 . 1 . 1 23 23 ILE N N 15 120.759 0.3 . 1 . . . . . 21 ILE N . 27646 1 147 . 1 . 1 24 24 GLN H H 1 7.872 0.020 . 1 . . . . . 22 GLN H . 27646 1 148 . 1 . 1 24 24 GLN HA H 1 4.283 0.020 . 1 . . . . . 22 GLN HA . 27646 1 149 . 1 . 1 24 24 GLN C C 13 179.378 0.3 . 1 . . . . . 22 GLN C . 27646 1 150 . 1 . 1 24 24 GLN CA C 13 59.091 0.3 . 1 . . . . . 22 GLN CA . 27646 1 151 . 1 . 1 24 24 GLN CB C 13 29.596 0.3 . 1 . . . . . 22 GLN CB . 27646 1 152 . 1 . 1 24 24 GLN CG C 13 33.432 0.3 . 1 . . . . . 22 GLN CG . 27646 1 153 . 1 . 1 24 24 GLN N N 15 120.858 0.3 . 1 . . . . . 22 GLN N . 27646 1 154 . 1 . 1 25 25 LEU H H 1 7.669 0.020 . 1 . . . . . 23 LEU H . 27646 1 155 . 1 . 1 25 25 LEU HA H 1 3.768 0.020 . 1 . . . . . 23 LEU HA . 27646 1 156 . 1 . 1 25 25 LEU HB2 H 1 1.516 0.020 . 1 . . . . . 23 LEU HB2 . 27646 1 157 . 1 . 1 25 25 LEU HB3 H 1 1.516 0.020 . 1 . . . . . 23 LEU HB3 . 27646 1 158 . 1 . 1 25 25 LEU HD11 H 1 0.896 0.020 . 1 . . . . . 23 LEU HD1 . 27646 1 159 . 1 . 1 25 25 LEU HD12 H 1 0.896 0.020 . 1 . . . . . 23 LEU HD1 . 27646 1 160 . 1 . 1 25 25 LEU HD13 H 1 0.896 0.020 . 1 . . . . . 23 LEU HD1 . 27646 1 161 . 1 . 1 25 25 LEU HD21 H 1 0.622 0.020 . 1 . . . . . 23 LEU HD2 . 27646 1 162 . 1 . 1 25 25 LEU HD22 H 1 0.622 0.020 . 1 . . . . . 23 LEU HD2 . 27646 1 163 . 1 . 1 25 25 LEU HD23 H 1 0.622 0.020 . 1 . . . . . 23 LEU HD2 . 27646 1 164 . 1 . 1 25 25 LEU C C 13 178.243 0.3 . 1 . . . . . 23 LEU C . 27646 1 165 . 1 . 1 25 25 LEU CA C 13 58.087 0.3 . 1 . . . . . 23 LEU CA . 27646 1 166 . 1 . 1 25 25 LEU CB C 13 40.639 0.3 . 1 . . . . . 23 LEU CB . 27646 1 167 . 1 . 1 25 25 LEU CD1 C 13 23.080 0.3 . 1 . . . . . 23 LEU CD1 . 27646 1 168 . 1 . 1 25 25 LEU CD2 C 13 22.939 0.3 . 1 . . . . . 23 LEU CD2 . 27646 1 169 . 1 . 1 25 25 LEU N N 15 120.740 0.3 . 1 . . . . . 23 LEU N . 27646 1 170 . 1 . 1 26 26 ILE H H 1 8.062 0.020 . 1 . . . . . 24 ILE H . 27646 1 171 . 1 . 1 26 26 ILE HA H 1 3.615 0.020 . 1 . . . . . 24 ILE HA . 27646 1 172 . 1 . 1 26 26 ILE C C 13 177.634 0.3 . 1 . . . . . 24 ILE C . 27646 1 173 . 1 . 1 26 26 ILE CA C 13 62.336 0.3 . 1 . . . . . 24 ILE CA . 27646 1 174 . 1 . 1 26 26 ILE CB C 13 37.392 0.3 . 1 . . . . . 24 ILE CB . 27646 1 175 . 1 . 1 26 26 ILE CG1 C 13 26.371 0.3 . 1 . . . . . 24 ILE CG1 . 27646 1 176 . 1 . 1 26 26 ILE CG2 C 13 17.614 0.3 . 1 . . . . . 24 ILE CG2 . 27646 1 177 . 1 . 1 26 26 ILE N N 15 114.082 0.3 . 1 . . . . . 24 ILE N . 27646 1 178 . 1 . 1 27 27 GLN H H 1 9.038 0.020 . 1 . . . . . 25 GLN H . 27646 1 179 . 1 . 1 27 27 GLN HA H 1 4.505 0.020 . 1 . . . . . 25 GLN HA . 27646 1 180 . 1 . 1 27 27 GLN HB2 H 1 2.217 0.020 . 1 . . . . . 25 GLN HB2 . 27646 1 181 . 1 . 1 27 27 GLN HB3 H 1 2.217 0.020 . 1 . . . . . 25 GLN HB3 . 27646 1 182 . 1 . 1 27 27 GLN C C 13 176.342 0.3 . 1 . . . . . 25 GLN C . 27646 1 183 . 1 . 1 27 27 GLN CA C 13 55.291 0.3 . 1 . . . . . 25 GLN CA . 27646 1 184 . 1 . 1 27 27 GLN CB C 13 30.406 0.3 . 1 . . . . . 25 GLN CB . 27646 1 185 . 1 . 1 27 27 GLN CG C 13 33.826 0.3 . 1 . . . . . 25 GLN CG . 27646 1 186 . 1 . 1 27 27 GLN N N 15 116.045 0.3 . 1 . . . . . 25 GLN N . 27646 1 187 . 1 . 1 28 28 ASN H H 1 7.995 0.020 . 1 . . . . . 26 ASN H . 27646 1 188 . 1 . 1 28 28 ASN HA H 1 4.786 0.020 . 1 . . . . . 26 ASN HA . 27646 1 189 . 1 . 1 28 28 ASN HB2 H 1 3.101 0.020 . 2 . . . . . 26 ASN HB2 . 27646 1 190 . 1 . 1 28 28 ASN HB3 H 1 2.791 0.020 . 2 . . . . . 26 ASN HB3 . 27646 1 191 . 1 . 1 28 28 ASN C C 13 174.103 0.3 . 1 . . . . . 26 ASN C . 27646 1 192 . 1 . 1 28 28 ASN CA C 13 54.522 0.3 . 1 . . . . . 26 ASN CA . 27646 1 193 . 1 . 1 28 28 ASN CB C 13 37.153 0.3 . 1 . . . . . 26 ASN CB . 27646 1 194 . 1 . 1 28 28 ASN N N 15 116.096 0.3 . 1 . . . . . 26 ASN N . 27646 1 195 . 1 . 1 29 29 HIS H H 1 6.773 0.020 . 1 . . . . . 27 HIS H . 27646 1 196 . 1 . 1 29 29 HIS HA H 1 4.770 0.020 . 1 . . . . . 27 HIS HA . 27646 1 197 . 1 . 1 29 29 HIS C C 13 172.731 0.3 . 1 . . . . . 27 HIS C . 27646 1 198 . 1 . 1 29 29 HIS CA C 13 54.510 0.3 . 1 . . . . . 27 HIS CA . 27646 1 199 . 1 . 1 29 29 HIS CB C 13 32.480 0.3 . 1 . . . . . 27 HIS CB . 27646 1 200 . 1 . 1 29 29 HIS N N 15 111.298 0.3 . 1 . . . . . 27 HIS N . 27646 1 201 . 1 . 1 30 30 PHE H H 1 8.560 0.020 . 1 . . . . . 28 PHE H . 27646 1 202 . 1 . 1 30 30 PHE C C 13 174.640 0.3 . 1 . . . . . 28 PHE C . 27646 1 203 . 1 . 1 30 30 PHE CA C 13 55.184 0.3 . 1 . . . . . 28 PHE CA . 27646 1 204 . 1 . 1 30 30 PHE CB C 13 39.655 0.3 . 1 . . . . . 28 PHE CB . 27646 1 205 . 1 . 1 30 30 PHE N N 15 122.192 0.3 . 1 . . . . . 28 PHE N . 27646 1 206 . 1 . 1 31 31 VAL H H 1 7.781 0.020 . 1 . . . . . 29 VAL H . 27646 1 207 . 1 . 1 31 31 VAL HA H 1 3.958 0.020 . 1 . . . . . 29 VAL HA . 27646 1 208 . 1 . 1 31 31 VAL C C 13 173.371 0.3 . 1 . . . . . 29 VAL C . 27646 1 209 . 1 . 1 31 31 VAL CA C 13 60.058 0.3 . 1 . . . . . 29 VAL CA . 27646 1 210 . 1 . 1 31 31 VAL CB C 13 32.228 0.3 . 1 . . . . . 29 VAL CB . 27646 1 211 . 1 . 1 31 31 VAL N N 15 126.468 0.3 . 1 . . . . . 29 VAL N . 27646 1 212 . 1 . 1 32 32 ASP H H 1 7.812 0.020 . 1 . . . . . 30 ASP H . 27646 1 213 . 1 . 1 32 32 ASP HA H 1 3.904 0.020 . 1 . . . . . 30 ASP HA . 27646 1 214 . 1 . 1 32 32 ASP C C 13 177.676 0.3 . 1 . . . . . 30 ASP C . 27646 1 215 . 1 . 1 32 32 ASP CA C 13 54.515 0.3 . 1 . . . . . 30 ASP CA . 27646 1 216 . 1 . 1 32 32 ASP CB C 13 41.495 0.3 . 1 . . . . . 30 ASP CB . 27646 1 217 . 1 . 1 32 32 ASP N N 15 122.269 0.3 . 1 . . . . . 30 ASP N . 27646 1 218 . 1 . 1 33 33 GLU H H 1 7.678 0.020 . 1 . . . . . 31 GLU H . 27646 1 219 . 1 . 1 33 33 GLU HA H 1 4.379 0.020 . 1 . . . . . 31 GLU HA . 27646 1 220 . 1 . 1 33 33 GLU C C 13 174.279 0.3 . 1 . . . . . 31 GLU C . 27646 1 221 . 1 . 1 33 33 GLU CA C 13 55.580 0.3 . 1 . . . . . 31 GLU CA . 27646 1 222 . 1 . 1 33 33 GLU CB C 13 30.718 0.3 . 1 . . . . . 31 GLU CB . 27646 1 223 . 1 . 1 33 33 GLU CG C 13 35.981 0.3 . 1 . . . . . 31 GLU CG . 27646 1 224 . 1 . 1 33 33 GLU N N 15 119.559 0.3 . 1 . . . . . 31 GLU N . 27646 1 225 . 1 . 1 34 34 TYR H H 1 8.875 0.020 . 1 . . . . . 32 TYR H . 27646 1 226 . 1 . 1 34 34 TYR HA H 1 4.257 0.020 . 1 . . . . . 32 TYR HA . 27646 1 227 . 1 . 1 34 34 TYR C C 13 175.348 0.3 . 1 . . . . . 32 TYR C . 27646 1 228 . 1 . 1 34 34 TYR CA C 13 58.837 0.3 . 1 . . . . . 32 TYR CA . 27646 1 229 . 1 . 1 34 34 TYR CB C 13 39.824 0.3 . 1 . . . . . 32 TYR CB . 27646 1 230 . 1 . 1 34 34 TYR N N 15 126.228 0.3 . 1 . . . . . 32 TYR N . 27646 1 231 . 1 . 1 35 35 ASP H H 1 7.884 0.020 . 1 . . . . . 33 ASP H . 27646 1 232 . 1 . 1 35 35 ASP C C 13 176.505 0.3 . 1 . . . . . 33 ASP C . 27646 1 233 . 1 . 1 35 35 ASP CA C 13 52.604 0.3 . 1 . . . . . 33 ASP CA . 27646 1 234 . 1 . 1 35 35 ASP CB C 13 41.570 0.3 . 1 . . . . . 33 ASP CB . 27646 1 235 . 1 . 1 35 35 ASP N N 15 128.945 0.3 . 1 . . . . . 33 ASP N . 27646 1 236 . 1 . 1 36 36 PRO C C 13 178.760 0.3 . 1 . . . . . 34 PRO C . 27646 1 237 . 1 . 1 36 36 PRO CA C 13 63.879 0.3 . 1 . . . . . 34 PRO CA . 27646 1 238 . 1 . 1 36 36 PRO CB C 13 33.558 0.3 . 1 . . . . . 34 PRO CB . 27646 1 239 . 1 . 1 36 36 PRO CG C 13 26.875 0.3 . 1 . . . . . 34 PRO CG . 27646 1 240 . 1 . 1 37 37 THR H H 1 9.073 0.020 . 1 . . . . . 35 THR H . 27646 1 241 . 1 . 1 37 37 THR HA H 1 4.333 0.020 . 1 . . . . . 35 THR HA . 27646 1 242 . 1 . 1 37 37 THR C C 13 174.619 0.3 . 1 . . . . . 35 THR C . 27646 1 243 . 1 . 1 37 37 THR CA C 13 62.094 0.3 . 1 . . . . . 35 THR CA . 27646 1 244 . 1 . 1 37 37 THR CB C 13 70.150 0.3 . 1 . . . . . 35 THR CB . 27646 1 245 . 1 . 1 37 37 THR CG2 C 13 21.899 0.3 . 1 . . . . . 35 THR CG2 . 27646 1 246 . 1 . 1 37 37 THR N N 15 109.447 0.3 . 1 . . . . . 35 THR N . 27646 1 247 . 1 . 1 38 38 ILE H H 1 6.777 0.020 . 1 . . . . . 36 ILE H . 27646 1 248 . 1 . 1 38 38 ILE HA H 1 3.973 0.020 . 1 . . . . . 36 ILE HA . 27646 1 249 . 1 . 1 38 38 ILE C C 13 174.702 0.3 . 1 . . . . . 36 ILE C . 27646 1 250 . 1 . 1 38 38 ILE CA C 13 62.204 0.3 . 1 . . . . . 36 ILE CA . 27646 1 251 . 1 . 1 38 38 ILE CB C 13 37.986 0.3 . 1 . . . . . 36 ILE CB . 27646 1 252 . 1 . 1 38 38 ILE CG1 C 13 27.877 0.3 . 1 . . . . . 36 ILE CG1 . 27646 1 253 . 1 . 1 38 38 ILE CG2 C 13 17.518 0.3 . 1 . . . . . 36 ILE CG2 . 27646 1 254 . 1 . 1 38 38 ILE CD1 C 13 12.672 0.3 . 1 . . . . . 36 ILE CD1 . 27646 1 255 . 1 . 1 38 38 ILE N N 15 120.819 0.3 . 1 . . . . . 36 ILE N . 27646 1 256 . 1 . 1 39 39 GLU H H 1 8.474 0.020 . 1 . . . . . 37 GLU H . 27646 1 257 . 1 . 1 39 39 GLU HA H 1 5.020 0.020 . 1 . . . . . 37 GLU HA . 27646 1 258 . 1 . 1 39 39 GLU C C 13 174.118 0.3 . 1 . . . . . 37 GLU C . 27646 1 259 . 1 . 1 39 39 GLU CA C 13 54.421 0.3 . 1 . . . . . 37 GLU CA . 27646 1 260 . 1 . 1 39 39 GLU CB C 13 32.806 0.3 . 1 . . . . . 37 GLU CB . 27646 1 261 . 1 . 1 39 39 GLU CG C 13 37.217 0.3 . 1 . . . . . 37 GLU CG . 27646 1 262 . 1 . 1 39 39 GLU N N 15 132.926 0.3 . 1 . . . . . 37 GLU N . 27646 1 263 . 1 . 1 40 40 ASP H H 1 8.194 0.020 . 1 . . . . . 38 ASP H . 27646 1 264 . 1 . 1 40 40 ASP HA H 1 4.763 0.020 . 1 . . . . . 38 ASP HA . 27646 1 265 . 1 . 1 40 40 ASP C C 13 173.224 0.3 . 1 . . . . . 38 ASP C . 27646 1 266 . 1 . 1 40 40 ASP CA C 13 52.423 0.3 . 1 . . . . . 38 ASP CA . 27646 1 267 . 1 . 1 40 40 ASP CB C 13 43.743 0.3 . 1 . . . . . 38 ASP CB . 27646 1 268 . 1 . 1 40 40 ASP N N 15 124.995 0.3 . 1 . . . . . 38 ASP N . 27646 1 269 . 1 . 1 41 41 SER H H 1 8.488 0.020 . 1 . . . . . 39 SER H . 27646 1 270 . 1 . 1 41 41 SER C C 13 173.400 0.3 . 1 . . . . . 39 SER C . 27646 1 271 . 1 . 1 41 41 SER CA C 13 55.611 0.3 . 1 . . . . . 39 SER CA . 27646 1 272 . 1 . 1 41 41 SER CB C 13 65.977 0.3 . 1 . . . . . 39 SER CB . 27646 1 273 . 1 . 1 41 41 SER N N 15 114.082 0.3 . 1 . . . . . 39 SER N . 27646 1 274 . 1 . 1 42 42 TYR H H 1 9.124 0.020 . 1 . . . . . 40 TYR H . 27646 1 275 . 1 . 1 42 42 TYR HA H 1 4.709 0.020 . 1 . . . . . 40 TYR HA . 27646 1 276 . 1 . 1 42 42 TYR C C 13 174.308 0.3 . 1 . . . . . 40 TYR C . 27646 1 277 . 1 . 1 42 42 TYR CA C 13 56.864 0.3 . 1 . . . . . 40 TYR CA . 27646 1 278 . 1 . 1 42 42 TYR CB C 13 43.281 0.3 . 1 . . . . . 40 TYR CB . 27646 1 279 . 1 . 1 42 42 TYR N N 15 121.017 0.3 . 1 . . . . . 40 TYR N . 27646 1 280 . 1 . 1 43 43 ARG H H 1 8.431 0.020 . 1 . . . . . 41 ARG H . 27646 1 281 . 1 . 1 43 43 ARG HA H 1 5.840 0.020 . 1 . . . . . 41 ARG HA . 27646 1 282 . 1 . 1 43 43 ARG C C 13 176.314 0.3 . 1 . . . . . 41 ARG C . 27646 1 283 . 1 . 1 43 43 ARG CA C 13 54.139 0.3 . 1 . . . . . 41 ARG CA . 27646 1 284 . 1 . 1 43 43 ARG CB C 13 33.892 0.3 . 1 . . . . . 41 ARG CB . 27646 1 285 . 1 . 1 43 43 ARG CG C 13 27.710 0.3 . 1 . . . . . 41 ARG CG . 27646 1 286 . 1 . 1 43 43 ARG CD C 13 43.583 0.3 . 1 . . . . . 41 ARG CD . 27646 1 287 . 1 . 1 43 43 ARG N N 15 120.062 0.3 . 1 . . . . . 41 ARG N . 27646 1 288 . 1 . 1 44 44 LYS H H 1 8.638 0.020 . 1 . . . . . 42 LYS H . 27646 1 289 . 1 . 1 44 44 LYS HA H 1 4.477 0.020 . 1 . . . . . 42 LYS HA . 27646 1 290 . 1 . 1 44 44 LYS C C 13 173.683 0.3 . 1 . . . . . 42 LYS C . 27646 1 291 . 1 . 1 44 44 LYS CA C 13 55.548 0.3 . 1 . . . . . 42 LYS CA . 27646 1 292 . 1 . 1 44 44 LYS CB C 13 37.902 0.3 . 1 . . . . . 42 LYS CB . 27646 1 293 . 1 . 1 44 44 LYS CG C 13 24.953 0.3 . 1 . . . . . 42 LYS CG . 27646 1 294 . 1 . 1 44 44 LYS CD C 13 30.133 0.3 . 1 . . . . . 42 LYS CD . 27646 1 295 . 1 . 1 44 44 LYS N N 15 121.809 0.3 . 1 . . . . . 42 LYS N . 27646 1 296 . 1 . 1 45 45 GLN H H 1 8.847 0.020 . 1 . . . . . 43 GLN H . 27646 1 297 . 1 . 1 45 45 GLN HA H 1 5.312 0.020 . 1 . . . . . 43 GLN HA . 27646 1 298 . 1 . 1 45 45 GLN C C 13 175.275 0.3 . 1 . . . . . 43 GLN C . 27646 1 299 . 1 . 1 45 45 GLN CA C 13 55.392 0.3 . 1 . . . . . 43 GLN CA . 27646 1 300 . 1 . 1 45 45 GLN CB C 13 29.715 0.3 . 1 . . . . . 43 GLN CB . 27646 1 301 . 1 . 1 45 45 GLN N N 15 128.939 0.3 . 1 . . . . . 43 GLN N . 27646 1 302 . 1 . 1 46 46 VAL H H 1 9.103 0.020 . 1 . . . . . 44 VAL H . 27646 1 303 . 1 . 1 46 46 VAL HA H 1 4.712 0.020 . 1 . . . . . 44 VAL HA . 27646 1 304 . 1 . 1 46 46 VAL C C 13 173.107 0.3 . 1 . . . . . 44 VAL C . 27646 1 305 . 1 . 1 46 46 VAL CA C 13 59.457 0.3 . 1 . . . . . 44 VAL CA . 27646 1 306 . 1 . 1 46 46 VAL CB C 13 36.064 0.3 . 1 . . . . . 44 VAL CB . 27646 1 307 . 1 . 1 46 46 VAL CG1 C 13 21.695 0.3 . 1 . . . . . 44 VAL CG1 . 27646 1 308 . 1 . 1 46 46 VAL CG2 C 13 19.773 0.3 . 1 . . . . . 44 VAL CG2 . 27646 1 309 . 1 . 1 46 46 VAL N N 15 121.721 0.3 . 1 . . . . . 44 VAL N . 27646 1 310 . 1 . 1 47 47 VAL H H 1 8.136 0.020 . 1 . . . . . 45 VAL H . 27646 1 311 . 1 . 1 47 47 VAL HA H 1 4.624 0.020 . 1 . . . . . 45 VAL HA . 27646 1 312 . 1 . 1 47 47 VAL C C 13 175.626 0.3 . 1 . . . . . 45 VAL C . 27646 1 313 . 1 . 1 47 47 VAL CA C 13 61.655 0.3 . 1 . . . . . 45 VAL CA . 27646 1 314 . 1 . 1 47 47 VAL CB C 13 32.172 0.3 . 1 . . . . . 45 VAL CB . 27646 1 315 . 1 . 1 47 47 VAL CG1 C 13 20.894 0.3 . 1 . . . . . 45 VAL CG1 . 27646 1 316 . 1 . 1 47 47 VAL CG2 C 13 20.894 0.3 . 1 . . . . . 45 VAL CG2 . 27646 1 317 . 1 . 1 47 47 VAL N N 15 122.174 0.3 . 1 . . . . . 45 VAL N . 27646 1 318 . 1 . 1 48 48 ILE H H 1 8.313 0.020 . 1 . . . . . 46 ILE H . 27646 1 319 . 1 . 1 48 48 ILE HA H 1 3.921 0.020 . 1 . . . . . 46 ILE HA . 27646 1 320 . 1 . 1 48 48 ILE C C 13 176.607 0.3 . 1 . . . . . 46 ILE C . 27646 1 321 . 1 . 1 48 48 ILE CA C 13 60.289 0.3 . 1 . . . . . 46 ILE CA . 27646 1 322 . 1 . 1 48 48 ILE CB C 13 39.787 0.3 . 1 . . . . . 46 ILE CB . 27646 1 323 . 1 . 1 48 48 ILE CG2 C 13 16.039 0.3 . 1 . . . . . 46 ILE CG2 . 27646 1 324 . 1 . 1 48 48 ILE N N 15 125.818 0.3 . 1 . . . . . 46 ILE N . 27646 1 325 . 1 . 1 49 49 ASP H H 1 9.533 0.020 . 1 . . . . . 47 ASP H . 27646 1 326 . 1 . 1 49 49 ASP C C 13 176.177 0.3 . 1 . . . . . 47 ASP C . 27646 1 327 . 1 . 1 49 49 ASP CA C 13 55.329 0.3 . 1 . . . . . 47 ASP CA . 27646 1 328 . 1 . 1 49 49 ASP CB C 13 39.377 0.3 . 1 . . . . . 47 ASP CB . 27646 1 329 . 1 . 1 49 49 ASP N N 15 130.299 0.3 . 1 . . . . . 47 ASP N . 27646 1 330 . 1 . 1 50 50 GLY H H 1 8.295 0.020 . 1 . . . . . 48 GLY H . 27646 1 331 . 1 . 1 50 50 GLY HA2 H 1 3.488 0.020 . 1 . . . . . 48 GLY HA2 . 27646 1 332 . 1 . 1 50 50 GLY HA3 H 1 3.488 0.020 . 1 . . . . . 48 GLY HA3 . 27646 1 333 . 1 . 1 50 50 GLY C C 13 173.186 0.3 . 1 . . . . . 48 GLY C . 27646 1 334 . 1 . 1 50 50 GLY CA C 13 45.276 0.3 . 1 . . . . . 48 GLY CA . 27646 1 335 . 1 . 1 50 50 GLY N N 15 103.381 0.3 . 1 . . . . . 48 GLY N . 27646 1 336 . 1 . 1 51 51 GLU H H 1 7.704 0.020 . 1 . . . . . 49 GLU H . 27646 1 337 . 1 . 1 51 51 GLU HA H 1 4.613 0.020 . 1 . . . . . 49 GLU HA . 27646 1 338 . 1 . 1 51 51 GLU HB2 H 1 1.800 0.020 . 2 . . . . . 49 GLU HB2 . 27646 1 339 . 1 . 1 51 51 GLU HB3 H 1 2.034 0.020 . 2 . . . . . 49 GLU HB3 . 27646 1 340 . 1 . 1 51 51 GLU C C 13 175.597 0.3 . 1 . . . . . 49 GLU C . 27646 1 341 . 1 . 1 51 51 GLU CA C 13 54.640 0.3 . 1 . . . . . 49 GLU CA . 27646 1 342 . 1 . 1 51 51 GLU CB C 13 31.720 0.3 . 1 . . . . . 49 GLU CB . 27646 1 343 . 1 . 1 51 51 GLU CG C 13 36.296 0.3 . 1 . . . . . 49 GLU CG . 27646 1 344 . 1 . 1 51 51 GLU N N 15 122.618 0.3 . 1 . . . . . 49 GLU N . 27646 1 345 . 1 . 1 52 52 THR H H 1 9.031 0.020 . 1 . . . . . 50 THR H . 27646 1 346 . 1 . 1 52 52 THR HA H 1 4.099 0.020 . 1 . . . . . 50 THR HA . 27646 1 347 . 1 . 1 52 52 THR C C 13 173.522 0.3 . 1 . . . . . 50 THR C . 27646 1 348 . 1 . 1 52 52 THR CA C 13 63.879 0.3 . 1 . . . . . 50 THR CA . 27646 1 349 . 1 . 1 52 52 THR CB C 13 68.062 0.3 . 1 . . . . . 50 THR CB . 27646 1 350 . 1 . 1 52 52 THR CG2 C 13 21.982 0.3 . 1 . . . . . 50 THR CG2 . 27646 1 351 . 1 . 1 52 52 THR N N 15 125.776 0.3 . 1 . . . . . 50 THR N . 27646 1 352 . 1 . 1 53 53 CYS H H 1 9.388 0.020 . 1 . . . . . 51 CYS H . 27646 1 353 . 1 . 1 53 53 CYS HA H 1 5.166 0.020 . 1 . . . . . 51 CYS HA . 27646 1 354 . 1 . 1 53 53 CYS C C 13 171.393 0.3 . 1 . . . . . 51 CYS C . 27646 1 355 . 1 . 1 53 53 CYS CA C 13 56.482 0.3 . 1 . . . . . 51 CYS CA . 27646 1 356 . 1 . 1 53 53 CYS CB C 13 31.135 0.3 . 1 . . . . . 51 CYS CB . 27646 1 357 . 1 . 1 53 53 CYS N N 15 124.928 0.3 . 1 . . . . . 51 CYS N . 27646 1 358 . 1 . 1 54 54 LEU H H 1 8.817 0.020 . 1 . . . . . 52 LEU H . 27646 1 359 . 1 . 1 54 54 LEU HA H 1 4.918 0.020 . 1 . . . . . 52 LEU HA . 27646 1 360 . 1 . 1 54 54 LEU C C 13 175.084 0.3 . 1 . . . . . 52 LEU C . 27646 1 361 . 1 . 1 54 54 LEU CA C 13 53.305 0.3 . 1 . . . . . 52 LEU CA . 27646 1 362 . 1 . 1 54 54 LEU CB C 13 43.982 0.3 . 1 . . . . . 52 LEU CB . 27646 1 363 . 1 . 1 54 54 LEU CG C 13 27.675 0.3 . 1 . . . . . 52 LEU CG . 27646 1 364 . 1 . 1 54 54 LEU CD1 C 13 24.494 0.3 . 1 . . . . . 52 LEU CD1 . 27646 1 365 . 1 . 1 54 54 LEU CD2 C 13 24.494 0.3 . 1 . . . . . 52 LEU CD2 . 27646 1 366 . 1 . 1 54 54 LEU N N 15 122.802 0.3 . 1 . . . . . 52 LEU N . 27646 1 367 . 1 . 1 55 55 LEU H H 1 9.089 0.020 . 1 . . . . . 53 LEU H . 27646 1 368 . 1 . 1 55 55 LEU HA H 1 4.947 0.020 . 1 . . . . . 53 LEU HA . 27646 1 369 . 1 . 1 55 55 LEU C C 13 174.367 0.3 . 1 . . . . . 53 LEU C . 27646 1 370 . 1 . 1 55 55 LEU CA C 13 53.596 0.3 . 1 . . . . . 53 LEU CA . 27646 1 371 . 1 . 1 55 55 LEU CB C 13 41.887 0.3 . 1 . . . . . 53 LEU CB . 27646 1 372 . 1 . 1 55 55 LEU CG C 13 26.373 0.3 . 1 . . . . . 53 LEU CG . 27646 1 373 . 1 . 1 55 55 LEU CD1 C 13 24.452 0.3 . 1 . . . . . 53 LEU CD1 . 27646 1 374 . 1 . 1 55 55 LEU CD2 C 13 24.452 0.3 . 1 . . . . . 53 LEU CD2 . 27646 1 375 . 1 . 1 55 55 LEU N N 15 123.869 0.3 . 1 . . . . . 53 LEU N . 27646 1 376 . 1 . 1 56 56 ASP H H 1 8.713 0.020 . 1 . . . . . 54 ASP H . 27646 1 377 . 1 . 1 56 56 ASP HA H 1 5.152 0.020 . 1 . . . . . 54 ASP HA . 27646 1 378 . 1 . 1 56 56 ASP C C 13 174.976 0.3 . 1 . . . . . 54 ASP C . 27646 1 379 . 1 . 1 56 56 ASP CA C 13 52.978 0.3 . 1 . . . . . 54 ASP CA . 27646 1 380 . 1 . 1 56 56 ASP CB C 13 42.165 0.3 . 1 . . . . . 54 ASP CB . 27646 1 381 . 1 . 1 56 56 ASP N N 15 125.655 0.3 . 1 . . . . . 54 ASP N . 27646 1 382 . 1 . 1 57 57 ILE H H 1 9.223 0.020 . 1 . . . . . 55 ILE H . 27646 1 383 . 1 . 1 57 57 ILE C C 13 174.996 0.3 . 1 . . . . . 55 ILE C . 27646 1 384 . 1 . 1 57 57 ILE CA C 13 60.094 0.3 . 1 . . . . . 55 ILE CA . 27646 1 385 . 1 . 1 57 57 ILE CB C 13 41.986 0.3 . 1 . . . . . 55 ILE CB . 27646 1 386 . 1 . 1 57 57 ILE CG1 C 13 28.211 0.3 . 1 . . . . . 55 ILE CG1 . 27646 1 387 . 1 . 1 57 57 ILE CG2 C 13 19.105 0.3 . 1 . . . . . 55 ILE CG2 . 27646 1 388 . 1 . 1 57 57 ILE N N 15 123.989 0.3 . 1 . . . . . 55 ILE N . 27646 1 389 . 1 . 1 58 58 LEU H H 1 8.690 0.020 . 1 . . . . . 56 LEU H . 27646 1 390 . 1 . 1 58 58 LEU C C 13 173.707 0.3 . 1 . . . . . 56 LEU C . 27646 1 391 . 1 . 1 58 58 LEU CA C 13 54.042 0.3 . 1 . . . . . 56 LEU CA . 27646 1 392 . 1 . 1 58 58 LEU CB C 13 42.831 0.3 . 1 . . . . . 56 LEU CB . 27646 1 393 . 1 . 1 58 58 LEU CG C 13 27.005 0.3 . 1 . . . . . 56 LEU CG . 27646 1 394 . 1 . 1 58 58 LEU CD1 C 13 22.987 0.3 . 1 . . . . . 56 LEU CD1 . 27646 1 395 . 1 . 1 58 58 LEU CD2 C 13 22.987 0.3 . 1 . . . . . 56 LEU CD2 . 27646 1 396 . 1 . 1 58 58 LEU N N 15 127.338 0.3 . 1 . . . . . 56 LEU N . 27646 1 397 . 1 . 1 59 59 ASP H H 1 8.507 0.020 . 1 . . . . . 57 ASP H . 27646 1 398 . 1 . 1 59 59 ASP C C 13 175.436 0.3 . 1 . . . . . 57 ASP C . 27646 1 399 . 1 . 1 59 59 ASP CA C 13 53.106 0.3 . 1 . . . . . 57 ASP CA . 27646 1 400 . 1 . 1 59 59 ASP CB C 13 41.319 0.3 . 1 . . . . . 57 ASP CB . 27646 1 401 . 1 . 1 59 59 ASP N N 15 129.389 0.3 . 1 . . . . . 57 ASP N . 27646 1 402 . 1 . 1 60 60 THR H H 1 6.723 0.020 . 1 . . . . . 58 THR H . 27646 1 403 . 1 . 1 60 60 THR HA H 1 4.492 0.020 . 1 . . . . . 58 THR HA . 27646 1 404 . 1 . 1 60 60 THR C C 13 173.926 0.3 . 1 . . . . . 58 THR C . 27646 1 405 . 1 . 1 60 60 THR CA C 13 61.644 0.3 . 1 . . . . . 58 THR CA . 27646 1 406 . 1 . 1 60 60 THR CB C 13 71.988 0.3 . 1 . . . . . 58 THR CB . 27646 1 407 . 1 . 1 60 60 THR CG2 C 13 18.550 0.3 . 1 . . . . . 58 THR CG2 . 27646 1 408 . 1 . 1 60 60 THR N N 15 109.785 0.3 . 1 . . . . . 58 THR N . 27646 1 409 . 1 . 1 61 61 ALA H H 1 9.113 0.020 . 1 . . . . . 59 ALA H . 27646 1 410 . 1 . 1 61 61 ALA HA H 1 4.682 0.020 . 1 . . . . . 59 ALA HA . 27646 1 411 . 1 . 1 61 61 ALA C C 13 177.922 0.3 . 1 . . . . . 59 ALA C . 27646 1 412 . 1 . 1 61 61 ALA CA C 13 51.728 0.3 . 1 . . . . . 59 ALA CA . 27646 1 413 . 1 . 1 61 61 ALA CB C 13 21.110 0.3 . 1 . . . . . 59 ALA CB . 27646 1 414 . 1 . 1 61 61 ALA N N 15 121.006 0.3 . 1 . . . . . 59 ALA N . 27646 1 415 . 1 . 1 62 62 GLY H H 1 8.478 0.020 . 1 . . . . . 60 GLY H . 27646 1 416 . 1 . 1 62 62 GLY HA2 H 1 4.027 0.020 . 1 . . . . . 60 GLY HA2 . 27646 1 417 . 1 . 1 62 62 GLY HA3 H 1 4.027 0.020 . 1 . . . . . 60 GLY HA3 . 27646 1 418 . 1 . 1 62 62 GLY C C 13 175.172 0.3 . 1 . . . . . 60 GLY C . 27646 1 419 . 1 . 1 62 62 GLY CA C 13 46.085 0.3 . 1 . . . . . 60 GLY CA . 27646 1 420 . 1 . 1 62 62 GLY N N 15 108.010 0.3 . 1 . . . . . 60 GLY N . 27646 1 421 . 1 . 1 63 63 GLN H H 1 8.634 0.020 . 1 . . . . . 61 GLN H . 27646 1 422 . 1 . 1 63 63 GLN HA H 1 4.394 0.020 . 1 . . . . . 61 GLN HA . 27646 1 423 . 1 . 1 63 63 GLN C C 13 176.376 0.3 . 1 . . . . . 61 GLN C . 27646 1 424 . 1 . 1 63 63 GLN CA C 13 56.324 0.3 . 1 . . . . . 61 GLN CA . 27646 1 425 . 1 . 1 63 63 GLN CB C 13 29.127 0.3 . 1 . . . . . 61 GLN CB . 27646 1 426 . 1 . 1 63 63 GLN CG C 13 34.059 0.3 . 1 . . . . . 61 GLN CG . 27646 1 427 . 1 . 1 63 63 GLN N N 15 119.068 0.3 . 1 . . . . . 61 GLN N . 27646 1 428 . 1 . 1 64 64 GLU H H 1 8.763 0.020 . 1 . . . . . 62 GLU H . 27646 1 429 . 1 . 1 64 64 GLU HA H 1 4.170 0.020 . 1 . . . . . 62 GLU HA . 27646 1 430 . 1 . 1 64 64 GLU C C 13 176.768 0.3 . 1 . . . . . 62 GLU C . 27646 1 431 . 1 . 1 64 64 GLU CA C 13 57.621 0.3 . 1 . . . . . 62 GLU CA . 27646 1 432 . 1 . 1 64 64 GLU CB C 13 29.529 0.3 . 1 . . . . . 62 GLU CB . 27646 1 433 . 1 . 1 64 64 GLU CG C 13 36.399 0.3 . 1 . . . . . 62 GLU CG . 27646 1 434 . 1 . 1 64 64 GLU N N 15 120.668 0.3 . 1 . . . . . 62 GLU N . 27646 1 435 . 1 . 1 65 65 GLU H H 1 8.315 0.020 . 1 . . . . . 63 GLU H . 27646 1 436 . 1 . 1 65 65 GLU HA H 1 4.184 0.020 . 1 . . . . . 63 GLU HA . 27646 1 437 . 1 . 1 65 65 GLU C C 13 175.890 0.3 . 1 . . . . . 63 GLU C . 27646 1 438 . 1 . 1 65 65 GLU CA C 13 56.520 0.3 . 1 . . . . . 63 GLU CA . 27646 1 439 . 1 . 1 65 65 GLU CB C 13 30.300 0.3 . 1 . . . . . 63 GLU CB . 27646 1 440 . 1 . 1 65 65 GLU CG C 13 36.148 0.3 . 1 . . . . . 63 GLU CG . 27646 1 441 . 1 . 1 65 65 GLU N N 15 120.167 0.3 . 1 . . . . . 63 GLU N . 27646 1 442 . 1 . 1 66 66 TYR H H 1 8.317 0.020 . 1 . . . . . 64 TYR H . 27646 1 443 . 1 . 1 66 66 TYR C C 13 175.630 0.3 . 1 . . . . . 64 TYR C . 27646 1 444 . 1 . 1 66 66 TYR CA C 13 58.238 0.3 . 1 . . . . . 64 TYR CA . 27646 1 445 . 1 . 1 66 66 TYR CB C 13 38.297 0.3 . 1 . . . . . 64 TYR CB . 27646 1 446 . 1 . 1 66 66 TYR N N 15 121.164 0.3 . 1 . . . . . 64 TYR N . 27646 1 447 . 1 . 1 67 67 SER H H 1 7.890 0.020 . 1 . . . . . 65 SER H . 27646 1 448 . 1 . 1 67 67 SER HA H 1 4.712 0.020 . 1 . . . . . 65 SER HA . 27646 1 449 . 1 . 1 67 67 SER C C 13 174.225 0.3 . 1 . . . . . 65 SER C . 27646 1 450 . 1 . 1 67 67 SER CA C 13 56.623 0.3 . 1 . . . . . 65 SER CA . 27646 1 451 . 1 . 1 67 67 SER CB C 13 64.004 0.3 . 1 . . . . . 65 SER CB . 27646 1 452 . 1 . 1 67 67 SER N N 15 120.134 0.3 . 1 . . . . . 65 SER N . 27646 1 453 . 1 . 1 68 68 ALA H H 1 8.817 0.020 . 1 . . . . . 66 ALA H . 27646 1 454 . 1 . 1 68 68 ALA C C 13 180.206 0.3 . 1 . . . . . 66 ALA C . 27646 1 455 . 1 . 1 68 68 ALA CA C 13 54.891 0.3 . 1 . . . . . 66 ALA CA . 27646 1 456 . 1 . 1 68 68 ALA CB C 13 18.048 0.3 . 1 . . . . . 66 ALA CB . 27646 1 457 . 1 . 1 68 68 ALA N N 15 129.313 0.3 . 1 . . . . . 66 ALA N . 27646 1 458 . 1 . 1 69 69 MET H H 1 8.310 0.020 . 1 . . . . . 67 MET H . 27646 1 459 . 1 . 1 69 69 MET HA H 1 4.302 0.020 . 1 . . . . . 67 MET HA . 27646 1 460 . 1 . 1 69 69 MET C C 13 177.618 0.3 . 1 . . . . . 67 MET C . 27646 1 461 . 1 . 1 69 69 MET CA C 13 57.901 0.3 . 1 . . . . . 67 MET CA . 27646 1 462 . 1 . 1 69 69 MET CB C 13 32.864 0.3 . 1 . . . . . 67 MET CB . 27646 1 463 . 1 . 1 69 69 MET N N 15 117.868 0.3 . 1 . . . . . 67 MET N . 27646 1 464 . 1 . 1 70 70 ARG H H 1 7.911 0.020 . 1 . . . . . 68 ARG H . 27646 1 465 . 1 . 1 70 70 ARG HA H 1 4.321 0.020 . 1 . . . . . 68 ARG HA . 27646 1 466 . 1 . 1 70 70 ARG HB2 H 1 1.893 0.020 . 1 . . . . . 68 ARG HB2 . 27646 1 467 . 1 . 1 70 70 ARG HB3 H 1 1.893 0.020 . 1 . . . . . 68 ARG HB3 . 27646 1 468 . 1 . 1 70 70 ARG C C 13 178.028 0.3 . 1 . . . . . 68 ARG C . 27646 1 469 . 1 . 1 70 70 ARG CA C 13 59.087 0.3 . 1 . . . . . 68 ARG CA . 27646 1 470 . 1 . 1 70 70 ARG CB C 13 29.631 0.3 . 1 . . . . . 68 ARG CB . 27646 1 471 . 1 . 1 70 70 ARG N N 15 120.941 0.3 . 1 . . . . . 68 ARG N . 27646 1 472 . 1 . 1 71 71 ASP H H 1 8.152 0.020 . 1 . . . . . 69 ASP H . 27646 1 473 . 1 . 1 71 71 ASP HA H 1 4.262 0.020 . 1 . . . . . 69 ASP HA . 27646 1 474 . 1 . 1 71 71 ASP HB2 H 1 2.712 0.020 . 1 . . . . . 69 ASP HB2 . 27646 1 475 . 1 . 1 71 71 ASP HB3 H 1 2.712 0.020 . 1 . . . . . 69 ASP HB3 . 27646 1 476 . 1 . 1 71 71 ASP C C 13 178.024 0.3 . 1 . . . . . 69 ASP C . 27646 1 477 . 1 . 1 71 71 ASP CA C 13 57.600 0.3 . 1 . . . . . 69 ASP CA . 27646 1 478 . 1 . 1 71 71 ASP CB C 13 40.901 0.3 . 1 . . . . . 69 ASP CB . 27646 1 479 . 1 . 1 71 71 ASP N N 15 118.608 0.3 . 1 . . . . . 69 ASP N . 27646 1 480 . 1 . 1 72 72 GLN H H 1 7.863 0.020 . 1 . . . . . 70 GLN H . 27646 1 481 . 1 . 1 72 72 GLN HA H 1 3.999 0.020 . 1 . . . . . 70 GLN HA . 27646 1 482 . 1 . 1 72 72 GLN HB2 H 1 2.200 0.020 . 1 . . . . . 70 GLN HB2 . 27646 1 483 . 1 . 1 72 72 GLN HB3 H 1 2.200 0.020 . 1 . . . . . 70 GLN HB3 . 27646 1 484 . 1 . 1 72 72 GLN C C 13 179.446 0.3 . 1 . . . . . 70 GLN C . 27646 1 485 . 1 . 1 72 72 GLN CA C 13 59.163 0.3 . 1 . . . . . 70 GLN CA . 27646 1 486 . 1 . 1 72 72 GLN CB C 13 28.043 0.3 . 1 . . . . . 70 GLN CB . 27646 1 487 . 1 . 1 72 72 GLN N N 15 117.518 0.3 . 1 . . . . . 70 GLN N . 27646 1 488 . 1 . 1 73 73 TYR H H 1 8.272 0.020 . 1 . . . . . 71 TYR H . 27646 1 489 . 1 . 1 73 73 TYR HA H 1 4.173 0.020 . 1 . . . . . 71 TYR HA . 27646 1 490 . 1 . 1 73 73 TYR C C 13 178.565 0.3 . 1 . . . . . 71 TYR C . 27646 1 491 . 1 . 1 73 73 TYR CA C 13 61.154 0.3 . 1 . . . . . 71 TYR CA . 27646 1 492 . 1 . 1 73 73 TYR CB C 13 37.986 0.3 . 1 . . . . . 71 TYR CB . 27646 1 493 . 1 . 1 73 73 TYR N N 15 119.940 0.3 . 1 . . . . . 71 TYR N . 27646 1 494 . 1 . 1 74 74 MET H H 1 8.589 0.020 . 1 . . . . . 72 MET H . 27646 1 495 . 1 . 1 74 74 MET HA H 1 4.492 0.020 . 1 . . . . . 72 MET HA . 27646 1 496 . 1 . 1 74 74 MET C C 13 177.062 0.3 . 1 . . . . . 72 MET C . 27646 1 497 . 1 . 1 74 74 MET CA C 13 58.273 0.3 . 1 . . . . . 72 MET CA . 27646 1 498 . 1 . 1 74 74 MET CB C 13 30.587 0.3 . 1 . . . . . 72 MET CB . 27646 1 499 . 1 . 1 74 74 MET N N 15 119.048 0.3 . 1 . . . . . 72 MET N . 27646 1 500 . 1 . 1 75 75 ARG H H 1 7.975 0.020 . 1 . . . . . 73 ARG H . 27646 1 501 . 1 . 1 75 75 ARG HA H 1 3.997 0.020 . 1 . . . . . 73 ARG HA . 27646 1 502 . 1 . 1 75 75 ARG HB2 H 1 1.902 0.020 . 1 . . . . . 73 ARG HB2 . 27646 1 503 . 1 . 1 75 75 ARG HB3 H 1 1.902 0.020 . 1 . . . . . 73 ARG HB3 . 27646 1 504 . 1 . 1 75 75 ARG C C 13 179.096 0.3 . 1 . . . . . 73 ARG C . 27646 1 505 . 1 . 1 75 75 ARG CA C 13 59.652 0.3 . 1 . . . . . 73 ARG CA . 27646 1 506 . 1 . 1 75 75 ARG CB C 13 30.467 0.3 . 1 . . . . . 73 ARG CB . 27646 1 507 . 1 . 1 75 75 ARG N N 15 115.571 0.3 . 1 . . . . . 73 ARG N . 27646 1 508 . 1 . 1 76 76 THR H H 1 7.945 0.020 . 1 . . . . . 74 THR H . 27646 1 509 . 1 . 1 76 76 THR HA H 1 4.365 0.020 . 1 . . . . . 74 THR HA . 27646 1 510 . 1 . 1 76 76 THR C C 13 175.600 0.3 . 1 . . . . . 74 THR C . 27646 1 511 . 1 . 1 76 76 THR CA C 13 62.374 0.3 . 1 . . . . . 74 THR CA . 27646 1 512 . 1 . 1 76 76 THR CB C 13 69.953 0.3 . 1 . . . . . 74 THR CB . 27646 1 513 . 1 . 1 76 76 THR CG2 C 13 21.731 0.3 . 1 . . . . . 74 THR CG2 . 27646 1 514 . 1 . 1 76 76 THR N N 15 107.823 0.3 . 1 . . . . . 74 THR N . 27646 1 515 . 1 . 1 77 77 GLY H H 1 8.025 0.020 . 1 . . . . . 75 GLY H . 27646 1 516 . 1 . 1 77 77 GLY HA2 H 1 3.429 0.020 . 1 . . . . . 75 GLY HA2 . 27646 1 517 . 1 . 1 77 77 GLY HA3 H 1 3.429 0.020 . 1 . . . . . 75 GLY HA3 . 27646 1 518 . 1 . 1 77 77 GLY C C 13 172.806 0.3 . 1 . . . . . 75 GLY C . 27646 1 519 . 1 . 1 77 77 GLY CA C 13 46.151 0.3 . 1 . . . . . 75 GLY CA . 27646 1 520 . 1 . 1 77 77 GLY N N 15 111.427 0.3 . 1 . . . . . 75 GLY N . 27646 1 521 . 1 . 1 78 78 GLU H H 1 8.936 0.020 . 1 . . . . . 76 GLU H . 27646 1 522 . 1 . 1 78 78 GLU HA H 1 4.481 0.020 . 1 . . . . . 76 GLU HA . 27646 1 523 . 1 . 1 78 78 GLU HB2 H 1 2.312 0.020 . 2 . . . . . 76 GLU HB2 . 27646 1 524 . 1 . 1 78 78 GLU HB3 H 1 2.301 0.020 . 2 . . . . . 76 GLU HB3 . 27646 1 525 . 1 . 1 78 78 GLU C C 13 176.527 0.3 . 1 . . . . . 76 GLU C . 27646 1 526 . 1 . 1 78 78 GLU CA C 13 56.773 0.3 . 1 . . . . . 76 GLU CA . 27646 1 527 . 1 . 1 78 78 GLU CB C 13 32.406 0.3 . 1 . . . . . 76 GLU CB . 27646 1 528 . 1 . 1 78 78 GLU N N 15 121.946 0.3 . 1 . . . . . 76 GLU N . 27646 1 529 . 1 . 1 79 79 GLY H H 1 7.193 0.020 . 1 . . . . . 77 GLY H . 27646 1 530 . 1 . 1 79 79 GLY HA2 H 1 5.005 0.020 . 1 . . . . . 77 GLY HA2 . 27646 1 531 . 1 . 1 79 79 GLY HA3 H 1 5.005 0.020 . 1 . . . . . 77 GLY HA3 . 27646 1 532 . 1 . 1 79 79 GLY C C 13 170.661 0.3 . 1 . . . . . 77 GLY C . 27646 1 533 . 1 . 1 79 79 GLY CA C 13 45.554 0.3 . 1 . . . . . 77 GLY CA . 27646 1 534 . 1 . 1 79 79 GLY N N 15 100.907 0.3 . 1 . . . . . 77 GLY N . 27646 1 535 . 1 . 1 80 80 PHE H H 1 8.182 0.020 . 1 . . . . . 78 PHE H . 27646 1 536 . 1 . 1 80 80 PHE HA H 1 5.400 0.020 . 1 . . . . . 78 PHE HA . 27646 1 537 . 1 . 1 80 80 PHE C C 13 173.639 0.3 . 1 . . . . . 78 PHE C . 27646 1 538 . 1 . 1 80 80 PHE CA C 13 56.750 0.3 . 1 . . . . . 78 PHE CA . 27646 1 539 . 1 . 1 80 80 PHE CB C 13 42.664 0.3 . 1 . . . . . 78 PHE CB . 27646 1 540 . 1 . 1 80 80 PHE N N 15 121.300 0.3 . 1 . . . . . 78 PHE N . 27646 1 541 . 1 . 1 81 81 LEU H H 1 9.233 0.020 . 1 . . . . . 79 LEU H . 27646 1 542 . 1 . 1 81 81 LEU HA H 1 4.682 0.020 . 1 . . . . . 79 LEU HA . 27646 1 543 . 1 . 1 81 81 LEU C C 13 174.750 0.3 . 1 . . . . . 79 LEU C . 27646 1 544 . 1 . 1 81 81 LEU CA C 13 53.795 0.3 . 1 . . . . . 79 LEU CA . 27646 1 545 . 1 . 1 81 81 LEU CB C 13 43.166 0.3 . 1 . . . . . 79 LEU CB . 27646 1 546 . 1 . 1 81 81 LEU CG C 13 25.454 0.3 . 1 . . . . . 79 LEU CG . 27646 1 547 . 1 . 1 81 81 LEU N N 15 126.727 0.3 . 1 . . . . . 79 LEU N . 27646 1 548 . 1 . 1 82 82 CYS H H 1 8.755 0.020 . 1 . . . . . 80 CYS H . 27646 1 549 . 1 . 1 82 82 CYS HA H 1 4.712 0.020 . 1 . . . . . 80 CYS HA . 27646 1 550 . 1 . 1 82 82 CYS C C 13 172.792 0.3 . 1 . . . . . 80 CYS C . 27646 1 551 . 1 . 1 82 82 CYS CA C 13 57.678 0.3 . 1 . . . . . 80 CYS CA . 27646 1 552 . 1 . 1 82 82 CYS CB C 13 27.626 0.3 . 1 . . . . . 80 CYS CB . 27646 1 553 . 1 . 1 82 82 CYS N N 15 124.626 0.3 . 1 . . . . . 80 CYS N . 27646 1 554 . 1 . 1 83 83 VAL H H 1 8.992 0.020 . 1 . . . . . 81 VAL H . 27646 1 555 . 1 . 1 83 83 VAL HA H 1 4.961 0.020 . 1 . . . . . 81 VAL HA . 27646 1 556 . 1 . 1 83 83 VAL C C 13 174.999 0.3 . 1 . . . . . 81 VAL C . 27646 1 557 . 1 . 1 83 83 VAL CA C 13 61.274 0.3 . 1 . . . . . 81 VAL CA . 27646 1 558 . 1 . 1 83 83 VAL CB C 13 33.391 0.3 . 1 . . . . . 81 VAL CB . 27646 1 559 . 1 . 1 83 83 VAL N N 15 126.111 0.3 . 1 . . . . . 81 VAL N . 27646 1 560 . 1 . 1 84 84 PHE H H 1 9.316 0.020 . 1 . . . . . 82 PHE H . 27646 1 561 . 1 . 1 84 84 PHE HA H 1 5.019 0.020 . 1 . . . . . 82 PHE HA . 27646 1 562 . 1 . 1 84 84 PHE C C 13 171.247 0.3 . 1 . . . . . 82 PHE C . 27646 1 563 . 1 . 1 84 84 PHE CA C 13 55.235 0.3 . 1 . . . . . 82 PHE CA . 27646 1 564 . 1 . 1 84 84 PHE CB C 13 40.566 0.3 . 1 . . . . . 82 PHE CB . 27646 1 565 . 1 . 1 84 84 PHE N N 15 123.673 0.3 . 1 . . . . . 82 PHE N . 27646 1 566 . 1 . 1 85 85 ALA H H 1 8.804 0.020 . 1 . . . . . 83 ALA H . 27646 1 567 . 1 . 1 85 85 ALA HA H 1 5.107 0.020 . 1 . . . . . 83 ALA HA . 27646 1 568 . 1 . 1 85 85 ALA C C 13 179.296 0.3 . 1 . . . . . 83 ALA C . 27646 1 569 . 1 . 1 85 85 ALA CA C 13 49.786 0.3 . 1 . . . . . 83 ALA CA . 27646 1 570 . 1 . 1 85 85 ALA CB C 13 21.528 0.3 . 1 . . . . . 83 ALA CB . 27646 1 571 . 1 . 1 85 85 ALA N N 15 121.522 0.3 . 1 . . . . . 83 ALA N . 27646 1 572 . 1 . 1 86 86 ILE H H 1 8.507 0.020 . 1 . . . . . 84 ILE H . 27646 1 573 . 1 . 1 86 86 ILE HA H 1 4.038 0.020 . 1 . . . . . 84 ILE HA . 27646 1 574 . 1 . 1 86 86 ILE C C 13 174.122 0.3 . 1 . . . . . 84 ILE C . 27646 1 575 . 1 . 1 86 86 ILE CA C 13 63.346 0.3 . 1 . . . . . 84 ILE CA . 27646 1 576 . 1 . 1 86 86 ILE N N 15 113.597 0.3 . 1 . . . . . 84 ILE N . 27646 1 577 . 1 . 1 87 87 ASN H H 1 7.914 0.020 . 1 . . . . . 85 ASN H . 27646 1 578 . 1 . 1 87 87 ASN HA H 1 5.034 0.020 . 1 . . . . . 85 ASN HA . 27646 1 579 . 1 . 1 87 87 ASN C C 13 174.663 0.3 . 1 . . . . . 85 ASN C . 27646 1 580 . 1 . 1 87 87 ASN CA C 13 52.072 0.3 . 1 . . . . . 85 ASN CA . 27646 1 581 . 1 . 1 87 87 ASN CB C 13 37.902 0.3 . 1 . . . . . 85 ASN CB . 27646 1 582 . 1 . 1 87 87 ASN N N 15 117.024 0.3 . 1 . . . . . 85 ASN N . 27646 1 583 . 1 . 1 88 88 ASN H H 1 7.902 0.020 . 1 . . . . . 86 ASN H . 27646 1 584 . 1 . 1 88 88 ASN HA H 1 5.049 0.020 . 1 . . . . . 86 ASN HA . 27646 1 585 . 1 . 1 88 88 ASN C C 13 174.892 0.3 . 1 . . . . . 86 ASN C . 27646 1 586 . 1 . 1 88 88 ASN CA C 13 52.200 0.3 . 1 . . . . . 86 ASN CA . 27646 1 587 . 1 . 1 88 88 ASN CB C 13 39.502 0.3 . 1 . . . . . 86 ASN CB . 27646 1 588 . 1 . 1 88 88 ASN N N 15 119.308 0.3 . 1 . . . . . 86 ASN N . 27646 1 589 . 1 . 1 89 89 THR C C 13 176.139 0.3 . 1 . . . . . 87 THR C . 27646 1 590 . 1 . 1 89 89 THR CA C 13 66.791 0.3 . 1 . . . . . 87 THR CA . 27646 1 591 . 1 . 1 89 89 THR CB C 13 68.312 0.3 . 1 . . . . . 87 THR CB . 27646 1 592 . 1 . 1 89 89 THR CG2 C 13 22.614 0.3 . 1 . . . . . 87 THR CG2 . 27646 1 593 . 1 . 1 90 90 LYS H H 1 8.468 0.020 . 1 . . . . . 88 LYS H . 27646 1 594 . 1 . 1 90 90 LYS HA H 1 4.184 0.020 . 1 . . . . . 88 LYS HA . 27646 1 595 . 1 . 1 90 90 LYS C C 13 178.131 0.3 . 1 . . . . . 88 LYS C . 27646 1 596 . 1 . 1 90 90 LYS CA C 13 59.436 0.3 . 1 . . . . . 88 LYS CA . 27646 1 597 . 1 . 1 90 90 LYS CB C 13 31.308 0.3 . 1 . . . . . 88 LYS CB . 27646 1 598 . 1 . 1 90 90 LYS CG C 13 24.702 0.3 . 1 . . . . . 88 LYS CG . 27646 1 599 . 1 . 1 90 90 LYS CD C 13 28.545 0.3 . 1 . . . . . 88 LYS CD . 27646 1 600 . 1 . 1 90 90 LYS N N 15 124.149 0.3 . 1 . . . . . 88 LYS N . 27646 1 601 . 1 . 1 91 91 SER H H 1 8.154 0.020 . 1 . . . . . 89 SER H . 27646 1 602 . 1 . 1 91 91 SER HA H 1 4.228 0.020 . 1 . . . . . 89 SER HA . 27646 1 603 . 1 . 1 91 91 SER C C 13 175.816 0.3 . 1 . . . . . 89 SER C . 27646 1 604 . 1 . 1 91 91 SER CA C 13 61.756 0.3 . 1 . . . . . 89 SER CA . 27646 1 605 . 1 . 1 91 91 SER CB C 13 63.534 0.3 . 1 . . . . . 89 SER CB . 27646 1 606 . 1 . 1 91 91 SER N N 15 114.399 0.3 . 1 . . . . . 89 SER N . 27646 1 607 . 1 . 1 92 92 PHE H H 1 7.443 0.020 . 1 . . . . . 90 PHE H . 27646 1 608 . 1 . 1 92 92 PHE HA H 1 4.067 0.020 . 1 . . . . . 90 PHE HA . 27646 1 609 . 1 . 1 92 92 PHE C C 13 177.364 0.3 . 1 . . . . . 90 PHE C . 27646 1 610 . 1 . 1 92 92 PHE CA C 13 59.826 0.3 . 1 . . . . . 90 PHE CA . 27646 1 611 . 1 . 1 92 92 PHE CB C 13 40.042 0.3 . 1 . . . . . 90 PHE CB . 27646 1 612 . 1 . 1 92 92 PHE N N 15 124.691 0.3 . 1 . . . . . 90 PHE N . 27646 1 613 . 1 . 1 93 93 GLU H H 1 8.476 0.020 . 1 . . . . . 91 GLU H . 27646 1 614 . 1 . 1 93 93 GLU HA H 1 3.789 0.020 . 1 . . . . . 91 GLU HA . 27646 1 615 . 1 . 1 93 93 GLU C C 13 179.580 0.3 . 1 . . . . . 91 GLU C . 27646 1 616 . 1 . 1 93 93 GLU CA C 13 59.115 0.3 . 1 . . . . . 91 GLU CA . 27646 1 617 . 1 . 1 93 93 GLU CB C 13 29.063 0.3 . 1 . . . . . 91 GLU CB . 27646 1 618 . 1 . 1 93 93 GLU CG C 13 36.733 0.3 . 1 . . . . . 91 GLU CG . 27646 1 619 . 1 . 1 93 93 GLU N N 15 121.884 0.3 . 1 . . . . . 91 GLU N . 27646 1 620 . 1 . 1 94 94 ASP H H 1 8.498 0.020 . 1 . . . . . 92 ASP H . 27646 1 621 . 1 . 1 94 94 ASP HA H 1 4.551 0.020 . 1 . . . . . 92 ASP HA . 27646 1 622 . 1 . 1 94 94 ASP C C 13 177.662 0.3 . 1 . . . . . 92 ASP C . 27646 1 623 . 1 . 1 94 94 ASP CA C 13 56.112 0.3 . 1 . . . . . 92 ASP CA . 27646 1 624 . 1 . 1 94 94 ASP CB C 13 41.186 0.3 . 1 . . . . . 92 ASP CB . 27646 1 625 . 1 . 1 94 94 ASP N N 15 116.950 0.3 . 1 . . . . . 92 ASP N . 27646 1 626 . 1 . 1 95 95 ILE H H 1 7.625 0.020 . 1 . . . . . 93 ILE H . 27646 1 627 . 1 . 1 95 95 ILE C C 13 177.369 0.3 . 1 . . . . . 93 ILE C . 27646 1 628 . 1 . 1 95 95 ILE CA C 13 62.563 0.3 . 1 . . . . . 93 ILE CA . 27646 1 629 . 1 . 1 95 95 ILE CB C 13 34.068 0.3 . 1 . . . . . 93 ILE CB . 27646 1 630 . 1 . 1 95 95 ILE CG1 C 13 26.670 0.3 . 1 . . . . . 93 ILE CG1 . 27646 1 631 . 1 . 1 95 95 ILE CG2 C 13 17.379 0.3 . 1 . . . . . 93 ILE CG2 . 27646 1 632 . 1 . 1 95 95 ILE N N 15 120.586 0.3 . 1 . . . . . 93 ILE N . 27646 1 633 . 1 . 1 96 96 HIS H H 1 7.728 0.020 . 1 . . . . . 94 HIS H . 27646 1 634 . 1 . 1 96 96 HIS C C 13 177.102 0.3 . 1 . . . . . 94 HIS C . 27646 1 635 . 1 . 1 96 96 HIS CA C 13 59.981 0.3 . 1 . . . . . 94 HIS CA . 27646 1 636 . 1 . 1 96 96 HIS CB C 13 30.353 0.3 . 1 . . . . . 94 HIS CB . 27646 1 637 . 1 . 1 96 96 HIS N N 15 116.876 0.3 . 1 . . . . . 94 HIS N . 27646 1 638 . 1 . 1 97 97 HIS H H 1 7.248 0.020 . 1 . . . . . 95 HIS H . 27646 1 639 . 1 . 1 97 97 HIS HA H 1 4.199 0.020 . 1 . . . . . 95 HIS HA . 27646 1 640 . 1 . 1 97 97 HIS C C 13 178.346 0.3 . 1 . . . . . 95 HIS C . 27646 1 641 . 1 . 1 97 97 HIS CA C 13 58.638 0.3 . 1 . . . . . 95 HIS CA . 27646 1 642 . 1 . 1 97 97 HIS CB C 13 29.130 0.3 . 1 . . . . . 95 HIS CB . 27646 1 643 . 1 . 1 97 97 HIS N N 15 117.222 0.3 . 1 . . . . . 95 HIS N . 27646 1 644 . 1 . 1 98 98 TYR H H 1 7.672 0.020 . 1 . . . . . 96 TYR H . 27646 1 645 . 1 . 1 98 98 TYR HA H 1 3.994 0.020 . 1 . . . . . 96 TYR HA . 27646 1 646 . 1 . 1 98 98 TYR C C 13 177.800 0.3 . 1 . . . . . 96 TYR C . 27646 1 647 . 1 . 1 98 98 TYR CA C 13 63.049 0.3 . 1 . . . . . 96 TYR CA . 27646 1 648 . 1 . 1 98 98 TYR CB C 13 37.715 0.3 . 1 . . . . . 96 TYR CB . 27646 1 649 . 1 . 1 98 98 TYR N N 15 118.721 0.3 . 1 . . . . . 96 TYR N . 27646 1 650 . 1 . 1 99 99 ARG H H 1 8.506 0.020 . 1 . . . . . 97 ARG H . 27646 1 651 . 1 . 1 99 99 ARG HA H 1 4.170 0.020 . 1 . . . . . 97 ARG HA . 27646 1 652 . 1 . 1 99 99 ARG C C 13 177.560 0.3 . 1 . . . . . 97 ARG C . 27646 1 653 . 1 . 1 99 99 ARG CA C 13 59.995 0.3 . 1 . . . . . 97 ARG CA . 27646 1 654 . 1 . 1 99 99 ARG CB C 13 28.659 0.3 . 1 . . . . . 97 ARG CB . 27646 1 655 . 1 . 1 99 99 ARG CG C 13 28.009 0.3 . 1 . . . . . 97 ARG CG . 27646 1 656 . 1 . 1 99 99 ARG CD C 13 43.160 0.3 . 1 . . . . . 97 ARG CD . 27646 1 657 . 1 . 1 99 99 ARG N N 15 118.768 0.3 . 1 . . . . . 97 ARG N . 27646 1 658 . 1 . 1 100 100 GLU H H 1 7.954 0.020 . 1 . . . . . 98 GLU H . 27646 1 659 . 1 . 1 100 100 GLU HA H 1 4.243 0.020 . 1 . . . . . 98 GLU HA . 27646 1 660 . 1 . 1 100 100 GLU C C 13 178.877 0.3 . 1 . . . . . 98 GLU C . 27646 1 661 . 1 . 1 100 100 GLU CA C 13 59.039 0.3 . 1 . . . . . 98 GLU CA . 27646 1 662 . 1 . 1 100 100 GLU CB C 13 29.052 0.3 . 1 . . . . . 98 GLU CB . 27646 1 663 . 1 . 1 100 100 GLU N N 15 117.683 0.3 . 1 . . . . . 98 GLU N . 27646 1 664 . 1 . 1 101 101 GLN H H 1 7.817 0.020 . 1 . . . . . 99 GLN H . 27646 1 665 . 1 . 1 101 101 GLN HA H 1 4.316 0.020 . 1 . . . . . 99 GLN HA . 27646 1 666 . 1 . 1 101 101 GLN C C 13 177.940 0.3 . 1 . . . . . 99 GLN C . 27646 1 667 . 1 . 1 101 101 GLN CA C 13 58.960 0.3 . 1 . . . . . 99 GLN CA . 27646 1 668 . 1 . 1 101 101 GLN CB C 13 28.354 0.3 . 1 . . . . . 99 GLN CB . 27646 1 669 . 1 . 1 101 101 GLN CG C 13 33.551 0.3 . 1 . . . . . 99 GLN CG . 27646 1 670 . 1 . 1 101 101 GLN N N 15 119.362 0.3 . 1 . . . . . 99 GLN N . 27646 1 671 . 1 . 1 102 102 ILE H H 1 7.781 0.020 . 1 . . . . . 100 ILE H . 27646 1 672 . 1 . 1 102 102 ILE C C 13 177.125 0.3 . 1 . . . . . 100 ILE C . 27646 1 673 . 1 . 1 102 102 ILE CA C 13 65.343 0.3 . 1 . . . . . 100 ILE CA . 27646 1 674 . 1 . 1 102 102 ILE CB C 13 37.811 0.3 . 1 . . . . . 100 ILE CB . 27646 1 675 . 1 . 1 102 102 ILE CG1 C 13 29.600 0.3 . 1 . . . . . 100 ILE CG1 . 27646 1 676 . 1 . 1 102 102 ILE CG2 C 13 17.797 0.3 . 1 . . . . . 100 ILE CG2 . 27646 1 677 . 1 . 1 102 102 ILE N N 15 119.959 0.3 . 1 . . . . . 100 ILE N . 27646 1 678 . 1 . 1 103 103 LYS H H 1 7.866 0.020 . 1 . . . . . 101 LYS H . 27646 1 679 . 1 . 1 103 103 LYS HA H 1 3.994 0.020 . 1 . . . . . 101 LYS HA . 27646 1 680 . 1 . 1 103 103 LYS C C 13 179.428 0.3 . 1 . . . . . 101 LYS C . 27646 1 681 . 1 . 1 103 103 LYS CA C 13 59.640 0.3 . 1 . . . . . 101 LYS CA . 27646 1 682 . 1 . 1 103 103 LYS CB C 13 32.169 0.3 . 1 . . . . . 101 LYS CB . 27646 1 683 . 1 . 1 103 103 LYS CG C 13 24.745 0.3 . 1 . . . . . 101 LYS CG . 27646 1 684 . 1 . 1 103 103 LYS CD C 13 29.851 0.3 . 1 . . . . . 101 LYS CD . 27646 1 685 . 1 . 1 103 103 LYS N N 15 117.492 0.3 . 1 . . . . . 101 LYS N . 27646 1 686 . 1 . 1 104 104 ARG H H 1 7.766 0.020 . 1 . . . . . 102 ARG H . 27646 1 687 . 1 . 1 104 104 ARG HA H 1 4.067 0.020 . 1 . . . . . 102 ARG HA . 27646 1 688 . 1 . 1 104 104 ARG C C 13 179.419 0.3 . 1 . . . . . 102 ARG C . 27646 1 689 . 1 . 1 104 104 ARG CA C 13 58.945 0.3 . 1 . . . . . 102 ARG CA . 27646 1 690 . 1 . 1 104 104 ARG CB C 13 29.920 0.3 . 1 . . . . . 102 ARG CB . 27646 1 691 . 1 . 1 104 104 ARG CG C 13 27.256 0.3 . 1 . . . . . 102 ARG CG . 27646 1 692 . 1 . 1 104 104 ARG CD C 13 43.412 0.3 . 1 . . . . . 102 ARG CD . 27646 1 693 . 1 . 1 104 104 ARG N N 15 117.597 0.3 . 1 . . . . . 102 ARG N . 27646 1 694 . 1 . 1 105 105 VAL H H 1 8.021 0.020 . 1 . . . . . 103 VAL H . 27646 1 695 . 1 . 1 105 105 VAL HA H 1 3.862 0.020 . 1 . . . . . 103 VAL HA . 27646 1 696 . 1 . 1 105 105 VAL C C 13 177.728 0.3 . 1 . . . . . 103 VAL C . 27646 1 697 . 1 . 1 105 105 VAL CA C 13 65.167 0.3 . 1 . . . . . 103 VAL CA . 27646 1 698 . 1 . 1 105 105 VAL CB C 13 31.648 0.3 . 1 . . . . . 103 VAL CB . 27646 1 699 . 1 . 1 105 105 VAL CG1 C 13 21.945 0.3 . 1 . . . . . 103 VAL CG1 . 27646 1 700 . 1 . 1 105 105 VAL CG2 C 13 21.945 0.3 . 1 . . . . . 103 VAL CG2 . 27646 1 701 . 1 . 1 105 105 VAL N N 15 118.189 0.3 . 1 . . . . . 103 VAL N . 27646 1 702 . 1 . 1 106 106 LYS H H 1 8.014 0.020 . 1 . . . . . 104 LYS H . 27646 1 703 . 1 . 1 106 106 LYS HA H 1 4.228 0.020 . 1 . . . . . 104 LYS HA . 27646 1 704 . 1 . 1 106 106 LYS C C 13 176.063 0.3 . 1 . . . . . 104 LYS C . 27646 1 705 . 1 . 1 106 106 LYS CA C 13 54.957 0.3 . 1 . . . . . 104 LYS CA . 27646 1 706 . 1 . 1 106 106 LYS CB C 13 30.996 0.3 . 1 . . . . . 104 LYS CB . 27646 1 707 . 1 . 1 106 106 LYS CG C 13 24.243 0.3 . 1 . . . . . 104 LYS CG . 27646 1 708 . 1 . 1 106 106 LYS CD C 13 27.926 0.3 . 1 . . . . . 104 LYS CD . 27646 1 709 . 1 . 1 106 106 LYS N N 15 116.684 0.3 . 1 . . . . . 104 LYS N . 27646 1 710 . 1 . 1 107 107 ASP H H 1 8.004 0.020 . 1 . . . . . 105 ASP H . 27646 1 711 . 1 . 1 107 107 ASP HA H 1 4.316 0.020 . 1 . . . . . 105 ASP HA . 27646 1 712 . 1 . 1 107 107 ASP C C 13 174.692 0.3 . 1 . . . . . 105 ASP C . 27646 1 713 . 1 . 1 107 107 ASP CA C 13 54.577 0.3 . 1 . . . . . 105 ASP CA . 27646 1 714 . 1 . 1 107 107 ASP CB C 13 39.779 0.3 . 1 . . . . . 105 ASP CB . 27646 1 715 . 1 . 1 107 107 ASP N N 15 120.772 0.3 . 1 . . . . . 105 ASP N . 27646 1 716 . 1 . 1 108 108 SER H H 1 7.571 0.020 . 1 . . . . . 106 SER H . 27646 1 717 . 1 . 1 108 108 SER HA H 1 4.507 0.020 . 1 . . . . . 106 SER HA . 27646 1 718 . 1 . 1 108 108 SER C C 13 173.303 0.3 . 1 . . . . . 106 SER C . 27646 1 719 . 1 . 1 108 108 SER CA C 13 57.104 0.3 . 1 . . . . . 106 SER CA . 27646 1 720 . 1 . 1 108 108 SER CB C 13 64.975 0.3 . 1 . . . . . 106 SER CB . 27646 1 721 . 1 . 1 108 108 SER N N 15 109.200 0.3 . 1 . . . . . 106 SER N . 27646 1 722 . 1 . 1 109 109 GLU H H 1 8.416 0.020 . 1 . . . . . 107 GLU H . 27646 1 723 . 1 . 1 109 109 GLU HA H 1 4.243 0.020 . 1 . . . . . 107 GLU HA . 27646 1 724 . 1 . 1 109 109 GLU C C 13 176.153 0.3 . 1 . . . . . 107 GLU C . 27646 1 725 . 1 . 1 109 109 GLU CA C 13 56.331 0.3 . 1 . . . . . 107 GLU CA . 27646 1 726 . 1 . 1 109 109 GLU CB C 13 30.383 0.3 . 1 . . . . . 107 GLU CB . 27646 1 727 . 1 . 1 109 109 GLU CG C 13 36.331 0.3 . 1 . . . . . 107 GLU CG . 27646 1 728 . 1 . 1 109 109 GLU N N 15 121.089 0.3 . 1 . . . . . 107 GLU N . 27646 1 729 . 1 . 1 110 110 ASP H H 1 8.425 0.020 . 1 . . . . . 108 ASP H . 27646 1 730 . 1 . 1 110 110 ASP HA H 1 4.844 0.020 . 1 . . . . . 108 ASP HA . 27646 1 731 . 1 . 1 110 110 ASP C C 13 174.294 0.3 . 1 . . . . . 108 ASP C . 27646 1 732 . 1 . 1 110 110 ASP CA C 13 53.079 0.3 . 1 . . . . . 108 ASP CA . 27646 1 733 . 1 . 1 110 110 ASP CB C 13 40.863 0.3 . 1 . . . . . 108 ASP CB . 27646 1 734 . 1 . 1 110 110 ASP N N 15 121.096 0.3 . 1 . . . . . 108 ASP N . 27646 1 735 . 1 . 1 111 111 VAL H H 1 7.590 0.020 . 1 . . . . . 109 VAL H . 27646 1 736 . 1 . 1 111 111 VAL HA H 1 4.243 0.020 . 1 . . . . . 109 VAL HA . 27646 1 737 . 1 . 1 111 111 VAL C C 13 173.829 0.3 . 1 . . . . . 109 VAL C . 27646 1 738 . 1 . 1 111 111 VAL CA C 13 58.837 0.3 . 1 . . . . . 109 VAL CA . 27646 1 739 . 1 . 1 111 111 VAL CB C 13 34.885 0.3 . 1 . . . . . 109 VAL CB . 27646 1 740 . 1 . 1 111 111 VAL N N 15 121.842 0.3 . 1 . . . . . 109 VAL N . 27646 1 741 . 1 . 1 112 112 PRO C C 13 175.888 0.3 . 1 . . . . . 110 PRO C . 27646 1 742 . 1 . 1 112 112 PRO CA C 13 63.881 0.3 . 1 . . . . . 110 PRO CA . 27646 1 743 . 1 . 1 112 112 PRO CB C 13 31.955 0.3 . 1 . . . . . 110 PRO CB . 27646 1 744 . 1 . 1 113 113 MET H H 1 8.203 0.020 . 1 . . . . . 111 MET H . 27646 1 745 . 1 . 1 113 113 MET HA H 1 5.781 0.020 . 1 . . . . . 111 MET HA . 27646 1 746 . 1 . 1 113 113 MET C C 13 173.834 0.3 . 1 . . . . . 111 MET C . 27646 1 747 . 1 . 1 113 113 MET CA C 13 54.973 0.3 . 1 . . . . . 111 MET CA . 27646 1 748 . 1 . 1 113 113 MET CB C 13 37.838 0.3 . 1 . . . . . 111 MET CB . 27646 1 749 . 1 . 1 113 113 MET CG C 13 32.860 0.3 . 1 . . . . . 111 MET CG . 27646 1 750 . 1 . 1 113 113 MET N N 15 122.890 0.3 . 1 . . . . . 111 MET N . 27646 1 751 . 1 . 1 114 114 VAL H H 1 8.031 0.020 . 1 . . . . . 112 VAL H . 27646 1 752 . 1 . 1 114 114 VAL HA H 1 3.862 0.020 . 1 . . . . . 112 VAL HA . 27646 1 753 . 1 . 1 114 114 VAL C C 13 173.270 0.3 . 1 . . . . . 112 VAL C . 27646 1 754 . 1 . 1 114 114 VAL CA C 13 61.039 0.3 . 1 . . . . . 112 VAL CA . 27646 1 755 . 1 . 1 114 114 VAL CB C 13 37.146 0.3 . 1 . . . . . 112 VAL CB . 27646 1 756 . 1 . 1 114 114 VAL CG1 C 13 22.530 0.3 . 1 . . . . . 112 VAL CG1 . 27646 1 757 . 1 . 1 114 114 VAL CG2 C 13 21.026 0.3 . 1 . . . . . 112 VAL CG2 . 27646 1 758 . 1 . 1 114 114 VAL N N 15 117.987 0.3 . 1 . . . . . 112 VAL N . 27646 1 759 . 1 . 1 115 115 LEU H H 1 8.966 0.020 . 1 . . . . . 113 LEU H . 27646 1 760 . 1 . 1 115 115 LEU HA H 1 5.181 0.020 . 1 . . . . . 113 LEU HA . 27646 1 761 . 1 . 1 115 115 LEU C C 13 173.629 0.3 . 1 . . . . . 113 LEU C . 27646 1 762 . 1 . 1 115 115 LEU CA C 13 53.815 0.3 . 1 . . . . . 113 LEU CA . 27646 1 763 . 1 . 1 115 115 LEU CB C 13 43.981 0.3 . 1 . . . . . 113 LEU CB . 27646 1 764 . 1 . 1 115 115 LEU CG C 13 27.675 0.3 . 1 . . . . . 113 LEU CG . 27646 1 765 . 1 . 1 115 115 LEU CD1 C 13 25.414 0.3 . 1 . . . . . 113 LEU CD1 . 27646 1 766 . 1 . 1 115 115 LEU CD2 C 13 25.414 0.3 . 1 . . . . . 113 LEU CD2 . 27646 1 767 . 1 . 1 115 115 LEU N N 15 128.839 0.3 . 1 . . . . . 113 LEU N . 27646 1 768 . 1 . 1 116 116 VAL H H 1 9.237 0.020 . 1 . . . . . 114 VAL H . 27646 1 769 . 1 . 1 116 116 VAL HA H 1 5.063 0.020 . 1 . . . . . 114 VAL HA . 27646 1 770 . 1 . 1 116 116 VAL C C 13 173.876 0.3 . 1 . . . . . 114 VAL C . 27646 1 771 . 1 . 1 116 116 VAL CA C 13 60.117 0.3 . 1 . . . . . 114 VAL CA . 27646 1 772 . 1 . 1 116 116 VAL CB C 13 34.985 0.3 . 1 . . . . . 114 VAL CB . 27646 1 773 . 1 . 1 116 116 VAL CG1 C 13 23.254 0.3 . 1 . . . . . 114 VAL CG1 . 27646 1 774 . 1 . 1 116 116 VAL CG2 C 13 23.102 0.3 . 1 . . . . . 114 VAL CG2 . 27646 1 775 . 1 . 1 116 116 VAL N N 15 128.167 0.3 . 1 . . . . . 114 VAL N . 27646 1 776 . 1 . 1 117 117 GLY H H 1 8.236 0.020 . 1 . . . . . 115 GLY H . 27646 1 777 . 1 . 1 117 117 GLY C C 13 171.101 0.3 . 1 . . . . . 115 GLY C . 27646 1 778 . 1 . 1 117 117 GLY CA C 13 45.589 0.3 . 1 . . . . . 115 GLY CA . 27646 1 779 . 1 . 1 117 117 GLY N N 15 113.446 0.3 . 1 . . . . . 115 GLY N . 27646 1 780 . 1 . 1 118 118 ASN H H 1 8.831 0.020 . 1 . . . . . 116 ASN H . 27646 1 781 . 1 . 1 118 118 ASN HA H 1 5.605 0.020 . 1 . . . . . 116 ASN HA . 27646 1 782 . 1 . 1 118 118 ASN C C 13 174.643 0.3 . 1 . . . . . 116 ASN C . 27646 1 783 . 1 . 1 118 118 ASN CA C 13 51.631 0.3 . 1 . . . . . 116 ASN CA . 27646 1 784 . 1 . 1 118 118 ASN CB C 13 41.152 0.3 . 1 . . . . . 116 ASN CB . 27646 1 785 . 1 . 1 118 118 ASN N N 15 121.463 0.3 . 1 . . . . . 116 ASN N . 27646 1 786 . 1 . 1 119 119 LYS H H 1 7.336 0.020 . 1 . . . . . 117 LYS H . 27646 1 787 . 1 . 1 119 119 LYS HA H 1 4.258 0.020 . 1 . . . . . 117 LYS HA . 27646 1 788 . 1 . 1 119 119 LYS C C 13 177.337 0.3 . 1 . . . . . 117 LYS C . 27646 1 789 . 1 . 1 119 119 LYS CA C 13 57.355 0.3 . 1 . . . . . 117 LYS CA . 27646 1 790 . 1 . 1 119 119 LYS CB C 13 29.664 0.3 . 1 . . . . . 117 LYS CB . 27646 1 791 . 1 . 1 119 119 LYS CG C 13 25.833 0.3 . 1 . . . . . 117 LYS CG . 27646 1 792 . 1 . 1 119 119 LYS N N 15 112.072 0.3 . 1 . . . . . 117 LYS N . 27646 1 793 . 1 . 1 120 120 CYS H H 1 8.708 0.020 . 1 . . . . . 118 CYS H . 27646 1 794 . 1 . 1 120 120 CYS HA H 1 4.258 0.020 . 1 . . . . . 118 CYS HA . 27646 1 795 . 1 . 1 120 120 CYS C C 13 173.294 0.3 . 1 . . . . . 118 CYS C . 27646 1 796 . 1 . 1 120 120 CYS CA C 13 61.068 0.3 . 1 . . . . . 118 CYS CA . 27646 1 797 . 1 . 1 120 120 CYS CB C 13 26.457 0.3 . 1 . . . . . 118 CYS CB . 27646 1 798 . 1 . 1 120 120 CYS N N 15 114.116 0.3 . 1 . . . . . 118 CYS N . 27646 1 799 . 1 . 1 121 121 ASP H H 1 8.623 0.020 . 1 . . . . . 119 ASP H . 27646 1 800 . 1 . 1 121 121 ASP HA H 1 4.477 0.020 . 1 . . . . . 119 ASP HA . 27646 1 801 . 1 . 1 121 121 ASP C C 13 175.678 0.3 . 1 . . . . . 119 ASP C . 27646 1 802 . 1 . 1 121 121 ASP CA C 13 53.984 0.3 . 1 . . . . . 119 ASP CA . 27646 1 803 . 1 . 1 121 121 ASP CB C 13 41.346 0.3 . 1 . . . . . 119 ASP CB . 27646 1 804 . 1 . 1 121 121 ASP N N 15 116.956 0.3 . 1 . . . . . 119 ASP N . 27646 1 805 . 1 . 1 122 122 LEU H H 1 7.823 0.020 . 1 . . . . . 120 LEU H . 27646 1 806 . 1 . 1 122 122 LEU HA H 1 4.492 0.020 . 1 . . . . . 120 LEU HA . 27646 1 807 . 1 . 1 122 122 LEU C C 13 176.274 0.3 . 1 . . . . . 120 LEU C . 27646 1 808 . 1 . 1 122 122 LEU CA C 13 53.071 0.3 . 1 . . . . . 120 LEU CA . 27646 1 809 . 1 . 1 122 122 LEU CB C 13 41.651 0.3 . 1 . . . . . 120 LEU CB . 27646 1 810 . 1 . 1 122 122 LEU N N 15 121.577 0.3 . 1 . . . . . 120 LEU N . 27646 1 811 . 1 . 1 123 123 PRO C C 13 177.032 0.3 . 1 . . . . . 121 PRO C . 27646 1 812 . 1 . 1 123 123 PRO CA C 13 63.346 0.3 . 1 . . . . . 121 PRO CA . 27646 1 813 . 1 . 1 123 123 PRO CB C 13 31.564 0.3 . 1 . . . . . 121 PRO CB . 27646 1 814 . 1 . 1 123 123 PRO CG C 13 26.860 0.3 . 1 . . . . . 121 PRO CG . 27646 1 815 . 1 . 1 123 123 PRO CD C 13 50.778 0.3 . 1 . . . . . 121 PRO CD . 27646 1 816 . 1 . 1 124 124 SER H H 1 7.283 0.020 . 1 . . . . . 122 SER H . 27646 1 817 . 1 . 1 124 124 SER HA H 1 4.536 0.020 . 1 . . . . . 122 SER HA . 27646 1 818 . 1 . 1 124 124 SER C C 13 172.670 0.3 . 1 . . . . . 122 SER C . 27646 1 819 . 1 . 1 124 124 SER CA C 13 56.425 0.3 . 1 . . . . . 122 SER CA . 27646 1 820 . 1 . 1 124 124 SER CB C 13 62.501 0.3 . 1 . . . . . 122 SER CB . 27646 1 821 . 1 . 1 124 124 SER N N 15 113.203 0.3 . 1 . . . . . 122 SER N . 27646 1 822 . 1 . 1 125 125 ARG H H 1 7.887 0.020 . 1 . . . . . 123 ARG H . 27646 1 823 . 1 . 1 125 125 ARG HA H 1 4.111 0.020 . 1 . . . . . 123 ARG HA . 27646 1 824 . 1 . 1 125 125 ARG C C 13 175.979 0.3 . 1 . . . . . 123 ARG C . 27646 1 825 . 1 . 1 125 125 ARG CA C 13 55.869 0.3 . 1 . . . . . 123 ARG CA . 27646 1 826 . 1 . 1 125 125 ARG CB C 13 32.497 0.3 . 1 . . . . . 123 ARG CB . 27646 1 827 . 1 . 1 125 125 ARG CG C 13 26.419 0.3 . 1 . . . . . 123 ARG CG . 27646 1 828 . 1 . 1 125 125 ARG CD C 13 44.081 0.3 . 1 . . . . . 123 ARG CD . 27646 1 829 . 1 . 1 125 125 ARG N N 15 120.123 0.3 . 1 . . . . . 123 ARG N . 27646 1 830 . 1 . 1 126 126 THR H H 1 9.054 0.020 . 1 . . . . . 124 THR H . 27646 1 831 . 1 . 1 126 126 THR HA H 1 4.521 0.020 . 1 . . . . . 124 THR HA . 27646 1 832 . 1 . 1 126 126 THR C C 13 174.410 0.3 . 1 . . . . . 124 THR C . 27646 1 833 . 1 . 1 126 126 THR CA C 13 61.718 0.3 . 1 . . . . . 124 THR CA . 27646 1 834 . 1 . 1 126 126 THR CB C 13 69.062 0.3 . 1 . . . . . 124 THR CB . 27646 1 835 . 1 . 1 126 126 THR CG2 C 13 22.363 0.3 . 1 . . . . . 124 THR CG2 . 27646 1 836 . 1 . 1 126 126 THR N N 15 114.179 0.3 . 1 . . . . . 124 THR N . 27646 1 837 . 1 . 1 127 127 VAL H H 1 7.583 0.020 . 1 . . . . . 125 VAL H . 27646 1 838 . 1 . 1 127 127 VAL HA H 1 3.965 0.020 . 1 . . . . . 125 VAL HA . 27646 1 839 . 1 . 1 127 127 VAL C C 13 175.202 0.3 . 1 . . . . . 125 VAL C . 27646 1 840 . 1 . 1 127 127 VAL CA C 13 61.403 0.3 . 1 . . . . . 125 VAL CA . 27646 1 841 . 1 . 1 127 127 VAL CB C 13 32.922 0.3 . 1 . . . . . 125 VAL CB . 27646 1 842 . 1 . 1 127 127 VAL CG1 C 13 19.722 0.3 . 1 . . . . . 125 VAL CG1 . 27646 1 843 . 1 . 1 127 127 VAL CG2 C 13 19.722 0.3 . 1 . . . . . 125 VAL CG2 . 27646 1 844 . 1 . 1 127 127 VAL N N 15 124.247 0.3 . 1 . . . . . 125 VAL N . 27646 1 845 . 1 . 1 128 128 ASP H H 1 8.611 0.020 . 1 . . . . . 126 ASP H . 27646 1 846 . 1 . 1 128 128 ASP HA H 1 4.507 0.020 . 1 . . . . . 126 ASP HA . 27646 1 847 . 1 . 1 128 128 ASP C C 13 176.607 0.3 . 1 . . . . . 126 ASP C . 27646 1 848 . 1 . 1 128 128 ASP CA C 13 54.188 0.3 . 1 . . . . . 126 ASP CA . 27646 1 849 . 1 . 1 128 128 ASP CB C 13 42.013 0.3 . 1 . . . . . 126 ASP CB . 27646 1 850 . 1 . 1 128 128 ASP N N 15 128.390 0.3 . 1 . . . . . 126 ASP N . 27646 1 851 . 1 . 1 129 129 THR H H 1 8.748 0.020 . 1 . . . . . 127 THR H . 27646 1 852 . 1 . 1 129 129 THR HA H 1 5.122 0.020 . 1 . . . . . 127 THR HA . 27646 1 853 . 1 . 1 129 129 THR C C 13 175.714 0.3 . 1 . . . . . 127 THR C . 27646 1 854 . 1 . 1 129 129 THR CA C 13 67.324 0.3 . 1 . . . . . 127 THR CA . 27646 1 855 . 1 . 1 129 129 THR CB C 13 69.018 0.3 . 1 . . . . . 127 THR CB . 27646 1 856 . 1 . 1 129 129 THR CG2 C 13 22.113 0.3 . 1 . . . . . 127 THR CG2 . 27646 1 857 . 1 . 1 129 129 THR N N 15 121.349 0.3 . 1 . . . . . 127 THR N . 27646 1 858 . 1 . 1 130 130 LYS H H 1 8.404 0.020 . 1 . . . . . 128 LYS H . 27646 1 859 . 1 . 1 130 130 LYS HA H 1 4.023 0.020 . 1 . . . . . 128 LYS HA . 27646 1 860 . 1 . 1 130 130 LYS C C 13 178.292 0.3 . 1 . . . . . 128 LYS C . 27646 1 861 . 1 . 1 130 130 LYS CA C 13 59.463 0.3 . 1 . . . . . 128 LYS CA . 27646 1 862 . 1 . 1 130 130 LYS CB C 13 31.964 0.3 . 1 . . . . . 128 LYS CB . 27646 1 863 . 1 . 1 130 130 LYS CG C 13 24.996 0.3 . 1 . . . . . 128 LYS CG . 27646 1 864 . 1 . 1 130 130 LYS CD C 13 28.512 0.3 . 1 . . . . . 128 LYS CD . 27646 1 865 . 1 . 1 130 130 LYS CE C 13 42.323 0.3 . 1 . . . . . 128 LYS CE . 27646 1 866 . 1 . 1 130 130 LYS N N 15 120.344 0.3 . 1 . . . . . 128 LYS N . 27646 1 867 . 1 . 1 131 131 GLN H H 1 7.359 0.020 . 1 . . . . . 129 GLN H . 27646 1 868 . 1 . 1 131 131 GLN HA H 1 4.052 0.020 . 1 . . . . . 129 GLN HA . 27646 1 869 . 1 . 1 131 131 GLN C C 13 179.358 0.3 . 1 . . . . . 129 GLN C . 27646 1 870 . 1 . 1 131 131 GLN CA C 13 58.586 0.3 . 1 . . . . . 129 GLN CA . 27646 1 871 . 1 . 1 131 131 GLN CB C 13 28.699 0.3 . 1 . . . . . 129 GLN CB . 27646 1 872 . 1 . 1 131 131 GLN CG C 13 34.561 0.3 . 1 . . . . . 129 GLN CG . 27646 1 873 . 1 . 1 131 131 GLN N N 15 117.531 0.3 . 1 . . . . . 129 GLN N . 27646 1 874 . 1 . 1 132 132 ALA H H 1 7.125 0.020 . 1 . . . . . 130 ALA H . 27646 1 875 . 1 . 1 132 132 ALA HA H 1 3.906 0.020 . 1 . . . . . 130 ALA HA . 27646 1 876 . 1 . 1 132 132 ALA C C 13 178.049 0.3 . 1 . . . . . 130 ALA C . 27646 1 877 . 1 . 1 132 132 ALA CA C 13 54.875 0.3 . 1 . . . . . 130 ALA CA . 27646 1 878 . 1 . 1 132 132 ALA CB C 13 18.592 0.3 . 1 . . . . . 130 ALA CB . 27646 1 879 . 1 . 1 132 132 ALA N N 15 122.434 0.3 . 1 . . . . . 130 ALA N . 27646 1 880 . 1 . 1 133 133 GLN H H 1 8.456 0.020 . 1 . . . . . 131 GLN H . 27646 1 881 . 1 . 1 133 133 GLN HA H 1 3.730 0.020 . 1 . . . . . 131 GLN HA . 27646 1 882 . 1 . 1 133 133 GLN C C 13 179.499 0.3 . 1 . . . . . 131 GLN C . 27646 1 883 . 1 . 1 133 133 GLN CA C 13 58.960 0.3 . 1 . . . . . 131 GLN CA . 27646 1 884 . 1 . 1 133 133 GLN CB C 13 28.449 0.3 . 1 . . . . . 131 GLN CB . 27646 1 885 . 1 . 1 133 133 GLN CG C 13 34.644 0.3 . 1 . . . . . 131 GLN CG . 27646 1 886 . 1 . 1 133 133 GLN N N 15 117.806 0.3 . 1 . . . . . 131 GLN N . 27646 1 887 . 1 . 1 134 134 ASP H H 1 8.545 0.020 . 1 . . . . . 132 ASP H . 27646 1 888 . 1 . 1 134 134 ASP HA H 1 4.316 0.020 . 1 . . . . . 132 ASP HA . 27646 1 889 . 1 . 1 134 134 ASP C C 13 178.957 0.3 . 1 . . . . . 132 ASP C . 27646 1 890 . 1 . 1 134 134 ASP CA C 13 57.239 0.3 . 1 . . . . . 132 ASP CA . 27646 1 891 . 1 . 1 134 134 ASP CB C 13 39.625 0.3 . 1 . . . . . 132 ASP CB . 27646 1 892 . 1 . 1 134 134 ASP N N 15 120.392 0.3 . 1 . . . . . 132 ASP N . 27646 1 893 . 1 . 1 135 135 LEU H H 1 7.541 0.020 . 1 . . . . . 133 LEU H . 27646 1 894 . 1 . 1 135 135 LEU HA H 1 3.862 0.020 . 1 . . . . . 133 LEU HA . 27646 1 895 . 1 . 1 135 135 LEU C C 13 179.006 0.3 . 1 . . . . . 133 LEU C . 27646 1 896 . 1 . 1 135 135 LEU CA C 13 57.776 0.3 . 1 . . . . . 133 LEU CA . 27646 1 897 . 1 . 1 135 135 LEU CB C 13 41.598 0.3 . 1 . . . . . 133 LEU CB . 27646 1 898 . 1 . 1 135 135 LEU CG C 13 26.139 0.3 . 1 . . . . . 133 LEU CG . 27646 1 899 . 1 . 1 135 135 LEU CD1 C 13 22.652 0.3 . 1 . . . . . 133 LEU CD1 . 27646 1 900 . 1 . 1 135 135 LEU CD2 C 13 22.652 0.3 . 1 . . . . . 133 LEU CD2 . 27646 1 901 . 1 . 1 135 135 LEU N N 15 123.556 0.3 . 1 . . . . . 133 LEU N . 27646 1 902 . 1 . 1 136 136 ALA H H 1 8.272 0.020 . 1 . . . . . 134 ALA H . 27646 1 903 . 1 . 1 136 136 ALA C C 13 179.881 0.3 . 1 . . . . . 134 ALA C . 27646 1 904 . 1 . 1 136 136 ALA CA C 13 55.844 0.3 . 1 . . . . . 134 ALA CA . 27646 1 905 . 1 . 1 136 136 ALA CB C 13 18.186 0.3 . 1 . . . . . 134 ALA CB . 27646 1 906 . 1 . 1 136 136 ALA N N 15 121.600 0.3 . 1 . . . . . 134 ALA N . 27646 1 907 . 1 . 1 137 137 ARG H H 1 8.501 0.020 . 1 . . . . . 135 ARG H . 27646 1 908 . 1 . 1 137 137 ARG C C 13 180.005 0.3 . 1 . . . . . 135 ARG C . 27646 1 909 . 1 . 1 137 137 ARG CA C 13 59.409 0.3 . 1 . . . . . 135 ARG CA . 27646 1 910 . 1 . 1 137 137 ARG CB C 13 29.678 0.3 . 1 . . . . . 135 ARG CB . 27646 1 911 . 1 . 1 137 137 ARG N N 15 118.238 0.3 . 1 . . . . . 135 ARG N . 27646 1 912 . 1 . 1 138 138 SER H H 1 7.960 0.020 . 1 . . . . . 136 SER H . 27646 1 913 . 1 . 1 138 138 SER C C 13 176.162 0.3 . 1 . . . . . 136 SER C . 27646 1 914 . 1 . 1 138 138 SER CA C 13 61.522 0.3 . 1 . . . . . 136 SER CA . 27646 1 915 . 1 . 1 138 138 SER CB C 13 62.366 0.3 . 1 . . . . . 136 SER CB . 27646 1 916 . 1 . 1 138 138 SER N N 15 117.652 0.3 . 1 . . . . . 136 SER N . 27646 1 917 . 1 . 1 139 139 TYR H H 1 7.608 0.020 . 1 . . . . . 137 TYR H . 27646 1 918 . 1 . 1 139 139 TYR HA H 1 4.902 0.020 . 1 . . . . . 137 TYR HA . 27646 1 919 . 1 . 1 139 139 TYR C C 13 176.300 0.3 . 1 . . . . . 137 TYR C . 27646 1 920 . 1 . 1 139 139 TYR CA C 13 54.715 0.3 . 1 . . . . . 137 TYR CA . 27646 1 921 . 1 . 1 139 139 TYR CB C 13 38.820 0.3 . 1 . . . . . 137 TYR CB . 27646 1 922 . 1 . 1 139 139 TYR N N 15 119.806 0.3 . 1 . . . . . 137 TYR N . 27646 1 923 . 1 . 1 140 140 GLY H H 1 8.308 0.020 . 1 . . . . . 138 GLY H . 27646 1 924 . 1 . 1 140 140 GLY HA2 H 1 4.082 0.020 . 1 . . . . . 138 GLY HA2 . 27646 1 925 . 1 . 1 140 140 GLY HA3 H 1 4.082 0.020 . 1 . . . . . 138 GLY HA3 . 27646 1 926 . 1 . 1 140 140 GLY C C 13 175.201 0.3 . 1 . . . . . 138 GLY C . 27646 1 927 . 1 . 1 140 140 GLY CA C 13 46.435 0.3 . 1 . . . . . 138 GLY CA . 27646 1 928 . 1 . 1 140 140 GLY N N 15 110.939 0.3 . 1 . . . . . 138 GLY N . 27646 1 929 . 1 . 1 141 141 ILE H H 1 8.055 0.020 . 1 . . . . . 139 ILE H . 27646 1 930 . 1 . 1 141 141 ILE HA H 1 5.225 0.020 . 1 . . . . . 139 ILE HA . 27646 1 931 . 1 . 1 141 141 ILE C C 13 172.952 0.3 . 1 . . . . . 139 ILE C . 27646 1 932 . 1 . 1 141 141 ILE CA C 13 58.430 0.3 . 1 . . . . . 139 ILE CA . 27646 1 933 . 1 . 1 141 141 ILE CB C 13 38.320 0.3 . 1 . . . . . 139 ILE CB . 27646 1 934 . 1 . 1 141 141 ILE N N 15 112.942 0.3 . 1 . . . . . 139 ILE N . 27646 1 935 . 1 . 1 142 142 PRO C C 13 174.633 0.3 . 1 . . . . . 140 PRO C . 27646 1 936 . 1 . 1 142 142 PRO CA C 13 62.319 0.3 . 1 . . . . . 140 PRO CA . 27646 1 937 . 1 . 1 142 142 PRO CB C 13 32.971 0.3 . 1 . . . . . 140 PRO CB . 27646 1 938 . 1 . 1 143 143 PHE H H 1 8.324 0.020 . 1 . . . . . 141 PHE H . 27646 1 939 . 1 . 1 143 143 PHE HA H 1 6.118 0.020 . 1 . . . . . 141 PHE HA . 27646 1 940 . 1 . 1 143 143 PHE C C 13 173.815 0.3 . 1 . . . . . 141 PHE C . 27646 1 941 . 1 . 1 143 143 PHE CA C 13 54.671 0.3 . 1 . . . . . 141 PHE CA . 27646 1 942 . 1 . 1 143 143 PHE CB C 13 42.044 0.3 . 1 . . . . . 141 PHE CB . 27646 1 943 . 1 . 1 143 143 PHE N N 15 120.191 0.3 . 1 . . . . . 141 PHE N . 27646 1 944 . 1 . 1 144 144 ILE H H 1 8.417 0.020 . 1 . . . . . 142 ILE H . 27646 1 945 . 1 . 1 144 144 ILE HA H 1 3.891 0.020 . 1 . . . . . 142 ILE HA . 27646 1 946 . 1 . 1 144 144 ILE C C 13 172.858 0.3 . 1 . . . . . 142 ILE C . 27646 1 947 . 1 . 1 144 144 ILE CA C 13 59.279 0.3 . 1 . . . . . 142 ILE CA . 27646 1 948 . 1 . 1 144 144 ILE CB C 13 42.181 0.3 . 1 . . . . . 142 ILE CB . 27646 1 949 . 1 . 1 144 144 ILE CG1 C 13 28.365 0.3 . 1 . . . . . 142 ILE CG1 . 27646 1 950 . 1 . 1 144 144 ILE CG2 C 13 17.044 0.3 . 1 . . . . . 142 ILE CG2 . 27646 1 951 . 1 . 1 144 144 ILE CD1 C 13 14.198 0.3 . 1 . . . . . 142 ILE CD1 . 27646 1 952 . 1 . 1 144 144 ILE N N 15 129.919 0.3 . 1 . . . . . 142 ILE N . 27646 1 953 . 1 . 1 145 145 GLU H H 1 7.805 0.020 . 1 . . . . . 143 GLU H . 27646 1 954 . 1 . 1 145 145 GLU HA H 1 4.712 0.020 . 1 . . . . . 143 GLU HA . 27646 1 955 . 1 . 1 145 145 GLU C C 13 176.183 0.3 . 1 . . . . . 143 GLU C . 27646 1 956 . 1 . 1 145 145 GLU CA C 13 55.428 0.3 . 1 . . . . . 143 GLU CA . 27646 1 957 . 1 . 1 145 145 GLU CB C 13 30.631 0.3 . 1 . . . . . 143 GLU CB . 27646 1 958 . 1 . 1 145 145 GLU CG C 13 39.226 0.3 . 1 . . . . . 143 GLU CG . 27646 1 959 . 1 . 1 145 145 GLU N N 15 125.115 0.3 . 1 . . . . . 143 GLU N . 27646 1 960 . 1 . 1 146 146 THR H H 1 8.788 0.020 . 1 . . . . . 144 THR H . 27646 1 961 . 1 . 1 146 146 THR HA H 1 5.019 0.020 . 1 . . . . . 144 THR HA . 27646 1 962 . 1 . 1 146 146 THR C C 13 176.197 0.3 . 1 . . . . . 144 THR C . 27646 1 963 . 1 . 1 146 146 THR CA C 13 59.682 0.3 . 1 . . . . . 144 THR CA . 27646 1 964 . 1 . 1 146 146 THR CB C 13 73.743 0.3 . 1 . . . . . 144 THR CB . 27646 1 965 . 1 . 1 146 146 THR CG2 C 13 22.150 0.3 . 1 . . . . . 144 THR CG2 . 27646 1 966 . 1 . 1 146 146 THR N N 15 112.031 0.3 . 1 . . . . . 144 THR N . 27646 1 967 . 1 . 1 147 147 SER H H 1 8.809 0.020 . 1 . . . . . 145 SER H . 27646 1 968 . 1 . 1 147 147 SER HA H 1 4.990 0.020 . 1 . . . . . 145 SER HA . 27646 1 969 . 1 . 1 147 147 SER C C 13 175.700 0.3 . 1 . . . . . 145 SER C . 27646 1 970 . 1 . 1 147 147 SER CA C 13 57.365 0.3 . 1 . . . . . 145 SER CA . 27646 1 971 . 1 . 1 147 147 SER CB C 13 64.349 0.3 . 1 . . . . . 145 SER CB . 27646 1 972 . 1 . 1 147 147 SER N N 15 112.519 0.3 . 1 . . . . . 145 SER N . 27646 1 973 . 1 . 1 148 148 ALA H H 1 9.167 0.020 . 1 . . . . . 146 ALA H . 27646 1 974 . 1 . 1 148 148 ALA HA H 1 3.865 0.020 . 1 . . . . . 146 ALA HA . 27646 1 975 . 1 . 1 148 148 ALA C C 13 175.794 0.3 . 1 . . . . . 146 ALA C . 27646 1 976 . 1 . 1 148 148 ALA CA C 13 54.624 0.3 . 1 . . . . . 146 ALA CA . 27646 1 977 . 1 . 1 148 148 ALA CB C 13 18.439 0.3 . 1 . . . . . 146 ALA CB . 27646 1 978 . 1 . 1 148 148 ALA N N 15 132.437 0.3 . 1 . . . . . 146 ALA N . 27646 1 979 . 1 . 1 149 149 LYS H H 1 7.016 0.020 . 1 . . . . . 147 LYS H . 27646 1 980 . 1 . 1 149 149 LYS C C 13 177.009 0.3 . 1 . . . . . 147 LYS C . 27646 1 981 . 1 . 1 149 149 LYS CA C 13 58.245 0.3 . 1 . . . . . 147 LYS CA . 27646 1 982 . 1 . 1 149 149 LYS CB C 13 33.809 0.3 . 1 . . . . . 147 LYS CB . 27646 1 983 . 1 . 1 149 149 LYS N N 15 116.180 0.3 . 1 . . . . . 147 LYS N . 27646 1 984 . 1 . 1 150 150 THR H H 1 7.712 0.020 . 1 . . . . . 148 THR H . 27646 1 985 . 1 . 1 150 150 THR HA H 1 4.126 0.020 . 1 . . . . . 148 THR HA . 27646 1 986 . 1 . 1 150 150 THR C C 13 175.821 0.3 . 1 . . . . . 148 THR C . 27646 1 987 . 1 . 1 150 150 THR CA C 13 61.311 0.3 . 1 . . . . . 148 THR CA . 27646 1 988 . 1 . 1 150 150 THR CB C 13 69.565 0.3 . 1 . . . . . 148 THR CB . 27646 1 989 . 1 . 1 150 150 THR CG2 C 13 21.145 0.3 . 1 . . . . . 148 THR CG2 . 27646 1 990 . 1 . 1 150 150 THR N N 15 106.414 0.3 . 1 . . . . . 148 THR N . 27646 1 991 . 1 . 1 151 151 ARG H H 1 7.818 0.020 . 1 . . . . . 149 ARG H . 27646 1 992 . 1 . 1 151 151 ARG HA H 1 4.331 0.020 . 1 . . . . . 149 ARG HA . 27646 1 993 . 1 . 1 151 151 ARG C C 13 175.739 0.3 . 1 . . . . . 149 ARG C . 27646 1 994 . 1 . 1 151 151 ARG CA C 13 58.947 0.3 . 1 . . . . . 149 ARG CA . 27646 1 995 . 1 . 1 151 151 ARG CB C 13 30.291 0.3 . 1 . . . . . 149 ARG CB . 27646 1 996 . 1 . 1 151 151 ARG CG C 13 32.868 0.3 . 1 . . . . . 149 ARG CG . 27646 1 997 . 1 . 1 151 151 ARG CD C 13 43.197 0.3 . 1 . . . . . 149 ARG CD . 27646 1 998 . 1 . 1 151 151 ARG N N 15 119.624 0.3 . 1 . . . . . 149 ARG N . 27646 1 999 . 1 . 1 152 152 GLN H H 1 7.819 0.020 . 1 . . . . . 150 GLN H . 27646 1 1000 . 1 . 1 152 152 GLN HA H 1 4.052 0.020 . 1 . . . . . 150 GLN HA . 27646 1 1001 . 1 . 1 152 152 GLN C C 13 177.061 0.3 . 1 . . . . . 150 GLN C . 27646 1 1002 . 1 . 1 152 152 GLN CA C 13 57.308 0.3 . 1 . . . . . 150 GLN CA . 27646 1 1003 . 1 . 1 152 152 GLN CB C 13 28.406 0.3 . 1 . . . . . 150 GLN CB . 27646 1 1004 . 1 . 1 152 152 GLN N N 15 124.249 0.3 . 1 . . . . . 150 GLN N . 27646 1 1005 . 1 . 1 153 153 GLY H H 1 8.932 0.020 . 1 . . . . . 151 GLY H . 27646 1 1006 . 1 . 1 153 153 GLY C C 13 173.488 0.3 . 1 . . . . . 151 GLY C . 27646 1 1007 . 1 . 1 153 153 GLY CA C 13 46.873 0.3 . 1 . . . . . 151 GLY CA . 27646 1 1008 . 1 . 1 153 153 GLY N N 15 115.319 0.3 . 1 . . . . . 151 GLY N . 27646 1 1009 . 1 . 1 154 154 VAL H H 1 7.039 0.020 . 1 . . . . . 152 VAL H . 27646 1 1010 . 1 . 1 154 154 VAL C C 13 176.637 0.3 . 1 . . . . . 152 VAL C . 27646 1 1011 . 1 . 1 154 154 VAL CA C 13 68.263 0.3 . 1 . . . . . 152 VAL CA . 27646 1 1012 . 1 . 1 154 154 VAL CB C 13 31.553 0.3 . 1 . . . . . 152 VAL CB . 27646 1 1013 . 1 . 1 154 154 VAL CG1 C 13 24.201 0.3 . 1 . . . . . 152 VAL CG1 . 27646 1 1014 . 1 . 1 154 154 VAL CG2 C 13 20.609 0.3 . 1 . . . . . 152 VAL CG2 . 27646 1 1015 . 1 . 1 154 154 VAL N N 15 120.574 0.3 . 1 . . . . . 152 VAL N . 27646 1 1016 . 1 . 1 155 155 ASP H H 1 7.949 0.020 . 1 . . . . . 153 ASP H . 27646 1 1017 . 1 . 1 155 155 ASP HA H 1 3.833 0.020 . 1 . . . . . 153 ASP HA . 27646 1 1018 . 1 . 1 155 155 ASP C C 13 177.213 0.3 . 1 . . . . . 153 ASP C . 27646 1 1019 . 1 . 1 155 155 ASP CA C 13 57.424 0.3 . 1 . . . . . 153 ASP CA . 27646 1 1020 . 1 . 1 155 155 ASP CB C 13 39.183 0.3 . 1 . . . . . 153 ASP CB . 27646 1 1021 . 1 . 1 155 155 ASP N N 15 117.092 0.3 . 1 . . . . . 153 ASP N . 27646 1 1022 . 1 . 1 156 156 ASP H H 1 8.051 0.020 . 1 . . . . . 154 ASP H . 27646 1 1023 . 1 . 1 156 156 ASP HA H 1 4.170 0.020 . 1 . . . . . 154 ASP HA . 27646 1 1024 . 1 . 1 156 156 ASP C C 13 179.400 0.3 . 1 . . . . . 154 ASP C . 27646 1 1025 . 1 . 1 156 156 ASP CA C 13 57.246 0.3 . 1 . . . . . 154 ASP CA . 27646 1 1026 . 1 . 1 156 156 ASP CB C 13 39.993 0.3 . 1 . . . . . 154 ASP CB . 27646 1 1027 . 1 . 1 156 156 ASP N N 15 116.305 0.3 . 1 . . . . . 154 ASP N . 27646 1 1028 . 1 . 1 157 157 ALA H H 1 8.631 0.020 . 1 . . . . . 155 ALA H . 27646 1 1029 . 1 . 1 157 157 ALA HA H 1 3.715 0.020 . 1 . . . . . 155 ALA HA . 27646 1 1030 . 1 . 1 157 157 ALA C C 13 177.815 0.3 . 1 . . . . . 155 ALA C . 27646 1 1031 . 1 . 1 157 157 ALA CA C 13 56.341 0.3 . 1 . . . . . 155 ALA CA . 27646 1 1032 . 1 . 1 157 157 ALA CB C 13 17.156 0.3 . 1 . . . . . 155 ALA CB . 27646 1 1033 . 1 . 1 157 157 ALA N N 15 124.840 0.3 . 1 . . . . . 155 ALA N . 27646 1 1034 . 1 . 1 158 158 PHE H H 1 7.221 0.020 . 1 . . . . . 156 PHE H . 27646 1 1035 . 1 . 1 158 158 PHE HA H 1 3.891 0.020 . 1 . . . . . 156 PHE HA . 27646 1 1036 . 1 . 1 158 158 PHE C C 13 178.123 0.3 . 1 . . . . . 156 PHE C . 27646 1 1037 . 1 . 1 158 158 PHE CA C 13 62.908 0.3 . 1 . . . . . 156 PHE CA . 27646 1 1038 . 1 . 1 158 158 PHE CB C 13 39.417 0.3 . 1 . . . . . 156 PHE CB . 27646 1 1039 . 1 . 1 158 158 PHE N N 15 112.910 0.3 . 1 . . . . . 156 PHE N . 27646 1 1040 . 1 . 1 159 159 TYR H H 1 9.610 0.020 . 1 . . . . . 157 TYR H . 27646 1 1041 . 1 . 1 159 159 TYR HA H 1 4.287 0.020 . 1 . . . . . 157 TYR HA . 27646 1 1042 . 1 . 1 159 159 TYR C C 13 179.052 0.3 . 1 . . . . . 157 TYR C . 27646 1 1043 . 1 . 1 159 159 TYR CA C 13 58.611 0.3 . 1 . . . . . 157 TYR CA . 27646 1 1044 . 1 . 1 159 159 TYR CB C 13 35.258 0.3 . 1 . . . . . 157 TYR CB . 27646 1 1045 . 1 . 1 159 159 TYR N N 15 119.582 0.3 . 1 . . . . . 157 TYR N . 27646 1 1046 . 1 . 1 160 160 THR H H 1 8.619 0.020 . 1 . . . . . 158 THR H . 27646 1 1047 . 1 . 1 160 160 THR HA H 1 4.477 0.020 . 1 . . . . . 158 THR HA . 27646 1 1048 . 1 . 1 160 160 THR C C 13 175.729 0.3 . 1 . . . . . 158 THR C . 27646 1 1049 . 1 . 1 160 160 THR CA C 13 67.552 0.3 . 1 . . . . . 158 THR CA . 27646 1 1050 . 1 . 1 160 160 THR CB C 13 67.719 0.3 . 1 . . . . . 158 THR CB . 27646 1 1051 . 1 . 1 160 160 THR CG2 C 13 21.194 0.3 . 1 . . . . . 158 THR CG2 . 27646 1 1052 . 1 . 1 160 160 THR N N 15 116.486 0.3 . 1 . . . . . 158 THR N . 27646 1 1053 . 1 . 1 161 161 LEU H H 1 7.287 0.020 . 1 . . . . . 159 LEU H . 27646 1 1054 . 1 . 1 161 161 LEU HA H 1 3.877 0.020 . 1 . . . . . 159 LEU HA . 27646 1 1055 . 1 . 1 161 161 LEU C C 13 177.662 0.3 . 1 . . . . . 159 LEU C . 27646 1 1056 . 1 . 1 161 161 LEU CA C 13 58.012 0.3 . 1 . . . . . 159 LEU CA . 27646 1 1057 . 1 . 1 161 161 LEU CB C 13 40.284 0.3 . 1 . . . . . 159 LEU CB . 27646 1 1058 . 1 . 1 161 161 LEU N N 15 121.843 0.3 . 1 . . . . . 159 LEU N . 27646 1 1059 . 1 . 1 162 162 VAL H H 1 7.673 0.020 . 1 . . . . . 160 VAL H . 27646 1 1060 . 1 . 1 162 162 VAL HA H 1 4.389 0.020 . 1 . . . . . 160 VAL HA . 27646 1 1061 . 1 . 1 162 162 VAL C C 13 177.564 0.3 . 1 . . . . . 160 VAL C . 27646 1 1062 . 1 . 1 162 162 VAL CA C 13 67.512 0.3 . 1 . . . . . 160 VAL CA . 27646 1 1063 . 1 . 1 162 162 VAL CB C 13 30.204 0.3 . 1 . . . . . 160 VAL CB . 27646 1 1064 . 1 . 1 162 162 VAL CG1 C 13 23.740 0.3 . 1 . . . . . 160 VAL CG1 . 27646 1 1065 . 1 . 1 162 162 VAL CG2 C 13 19.806 0.3 . 1 . . . . . 160 VAL CG2 . 27646 1 1066 . 1 . 1 162 162 VAL N N 15 119.159 0.3 . 1 . . . . . 160 VAL N . 27646 1 1067 . 1 . 1 163 163 ARG H H 1 8.210 0.020 . 1 . . . . . 161 ARG H . 27646 1 1068 . 1 . 1 163 163 ARG C C 13 179.683 0.3 . 1 . . . . . 161 ARG C . 27646 1 1069 . 1 . 1 163 163 ARG CA C 13 60.872 0.3 . 1 . . . . . 161 ARG CA . 27646 1 1070 . 1 . 1 163 163 ARG CB C 13 29.377 0.3 . 1 . . . . . 161 ARG CB . 27646 1 1071 . 1 . 1 163 163 ARG CG C 13 36.495 0.3 . 1 . . . . . 161 ARG CG . 27646 1 1072 . 1 . 1 163 163 ARG CD C 13 44.083 0.3 . 1 . . . . . 161 ARG CD . 27646 1 1073 . 1 . 1 163 163 ARG N N 15 119.019 0.3 . 1 . . . . . 161 ARG N . 27646 1 1074 . 1 . 1 164 164 GLU H H 1 8.329 0.020 . 1 . . . . . 162 GLU H . 27646 1 1075 . 1 . 1 164 164 GLU HA H 1 4.096 0.020 . 1 . . . . . 162 GLU HA . 27646 1 1076 . 1 . 1 164 164 GLU C C 13 179.613 0.3 . 1 . . . . . 162 GLU C . 27646 1 1077 . 1 . 1 164 164 GLU CA C 13 58.954 0.3 . 1 . . . . . 162 GLU CA . 27646 1 1078 . 1 . 1 164 164 GLU CB C 13 30.195 0.3 . 1 . . . . . 162 GLU CB . 27646 1 1079 . 1 . 1 164 164 GLU CG C 13 36.983 0.3 . 1 . . . . . 162 GLU CG . 27646 1 1080 . 1 . 1 164 164 GLU N N 15 119.585 0.3 . 1 . . . . . 162 GLU N . 27646 1 1081 . 1 . 1 165 165 ILE H H 1 8.360 0.020 . 1 . . . . . 163 ILE H . 27646 1 1082 . 1 . 1 165 165 ILE C C 13 178.630 0.3 . 1 . . . . . 163 ILE C . 27646 1 1083 . 1 . 1 165 165 ILE CA C 13 66.204 0.3 . 1 . . . . . 163 ILE CA . 27646 1 1084 . 1 . 1 165 165 ILE CB C 13 37.735 0.3 . 1 . . . . . 163 ILE CB . 27646 1 1085 . 1 . 1 165 165 ILE CG1 C 13 28.679 0.3 . 1 . . . . . 163 ILE CG1 . 27646 1 1086 . 1 . 1 165 165 ILE CG2 C 13 18.048 0.3 . 1 . . . . . 163 ILE CG2 . 27646 1 1087 . 1 . 1 165 165 ILE N N 15 123.067 0.3 . 1 . . . . . 163 ILE N . 27646 1 1088 . 1 . 1 166 166 ARG H H 1 8.596 0.020 . 1 . . . . . 164 ARG H . 27646 1 1089 . 1 . 1 166 166 ARG HA H 1 4.463 0.020 . 1 . . . . . 164 ARG HA . 27646 1 1090 . 1 . 1 166 166 ARG C C 13 179.007 0.3 . 1 . . . . . 164 ARG C . 27646 1 1091 . 1 . 1 166 166 ARG CA C 13 60.160 0.3 . 1 . . . . . 164 ARG CA . 27646 1 1092 . 1 . 1 166 166 ARG CB C 13 30.589 0.3 . 1 . . . . . 164 ARG CB . 27646 1 1093 . 1 . 1 166 166 ARG CG C 13 27.280 0.3 . 1 . . . . . 164 ARG CG . 27646 1 1094 . 1 . 1 166 166 ARG CD C 13 44.070 0.3 . 1 . . . . . 164 ARG CD . 27646 1 1095 . 1 . 1 166 166 ARG N N 15 119.335 0.3 . 1 . . . . . 164 ARG N . 27646 1 1096 . 1 . 1 167 167 LYS H H 1 7.800 0.020 . 1 . . . . . 165 LYS H . 27646 1 1097 . 1 . 1 167 167 LYS HA H 1 4.082 0.020 . 1 . . . . . 165 LYS HA . 27646 1 1098 . 1 . 1 167 167 LYS C C 13 178.468 0.3 . 1 . . . . . 165 LYS C . 27646 1 1099 . 1 . 1 167 167 LYS CA C 13 58.954 0.3 . 1 . . . . . 165 LYS CA . 27646 1 1100 . 1 . 1 167 167 LYS CB C 13 32.489 0.3 . 1 . . . . . 165 LYS CB . 27646 1 1101 . 1 . 1 167 167 LYS CG C 13 24.996 0.3 . 1 . . . . . 165 LYS CG . 27646 1 1102 . 1 . 1 167 167 LYS CD C 13 29.432 0.3 . 1 . . . . . 165 LYS CD . 27646 1 1103 . 1 . 1 167 167 LYS CE C 13 40.984 0.3 . 1 . . . . . 165 LYS CE . 27646 1 1104 . 1 . 1 167 167 LYS N N 15 117.206 0.3 . 1 . . . . . 165 LYS N . 27646 1 1105 . 1 . 1 168 168 HIS H H 1 7.835 0.020 . 1 . . . . . 166 HIS H . 27646 1 1106 . 1 . 1 168 168 HIS HA H 1 4.404 0.020 . 1 . . . . . 166 HIS HA . 27646 1 1107 . 1 . 1 168 168 HIS C C 13 176.329 0.3 . 1 . . . . . 166 HIS C . 27646 1 1108 . 1 . 1 168 168 HIS CA C 13 58.356 0.3 . 1 . . . . . 166 HIS CA . 27646 1 1109 . 1 . 1 168 168 HIS CB C 13 30.019 0.3 . 1 . . . . . 166 HIS CB . 27646 1 1110 . 1 . 1 168 168 HIS N N 15 117.923 0.3 . 1 . . . . . 166 HIS N . 27646 1 1111 . 1 . 1 169 169 LYS H H 1 8.031 0.020 . 1 . . . . . 167 LYS H . 27646 1 1112 . 1 . 1 169 169 LYS HA H 1 4.258 0.020 . 1 . . . . . 167 LYS HA . 27646 1 1113 . 1 . 1 169 169 LYS C C 13 177.091 0.3 . 1 . . . . . 167 LYS C . 27646 1 1114 . 1 . 1 169 169 LYS CA C 13 57.537 0.3 . 1 . . . . . 167 LYS CA . 27646 1 1115 . 1 . 1 169 169 LYS CB C 13 33.113 0.3 . 1 . . . . . 167 LYS CB . 27646 1 1116 . 1 . 1 169 169 LYS CG C 13 25.287 0.3 . 1 . . . . . 167 LYS CG . 27646 1 1117 . 1 . 1 169 169 LYS CD C 13 29.464 0.3 . 1 . . . . . 167 LYS CD . 27646 1 1118 . 1 . 1 169 169 LYS CE C 13 41.996 0.3 . 1 . . . . . 167 LYS CE . 27646 1 1119 . 1 . 1 169 169 LYS N N 15 118.903 0.3 . 1 . . . . . 167 LYS N . 27646 1 1120 . 1 . 1 170 170 GLU H H 1 7.857 0.020 . 1 . . . . . 168 GLU H . 27646 1 1121 . 1 . 1 170 170 GLU HA H 1 4.331 0.020 . 1 . . . . . 168 GLU HA . 27646 1 1122 . 1 . 1 170 170 GLU C C 13 175.669 0.3 . 1 . . . . . 168 GLU C . 27646 1 1123 . 1 . 1 170 170 GLU CA C 13 56.583 0.3 . 1 . . . . . 168 GLU CA . 27646 1 1124 . 1 . 1 170 170 GLU CB C 13 29.986 0.3 . 1 . . . . . 168 GLU CB . 27646 1 1125 . 1 . 1 170 170 GLU N N 15 119.674 0.3 . 1 . . . . . 168 GLU N . 27646 1 1126 . 1 . 1 171 171 LYS H H 1 7.614 0.020 . 1 . . . . . 169 LYS H . 27646 1 1127 . 1 . 1 171 171 LYS HA H 1 4.096 0.020 . 1 . . . . . 169 LYS HA . 27646 1 1128 . 1 . 1 171 171 LYS C C 13 181.463 0.3 . 1 . . . . . 169 LYS C . 27646 1 1129 . 1 . 1 171 171 LYS CA C 13 58.113 0.3 . 1 . . . . . 169 LYS CA . 27646 1 1130 . 1 . 1 171 171 LYS CB C 13 33.416 0.3 . 1 . . . . . 169 LYS CB . 27646 1 1131 . 1 . 1 171 171 LYS N N 15 126.528 0.3 . 1 . . . . . 169 LYS N . 27646 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 27646 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 '2D 1H-15N HSQC' 2 $sample_2 . 27646 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $TOPSPIN . . 27646 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.5184 . . . . . . . . . . . 27646 1 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6922 . . . . . . . . . . . 27646 1 3 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.7823 . . . . . . . . . . . 27646 1 4 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.7645 . . . . . . . . . . . 27646 1 5 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.7990 . . . . . . . . . . . 27646 1 6 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.8578 . . . . . . . . . . . 27646 1 7 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.8090 . . . . . . . . . . . 27646 1 8 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.7830 . . . . . . . . . . . 27646 1 9 . 1 1 14 14 CYS N N 15 . 1 1 14 14 CYS H H 1 0.7464 . . . . . . . . . . . 27646 1 10 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.8188 . . . . . . . . . . . 27646 1 11 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.9143 . . . . . . . . . . . 27646 1 12 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.9037 . . . . . . . . . . . 27646 1 13 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.7609 . . . . . . . . . . . 27646 1 14 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.8532 . . . . . . . . . . . 27646 1 15 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.8640 . . . . . . . . . . . 27646 1 16 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.8558 . . . . . . . . . . . 27646 1 17 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.7509 . . . . . . . . . . . 27646 1 18 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.9033 . . . . . . . . . . . 27646 1 19 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.8714 . . . . . . . . . . . 27646 1 20 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.8077 . . . . . . . . . . . 27646 1 21 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.7799 . . . . . . . . . . . 27646 1 22 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.8407 . . . . . . . . . . . 27646 1 23 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.8442 . . . . . . . . . . . 27646 1 24 . 1 1 29 29 HIS N N 15 . 1 1 29 29 HIS H H 1 0.7979 . . . . . . . . . . . 27646 1 25 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.8332 . . . . . . . . . . . 27646 1 26 . 1 1 32 32 ASP N N 15 . 1 1 32 32 ASP H H 1 0.7286 . . . . . . . . . . . 27646 1 27 . 1 1 34 34 TYR N N 15 . 1 1 34 34 TYR H H 1 0.4221 . . . . . . . . . . . 27646 1 28 . 1 1 35 35 ASP N N 15 . 1 1 35 35 ASP H H 1 0.8152 . . . . . . . . . . . 27646 1 29 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.7952 . . . . . . . . . . . 27646 1 30 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.7482 . . . . . . . . . . . 27646 1 31 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.7575 . . . . . . . . . . . 27646 1 32 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.8267 . . . . . . . . . . . 27646 1 33 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.7154 . . . . . . . . . . . 27646 1 34 . 1 1 43 43 ARG N N 15 . 1 1 43 43 ARG H H 1 0.8212 . . . . . . . . . . . 27646 1 35 . 1 1 44 44 LYS N N 15 . 1 1 44 44 LYS H H 1 0.7415 . . . . . . . . . . . 27646 1 36 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN H H 1 0.8177 . . . . . . . . . . . 27646 1 37 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.8405 . . . . . . . . . . . 27646 1 38 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.7583 . . . . . . . . . . . 27646 1 39 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.7762 . . . . . . . . . . . 27646 1 40 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.7660 . . . . . . . . . . . 27646 1 41 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.8450 . . . . . . . . . . . 27646 1 42 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.7759 . . . . . . . . . . . 27646 1 43 . 1 1 53 53 CYS N N 15 . 1 1 53 53 CYS H H 1 0.8051 . . . . . . . . . . . 27646 1 44 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.7307 . . . . . . . . . . . 27646 1 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.7900 . . . . . . . . . . . 27646 1 46 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.8161 . . . . . . . . . . . 27646 1 47 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.8773 . . . . . . . . . . . 27646 1 48 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 0.7746 . . . . . . . . . . . 27646 1 49 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8875 . . . . . . . . . . . 27646 1 50 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.5700 . . . . . . . . . . . 27646 1 51 . 1 1 63 63 GLN N N 15 . 1 1 63 63 GLN H H 1 0.6017 . . . . . . . . . . . 27646 1 52 . 1 1 64 64 GLU N N 15 . 1 1 64 64 GLU H H 1 0.6180 . . . . . . . . . . . 27646 1 53 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.5344 . . . . . . . . . . . 27646 1 54 . 1 1 69 69 MET N N 15 . 1 1 69 69 MET H H 1 0.7488 . . . . . . . . . . . 27646 1 55 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8180 . . . . . . . . . . . 27646 1 56 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.7668 . . . . . . . . . . . 27646 1 57 . 1 1 73 73 TYR N N 15 . 1 1 73 73 TYR H H 1 0.8070 . . . . . . . . . . . 27646 1 58 . 1 1 74 74 MET N N 15 . 1 1 74 74 MET H H 1 0.7846 . . . . . . . . . . . 27646 1 59 . 1 1 75 75 ARG N N 15 . 1 1 75 75 ARG H H 1 0.7824 . . . . . . . . . . . 27646 1 60 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.8316 . . . . . . . . . . . 27646 1 61 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.9042 . . . . . . . . . . . 27646 1 62 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.7116 . . . . . . . . . . . 27646 1 63 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.8431 . . . . . . . . . . . 27646 1 64 . 1 1 80 80 PHE N N 15 . 1 1 80 80 PHE H H 1 0.8927 . . . . . . . . . . . 27646 1 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.8990 . . . . . . . . . . . 27646 1 66 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.7953 . . . . . . . . . . . 27646 1 67 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.8017 . . . . . . . . . . . 27646 1 68 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.8547 . . . . . . . . . . . 27646 1 69 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.8491 . . . . . . . . . . . 27646 1 70 . 1 1 86 86 ILE N N 15 . 1 1 86 86 ILE H H 1 0.8537 . . . . . . . . . . . 27646 1 71 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8619 . . . . . . . . . . . 27646 1 72 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.7812 . . . . . . . . . . . 27646 1 73 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.8419 . . . . . . . . . . . 27646 1 74 . 1 1 91 91 SER N N 15 . 1 1 91 91 SER H H 1 0.8446 . . . . . . . . . . . 27646 1 75 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.8312 . . . . . . . . . . . 27646 1 76 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.8262 . . . . . . . . . . . 27646 1 77 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8329 . . . . . . . . . . . 27646 1 78 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.8105 . . . . . . . . . . . 27646 1 79 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.8443 . . . . . . . . . . . 27646 1 80 . 1 1 98 98 TYR N N 15 . 1 1 98 98 TYR H H 1 0.9117 . . . . . . . . . . . 27646 1 81 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.8326 . . . . . . . . . . . 27646 1 82 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.8240 . . . . . . . . . . . 27646 1 83 . 1 1 102 102 ILE N N 15 . 1 1 102 102 ILE H H 1 0.7820 . . . . . . . . . . . 27646 1 84 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.8554 . . . . . . . . . . . 27646 1 85 . 1 1 106 106 LYS N N 15 . 1 1 106 106 LYS H H 1 0.7374 . . . . . . . . . . . 27646 1 86 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.7550 . . . . . . . . . . . 27646 1 87 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.6814 . . . . . . . . . . . 27646 1 88 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 0.4062 . . . . . . . . . . . 27646 1 89 . 1 1 114 114 VAL N N 15 . 1 1 114 114 VAL H H 1 0.8435 . . . . . . . . . . . 27646 1 90 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8292 . . . . . . . . . . . 27646 1 91 . 1 1 116 116 VAL N N 15 . 1 1 116 116 VAL H H 1 0.7526 . . . . . . . . . . . 27646 1 92 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.7541 . . . . . . . . . . . 27646 1 93 . 1 1 118 118 ASN N N 15 . 1 1 118 118 ASN H H 1 0.8205 . . . . . . . . . . . 27646 1 94 . 1 1 119 119 LYS N N 15 . 1 1 119 119 LYS H H 1 0.7880 . . . . . . . . . . . 27646 1 95 . 1 1 120 120 CYS N N 15 . 1 1 120 120 CYS H H 1 0.7856 . . . . . . . . . . . 27646 1 96 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.7790 . . . . . . . . . . . 27646 1 97 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.8345 . . . . . . . . . . . 27646 1 98 . 1 1 124 124 SER N N 15 . 1 1 124 124 SER H H 1 0.6424 . . . . . . . . . . . 27646 1 99 . 1 1 126 126 THR N N 15 . 1 1 126 126 THR H H 1 0.8022 . . . . . . . . . . . 27646 1 100 . 1 1 127 127 VAL N N 15 . 1 1 127 127 VAL H H 1 0.8277 . . . . . . . . . . . 27646 1 101 . 1 1 128 128 ASP N N 15 . 1 1 128 128 ASP H H 1 0.7201 . . . . . . . . . . . 27646 1 102 . 1 1 129 129 THR N N 15 . 1 1 129 129 THR H H 1 0.8477 . . . . . . . . . . . 27646 1 103 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.7516 . . . . . . . . . . . 27646 1 104 . 1 1 131 131 GLN N N 15 . 1 1 131 131 GLN H H 1 0.7972 . . . . . . . . . . . 27646 1 105 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.7967 . . . . . . . . . . . 27646 1 106 . 1 1 133 133 GLN N N 15 . 1 1 133 133 GLN H H 1 0.8085 . . . . . . . . . . . 27646 1 107 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.8626 . . . . . . . . . . . 27646 1 108 . 1 1 135 135 LEU N N 15 . 1 1 135 135 LEU H H 1 0.8176 . . . . . . . . . . . 27646 1 109 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.9516 . . . . . . . . . . . 27646 1 110 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.7821 . . . . . . . . . . . 27646 1 111 . 1 1 138 138 SER N N 15 . 1 1 138 138 SER H H 1 0.8828 . . . . . . . . . . . 27646 1 112 . 1 1 139 139 TYR N N 15 . 1 1 139 139 TYR H H 1 0.8319 . . . . . . . . . . . 27646 1 113 . 1 1 140 140 GLY N N 15 . 1 1 140 140 GLY H H 1 0.8521 . . . . . . . . . . . 27646 1 114 . 1 1 141 141 ILE N N 15 . 1 1 141 141 ILE H H 1 0.8501 . . . . . . . . . . . 27646 1 115 . 1 1 144 144 ILE N N 15 . 1 1 144 144 ILE H H 1 0.8521 . . . . . . . . . . . 27646 1 116 . 1 1 145 145 GLU N N 15 . 1 1 145 145 GLU H H 1 0.8123 . . . . . . . . . . . 27646 1 117 . 1 1 146 146 THR N N 15 . 1 1 146 146 THR H H 1 0.8377 . . . . . . . . . . . 27646 1 118 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.7733 . . . . . . . . . . . 27646 1 119 . 1 1 148 148 ALA N N 15 . 1 1 148 148 ALA H H 1 0.8105 . . . . . . . . . . . 27646 1 120 . 1 1 149 149 LYS N N 15 . 1 1 149 149 LYS H H 1 0.7992 . . . . . . . . . . . 27646 1 121 . 1 1 150 150 THR N N 15 . 1 1 150 150 THR H H 1 0.8243 . . . . . . . . . . . 27646 1 122 . 1 1 152 152 GLN N N 15 . 1 1 152 152 GLN H H 1 0.7267 . . . . . . . . . . . 27646 1 123 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.7625 . . . . . . . . . . . 27646 1 124 . 1 1 154 154 VAL N N 15 . 1 1 154 154 VAL H H 1 0.8092 . . . . . . . . . . . 27646 1 125 . 1 1 155 155 ASP N N 15 . 1 1 155 155 ASP H H 1 0.7996 . . . . . . . . . . . 27646 1 126 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.8584 . . . . . . . . . . . 27646 1 127 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.8272 . . . . . . . . . . . 27646 1 128 . 1 1 158 158 PHE N N 15 . 1 1 158 158 PHE H H 1 0.7999 . . . . . . . . . . . 27646 1 129 . 1 1 159 159 TYR N N 15 . 1 1 159 159 TYR H H 1 0.8820 . . . . . . . . . . . 27646 1 130 . 1 1 160 160 THR N N 15 . 1 1 160 160 THR H H 1 0.8315 . . . . . . . . . . . 27646 1 131 . 1 1 161 161 LEU N N 15 . 1 1 161 161 LEU H H 1 0.7971 . . . . . . . . . . . 27646 1 132 . 1 1 163 163 ARG N N 15 . 1 1 163 163 ARG H H 1 0.8996 . . . . . . . . . . . 27646 1 133 . 1 1 164 164 GLU N N 15 . 1 1 164 164 GLU H H 1 0.7323 . . . . . . . . . . . 27646 1 134 . 1 1 165 165 ILE N N 15 . 1 1 165 165 ILE H H 1 0.7836 . . . . . . . . . . . 27646 1 135 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.8120 . . . . . . . . . . . 27646 1 136 . 1 1 168 168 HIS N N 15 . 1 1 168 168 HIS H H 1 0.7546 . . . . . . . . . . . 27646 1 137 . 1 1 169 169 LYS N N 15 . 1 1 169 169 LYS H H 1 0.7012 . . . . . . . . . . . 27646 1 138 . 1 1 171 171 LYS N N 15 . 1 1 171 171 LYS H H 1 0.0808 . . . . . . . . . . . 27646 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27646 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 8 '2D 1H-15N HSQC' 2 $sample_2 . 27646 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 THR N N 15 0.8955 0.0253 . . . . . 27646 1 2 . 1 1 5 5 GLU N N 15 0.9812 0.0295 . . . . . 27646 1 3 . 1 1 6 6 TYR N N 15 1.0070 0.0092 . . . . . 27646 1 4 . 1 1 7 7 LYS N N 15 1.0690 0.0228 . . . . . 27646 1 5 . 1 1 8 8 LEU N N 15 0.9870 0.0318 . . . . . 27646 1 6 . 1 1 10 10 VAL N N 15 1.0640 0.0430 . . . . . 27646 1 7 . 1 1 11 11 VAL N N 15 1.0050 0.0382 . . . . . 27646 1 8 . 1 1 12 12 GLY N N 15 1.0440 0.0694 . . . . . 27646 1 9 . 1 1 14 14 CYS N N 15 1.0510 0.0633 . . . . . 27646 1 10 . 1 1 15 15 GLY N N 15 1.1350 0.0634 . . . . . 27646 1 11 . 1 1 16 16 VAL N N 15 1.0580 0.0547 . . . . . 27646 1 12 . 1 1 17 17 GLY N N 15 0.9662 0.0529 . . . . . 27646 1 13 . 1 1 18 18 LYS N N 15 1.0590 0.0309 . . . . . 27646 1 14 . 1 1 19 19 SER N N 15 0.9850 0.0376 . . . . . 27646 1 15 . 1 1 20 20 ALA N N 15 1.0810 0.0404 . . . . . 27646 1 16 . 1 1 21 21 LEU N N 15 0.9844 0.0248 . . . . . 27646 1 17 . 1 1 22 22 THR N N 15 1.0260 0.0328 . . . . . 27646 1 18 . 1 1 23 23 ILE N N 15 1.0020 0.0196 . . . . . 27646 1 19 . 1 1 24 24 GLN N N 15 0.9137 0.0239 . . . . . 27646 1 20 . 1 1 25 25 LEU N N 15 1.0000 0.0358 . . . . . 27646 1 21 . 1 1 26 26 ILE N N 15 1.0120 0.0343 . . . . . 27646 1 22 . 1 1 27 27 GLN N N 15 0.9770 0.0185 . . . . . 27646 1 23 . 1 1 28 28 ASN N N 15 1.0130 0.0515 . . . . . 27646 1 24 . 1 1 29 29 HIS N N 15 0.9306 0.0382 . . . . . 27646 1 25 . 1 1 31 31 VAL N N 15 1.0980 0.0684 . . . . . 27646 1 26 . 1 1 32 32 ASP N N 15 0.9451 0.1340 . . . . . 27646 1 27 . 1 1 34 34 TYR N N 15 0.9842 0.0598 . . . . . 27646 1 28 . 1 1 35 35 ASP N N 15 1.1660 0.0583 . . . . . 27646 1 29 . 1 1 37 37 THR N N 15 0.9878 0.0801 . . . . . 27646 1 30 . 1 1 38 38 ILE N N 15 0.9932 0.0921 . . . . . 27646 1 31 . 1 1 39 39 GLU N N 15 0.9952 0.0507 . . . . . 27646 1 32 . 1 1 40 40 ASP N N 15 0.9698 0.0186 . . . . . 27646 1 33 . 1 1 41 41 SER N N 15 1.0030 0.0315 . . . . . 27646 1 34 . 1 1 43 43 ARG N N 15 1.1180 0.0361 . . . . . 27646 1 35 . 1 1 44 44 LYS N N 15 1.0290 0.0239 . . . . . 27646 1 36 . 1 1 45 45 GLN N N 15 1.0280 0.0153 . . . . . 27646 1 37 . 1 1 46 46 VAL N N 15 0.9030 0.0235 . . . . . 27646 1 38 . 1 1 47 47 VAL N N 15 1.0160 0.0175 . . . . . 27646 1 39 . 1 1 48 48 ILE N N 15 1.1210 0.0505 . . . . . 27646 1 40 . 1 1 50 50 GLY N N 15 1.0230 0.0873 . . . . . 27646 1 41 . 1 1 51 51 GLU N N 15 1.1270 0.0567 . . . . . 27646 1 42 . 1 1 52 52 THR N N 15 1.0380 0.0587 . . . . . 27646 1 43 . 1 1 53 53 CYS N N 15 0.9685 0.0334 . . . . . 27646 1 44 . 1 1 54 54 LEU N N 15 1.0440 0.0186 . . . . . 27646 1 45 . 1 1 55 55 LEU N N 15 1.0370 0.0249 . . . . . 27646 1 46 . 1 1 56 56 ASP N N 15 1.0470 0.0219 . . . . . 27646 1 47 . 1 1 58 58 LEU N N 15 0.9870 0.0268 . . . . . 27646 1 48 . 1 1 59 59 ASP N N 15 1.0180 0.0511 . . . . . 27646 1 49 . 1 1 60 60 THR N N 15 1.0500 0.0329 . . . . . 27646 1 50 . 1 1 62 62 GLY N N 15 0.8321 0.0509 . . . . . 27646 1 51 . 1 1 63 63 GLN N N 15 0.9454 0.0228 . . . . . 27646 1 52 . 1 1 64 64 GLU N N 15 0.8803 0.1320 . . . . . 27646 1 53 . 1 1 66 66 TYR N N 15 0.9792 0.0158 . . . . . 27646 1 54 . 1 1 69 69 MET N N 15 0.9310 0.0711 . . . . . 27646 1 55 . 1 1 70 70 ARG N N 15 0.9457 0.0435 . . . . . 27646 1 56 . 1 1 71 71 ASP N N 15 0.9028 0.0217 . . . . . 27646 1 57 . 1 1 73 73 TYR N N 15 0.9585 0.0341 . . . . . 27646 1 58 . 1 1 74 74 MET N N 15 1.0330 0.0706 . . . . . 27646 1 59 . 1 1 75 75 ARG N N 15 0.9679 0.0181 . . . . . 27646 1 60 . 1 1 76 76 THR N N 15 0.9810 0.0256 . . . . . 27646 1 61 . 1 1 77 77 GLY N N 15 0.9601 0.0703 . . . . . 27646 1 62 . 1 1 78 78 GLU N N 15 0.9471 0.0321 . . . . . 27646 1 63 . 1 1 79 79 GLY N N 15 0.9373 0.0176 . . . . . 27646 1 64 . 1 1 80 80 PHE N N 15 1.0660 0.0514 . . . . . 27646 1 65 . 1 1 81 81 LEU N N 15 1.0010 0.0220 . . . . . 27646 1 66 . 1 1 82 82 CYS N N 15 1.0910 0.0338 . . . . . 27646 1 67 . 1 1 83 83 VAL N N 15 0.9960 0.0122 . . . . . 27646 1 68 . 1 1 84 84 PHE N N 15 1.0020 0.0524 . . . . . 27646 1 69 . 1 1 85 85 ALA N N 15 1.0500 0.0297 . . . . . 27646 1 70 . 1 1 86 86 ILE N N 15 1.0170 0.0413 . . . . . 27646 1 71 . 1 1 87 87 ASN N N 15 1.0040 0.0268 . . . . . 27646 1 72 . 1 1 88 88 ASN N N 15 1.0540 0.0700 . . . . . 27646 1 73 . 1 1 90 90 LYS N N 15 0.9383 0.0383 . . . . . 27646 1 74 . 1 1 91 91 SER N N 15 1.0900 0.0212 . . . . . 27646 1 75 . 1 1 92 92 PHE N N 15 1.0810 0.0252 . . . . . 27646 1 76 . 1 1 94 94 ASP N N 15 1.0750 0.0217 . . . . . 27646 1 77 . 1 1 95 95 ILE N N 15 0.9495 0.0208 . . . . . 27646 1 78 . 1 1 96 96 HIS N N 15 1.0160 0.0529 . . . . . 27646 1 79 . 1 1 97 97 HIS N N 15 0.9126 0.1030 . . . . . 27646 1 80 . 1 1 98 98 TYR N N 15 0.9647 0.0321 . . . . . 27646 1 81 . 1 1 99 99 ARG N N 15 1.0620 0.0200 . . . . . 27646 1 82 . 1 1 100 100 GLU N N 15 1.0410 0.0332 . . . . . 27646 1 83 . 1 1 102 102 ILE N N 15 1.0430 0.0424 . . . . . 27646 1 84 . 1 1 105 105 VAL N N 15 1.1200 0.0491 . . . . . 27646 1 85 . 1 1 106 106 LYS N N 15 1.0170 0.0232 . . . . . 27646 1 86 . 1 1 107 107 ASP N N 15 0.9907 0.0252 . . . . . 27646 1 87 . 1 1 108 108 SER N N 15 0.9930 0.0168 . . . . . 27646 1 88 . 1 1 111 111 VAL N N 15 0.9994 0.0401 . . . . . 27646 1 89 . 1 1 114 114 VAL N N 15 1.0530 0.0298 . . . . . 27646 1 90 . 1 1 115 115 LEU N N 15 0.9473 0.0201 . . . . . 27646 1 91 . 1 1 116 116 VAL N N 15 1.0510 0.0598 . . . . . 27646 1 92 . 1 1 117 117 GLY N N 15 1.0560 0.0186 . . . . . 27646 1 93 . 1 1 118 118 ASN N N 15 1.0070 0.0125 . . . . . 27646 1 94 . 1 1 119 119 LYS N N 15 1.0560 0.0783 . . . . . 27646 1 95 . 1 1 120 120 CYS N N 15 1.0840 0.0537 . . . . . 27646 1 96 . 1 1 121 121 ASP N N 15 0.9231 0.0229 . . . . . 27646 1 97 . 1 1 122 122 LEU N N 15 1.0090 0.0173 . . . . . 27646 1 98 . 1 1 124 124 SER N N 15 1.1530 0.0255 . . . . . 27646 1 99 . 1 1 126 126 THR N N 15 0.9770 0.0695 . . . . . 27646 1 100 . 1 1 127 127 VAL N N 15 1.0420 0.0536 . . . . . 27646 1 101 . 1 1 128 128 ASP N N 15 0.9953 0.0241 . . . . . 27646 1 102 . 1 1 129 129 THR N N 15 1.0660 0.0465 . . . . . 27646 1 103 . 1 1 130 130 LYS N N 15 1.0450 0.0317 . . . . . 27646 1 104 . 1 1 131 131 GLN N N 15 1.0340 0.0210 . . . . . 27646 1 105 . 1 1 132 132 ALA N N 15 1.0170 0.0297 . . . . . 27646 1 106 . 1 1 133 133 GLN N N 15 1.0360 0.0174 . . . . . 27646 1 107 . 1 1 134 134 ASP N N 15 1.0290 0.0186 . . . . . 27646 1 108 . 1 1 135 135 LEU N N 15 0.9799 0.0181 . . . . . 27646 1 109 . 1 1 136 136 ALA N N 15 0.9627 0.0211 . . . . . 27646 1 110 . 1 1 137 137 ARG N N 15 1.0760 0.0198 . . . . . 27646 1 111 . 1 1 138 138 SER N N 15 1.0580 0.0381 . . . . . 27646 1 112 . 1 1 139 139 TYR N N 15 1.0940 0.0670 . . . . . 27646 1 113 . 1 1 140 140 GLY N N 15 1.0820 0.0249 . . . . . 27646 1 114 . 1 1 141 141 ILE N N 15 1.0350 0.0402 . . . . . 27646 1 115 . 1 1 144 144 ILE N N 15 1.0120 0.0250 . . . . . 27646 1 116 . 1 1 145 145 GLU N N 15 1.0940 0.0627 . . . . . 27646 1 117 . 1 1 146 146 THR N N 15 1.0150 0.0411 . . . . . 27646 1 118 . 1 1 147 147 SER N N 15 1.0790 0.0226 . . . . . 27646 1 119 . 1 1 148 148 ALA N N 15 1.0020 0.0074 . . . . . 27646 1 120 . 1 1 149 149 LYS N N 15 1.0660 0.1120 . . . . . 27646 1 121 . 1 1 150 150 THR N N 15 1.0580 0.0491 . . . . . 27646 1 122 . 1 1 152 152 GLN N N 15 1.1280 0.0251 . . . . . 27646 1 123 . 1 1 153 153 GLY N N 15 0.9375 0.0328 . . . . . 27646 1 124 . 1 1 154 154 VAL N N 15 0.9568 0.0106 . . . . . 27646 1 125 . 1 1 155 155 ASP N N 15 1.0410 0.0557 . . . . . 27646 1 126 . 1 1 156 156 ASP N N 15 1.0720 0.0159 . . . . . 27646 1 127 . 1 1 157 157 ALA N N 15 0.9332 0.0308 . . . . . 27646 1 128 . 1 1 158 158 PHE N N 15 1.0470 0.0050 . . . . . 27646 1 129 . 1 1 159 159 TYR N N 15 1.0250 0.0322 . . . . . 27646 1 130 . 1 1 160 160 THR N N 15 1.1020 0.0224 . . . . . 27646 1 131 . 1 1 161 161 LEU N N 15 0.9327 0.0177 . . . . . 27646 1 132 . 1 1 163 163 ARG N N 15 1.0220 0.0288 . . . . . 27646 1 133 . 1 1 164 164 GLU N N 15 1.0130 0.0283 . . . . . 27646 1 134 . 1 1 165 165 ILE N N 15 1.0180 0.0432 . . . . . 27646 1 135 . 1 1 166 166 ARG N N 15 0.9975 0.0075 . . . . . 27646 1 136 . 1 1 168 168 HIS N N 15 0.9022 0.0112 . . . . . 27646 1 137 . 1 1 169 169 LYS N N 15 0.9148 0.0077 . . . . . 27646 1 138 . 1 1 171 171 LYS N N 15 0.8102 0.0072 . . . . . 27646 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27646 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '2D 1H-15N HSQC' 2 $sample_2 . 27646 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 THR N N 15 0.1083 0.0071 . . . . . . . 27646 1 2 . 1 1 5 5 GLU N N 15 0.0805 0.0030 . . . . . . . 27646 1 3 . 1 1 6 6 TYR N N 15 0.0759 0.0022 . . . . . . . 27646 1 4 . 1 1 7 7 LYS N N 15 0.0828 0.0033 . . . . . . . 27646 1 5 . 1 1 8 8 LEU N N 15 0.0758 0.0048 . . . . . . . 27646 1 6 . 1 1 10 10 VAL N N 15 0.0623 0.0021 . . . . . . . 27646 1 7 . 1 1 11 11 VAL N N 15 0.0686 0.0026 . . . . . . . 27646 1 8 . 1 1 12 12 GLY N N 15 0.0676 0.0049 . . . . . . . 27646 1 9 . 1 1 14 14 CYS N N 15 0.0653 0.0029 . . . . . . . 27646 1 10 . 1 1 15 15 GLY N N 15 0.0493 0.0028 . . . . . . . 27646 1 11 . 1 1 16 16 VAL N N 15 0.0737 0.0036 . . . . . . . 27646 1 12 . 1 1 17 17 GLY N N 15 0.0591 0.0025 . . . . . . . 27646 1 13 . 1 1 18 18 LYS N N 15 0.0700 0.0033 . . . . . . . 27646 1 14 . 1 1 19 19 SER N N 15 0.0660 0.0035 . . . . . . . 27646 1 15 . 1 1 20 20 ALA N N 15 0.0713 0.0043 . . . . . . . 27646 1 16 . 1 1 21 21 LEU N N 15 0.0684 0.0034 . . . . . . . 27646 1 17 . 1 1 22 22 THR N N 15 0.0749 0.0035 . . . . . . . 27646 1 18 . 1 1 23 23 ILE N N 15 0.0706 0.0028 . . . . . . . 27646 1 19 . 1 1 24 24 GLN N N 15 0.0611 0.0027 . . . . . . . 27646 1 20 . 1 1 25 25 LEU N N 15 0.0742 0.0045 . . . . . . . 27646 1 21 . 1 1 26 26 ILE N N 15 0.0787 0.0035 . . . . . . . 27646 1 22 . 1 1 27 27 GLN N N 15 0.0731 0.0029 . . . . . . . 27646 1 23 . 1 1 28 28 ASN N N 15 0.0766 0.0031 . . . . . . . 27646 1 24 . 1 1 29 29 HIS N N 15 0.0684 0.0012 . . . . . . . 27646 1 25 . 1 1 31 31 VAL N N 15 0.0660 0.0077 . . . . . . . 27646 1 26 . 1 1 32 32 ASP N N 15 0.0652 0.0116 . . . . . . . 27646 1 27 . 1 1 34 34 TYR N N 15 0.0708 0.0059 . . . . . . . 27646 1 28 . 1 1 35 35 ASP N N 15 0.0570 0.0033 . . . . . . . 27646 1 29 . 1 1 37 37 THR N N 15 0.0584 0.0043 . . . . . . . 27646 1 30 . 1 1 38 38 ILE N N 15 0.0710 0.0037 . . . . . . . 27646 1 31 . 1 1 39 39 GLU N N 15 0.0417 0.0022 . . . . . . . 27646 1 32 . 1 1 40 40 ASP N N 15 0.0661 0.0037 . . . . . . . 27646 1 33 . 1 1 41 41 SER N N 15 0.0751 0.0070 . . . . . . . 27646 1 34 . 1 1 43 43 ARG N N 15 0.0792 0.0026 . . . . . . . 27646 1 35 . 1 1 44 44 LYS N N 15 0.0816 0.0027 . . . . . . . 27646 1 36 . 1 1 45 45 GLN N N 15 0.0691 0.0014 . . . . . . . 27646 1 37 . 1 1 46 46 VAL N N 15 0.0722 0.0013 . . . . . . . 27646 1 38 . 1 1 47 47 VAL N N 15 0.0832 0.0028 . . . . . . . 27646 1 39 . 1 1 48 48 ILE N N 15 0.0807 0.0030 . . . . . . . 27646 1 40 . 1 1 50 50 GLY N N 15 0.0971 0.0074 . . . . . . . 27646 1 41 . 1 1 51 51 GLU N N 15 0.0775 0.0044 . . . . . . . 27646 1 42 . 1 1 52 52 THR N N 15 0.0872 0.0062 . . . . . . . 27646 1 43 . 1 1 53 53 CYS N N 15 0.0799 0.0044 . . . . . . . 27646 1 44 . 1 1 54 54 LEU N N 15 0.0786 0.0031 . . . . . . . 27646 1 45 . 1 1 55 55 LEU N N 15 0.0853 0.0019 . . . . . . . 27646 1 46 . 1 1 56 56 ASP N N 15 0.0778 0.0011 . . . . . . . 27646 1 47 . 1 1 58 58 LEU N N 15 0.0665 0.0047 . . . . . . . 27646 1 48 . 1 1 59 59 ASP N N 15 0.0537 0.0028 . . . . . . . 27646 1 49 . 1 1 60 60 THR N N 15 0.0536 0.0015 . . . . . . . 27646 1 50 . 1 1 62 62 GLY N N 15 0.0903 0.0072 . . . . . . . 27646 1 51 . 1 1 63 63 GLN N N 15 0.0916 0.0103 . . . . . . . 27646 1 52 . 1 1 64 64 GLU N N 15 0.0742 0.0063 . . . . . . . 27646 1 53 . 1 1 66 66 TYR N N 15 0.0638 0.0117 . . . . . . . 27646 1 54 . 1 1 69 69 MET N N 15 0.0737 0.0049 . . . . . . . 27646 1 55 . 1 1 70 70 ARG N N 15 0.0686 0.0057 . . . . . . . 27646 1 56 . 1 1 71 71 ASP N N 15 0.0691 0.0036 . . . . . . . 27646 1 57 . 1 1 73 73 TYR N N 15 0.0686 0.0042 . . . . . . . 27646 1 58 . 1 1 74 74 MET N N 15 0.0665 0.0032 . . . . . . . 27646 1 59 . 1 1 75 75 ARG N N 15 0.0651 0.0025 . . . . . . . 27646 1 60 . 1 1 76 76 THR N N 15 0.0676 0.0110 . . . . . . . 27646 1 61 . 1 1 77 77 GLY N N 15 0.0605 0.0015 . . . . . . . 27646 1 62 . 1 1 78 78 GLU N N 15 0.0718 0.0046 . . . . . . . 27646 1 63 . 1 1 79 79 GLY N N 15 0.0830 0.0039 . . . . . . . 27646 1 64 . 1 1 80 80 PHE N N 15 0.0650 0.0022 . . . . . . . 27646 1 65 . 1 1 81 81 LEU N N 15 0.0748 0.0018 . . . . . . . 27646 1 66 . 1 1 82 82 CYS N N 15 0.0850 0.0034 . . . . . . . 27646 1 67 . 1 1 83 83 VAL N N 15 0.0815 0.0025 . . . . . . . 27646 1 68 . 1 1 84 84 PHE N N 15 0.0727 0.0011 . . . . . . . 27646 1 69 . 1 1 85 85 ALA N N 15 0.0689 0.0034 . . . . . . . 27646 1 70 . 1 1 86 86 ILE N N 15 0.0726 0.0030 . . . . . . . 27646 1 71 . 1 1 87 87 ASN N N 15 0.0663 0.0024 . . . . . . . 27646 1 72 . 1 1 88 88 ASN N N 15 0.0644 0.0014 . . . . . . . 27646 1 73 . 1 1 90 90 LYS N N 15 0.0705 0.0050 . . . . . . . 27646 1 74 . 1 1 91 91 SER N N 15 0.0748 0.0047 . . . . . . . 27646 1 75 . 1 1 92 92 PHE N N 15 0.0687 0.0026 . . . . . . . 27646 1 76 . 1 1 94 94 ASP N N 15 0.0696 0.0026 . . . . . . . 27646 1 77 . 1 1 95 95 ILE N N 15 0.0635 0.0015 . . . . . . . 27646 1 78 . 1 1 96 96 HIS N N 15 0.0726 0.0122 . . . . . . . 27646 1 79 . 1 1 97 97 HIS N N 15 0.0703 0.0042 . . . . . . . 27646 1 80 . 1 1 98 98 TYR N N 15 0.0626 0.0036 . . . . . . . 27646 1 81 . 1 1 99 99 ARG N N 15 0.0656 0.0031 . . . . . . . 27646 1 82 . 1 1 100 100 GLU N N 15 0.0692 0.0018 . . . . . . . 27646 1 83 . 1 1 102 102 ILE N N 15 0.0665 0.0021 . . . . . . . 27646 1 84 . 1 1 105 105 VAL N N 15 0.0695 0.0026 . . . . . . . 27646 1 85 . 1 1 106 106 LYS N N 15 0.0691 0.0028 . . . . . . . 27646 1 86 . 1 1 107 107 ASP N N 15 0.0727 0.0028 . . . . . . . 27646 1 87 . 1 1 108 108 SER N N 15 0.0686 0.0032 . . . . . . . 27646 1 88 . 1 1 111 111 VAL N N 15 0.1106 0.0048 . . . . . . . 27646 1 89 . 1 1 114 114 VAL N N 15 0.0739 0.0019 . . . . . . . 27646 1 90 . 1 1 115 115 LEU N N 15 0.0675 0.0033 . . . . . . . 27646 1 91 . 1 1 116 116 VAL N N 15 0.0663 0.0018 . . . . . . . 27646 1 92 . 1 1 117 117 GLY N N 15 0.0737 0.0043 . . . . . . . 27646 1 93 . 1 1 118 118 ASN N N 15 0.0727 0.0011 . . . . . . . 27646 1 94 . 1 1 119 119 LYS N N 15 0.0564 0.0069 . . . . . . . 27646 1 95 . 1 1 120 120 CYS N N 15 0.0668 0.0033 . . . . . . . 27646 1 96 . 1 1 121 121 ASP N N 15 0.0692 0.0016 . . . . . . . 27646 1 97 . 1 1 122 122 LEU N N 15 0.0693 0.0041 . . . . . . . 27646 1 98 . 1 1 124 124 SER N N 15 0.0991 0.0043 . . . . . . . 27646 1 99 . 1 1 126 126 THR N N 15 0.0717 0.0054 . . . . . . . 27646 1 100 . 1 1 127 127 VAL N N 15 0.0790 0.0058 . . . . . . . 27646 1 101 . 1 1 128 128 ASP N N 15 0.0720 0.0012 . . . . . . . 27646 1 102 . 1 1 129 129 THR N N 15 0.0736 0.0041 . . . . . . . 27646 1 103 . 1 1 130 130 LYS N N 15 0.0717 0.0026 . . . . . . . 27646 1 104 . 1 1 131 131 GLN N N 15 0.0738 0.0027 . . . . . . . 27646 1 105 . 1 1 132 132 ALA N N 15 0.0712 0.0011 . . . . . . . 27646 1 106 . 1 1 133 133 GLN N N 15 0.0686 0.0017 . . . . . . . 27646 1 107 . 1 1 134 134 ASP N N 15 0.0655 0.0018 . . . . . . . 27646 1 108 . 1 1 135 135 LEU N N 15 0.0722 0.0025 . . . . . . . 27646 1 109 . 1 1 136 136 ALA N N 15 0.0656 0.0014 . . . . . . . 27646 1 110 . 1 1 137 137 ARG N N 15 0.0713 0.0019 . . . . . . . 27646 1 111 . 1 1 138 138 SER N N 15 0.0682 0.0007 . . . . . . . 27646 1 112 . 1 1 139 139 TYR N N 15 0.0763 0.0038 . . . . . . . 27646 1 113 . 1 1 140 140 GLY N N 15 0.0658 0.0013 . . . . . . . 27646 1 114 . 1 1 141 141 ILE N N 15 0.0685 0.0013 . . . . . . . 27646 1 115 . 1 1 144 144 ILE N N 15 0.0716 0.0037 . . . . . . . 27646 1 116 . 1 1 145 145 GLU N N 15 0.0842 0.0038 . . . . . . . 27646 1 117 . 1 1 146 146 THR N N 15 0.0633 0.0058 . . . . . . . 27646 1 118 . 1 1 147 147 SER N N 15 0.0797 0.0036 . . . . . . . 27646 1 119 . 1 1 148 148 ALA N N 15 0.0710 0.0048 . . . . . . . 27646 1 120 . 1 1 149 149 LYS N N 15 0.0724 0.0034 . . . . . . . 27646 1 121 . 1 1 150 150 THR N N 15 0.0767 0.0066 . . . . . . . 27646 1 122 . 1 1 152 152 GLN N N 15 0.0859 0.0036 . . . . . . . 27646 1 123 . 1 1 153 153 GLY N N 15 0.0731 0.0057 . . . . . . . 27646 1 124 . 1 1 154 154 VAL N N 15 0.0668 0.0010 . . . . . . . 27646 1 125 . 1 1 155 155 ASP N N 15 0.0670 0.0026 . . . . . . . 27646 1 126 . 1 1 156 156 ASP N N 15 0.0772 0.0015 . . . . . . . 27646 1 127 . 1 1 157 157 ALA N N 15 0.0699 0.0019 . . . . . . . 27646 1 128 . 1 1 158 158 PHE N N 15 0.0791 0.0022 . . . . . . . 27646 1 129 . 1 1 159 159 TYR N N 15 0.0681 0.0030 . . . . . . . 27646 1 130 . 1 1 160 160 THR N N 15 0.0723 0.0025 . . . . . . . 27646 1 131 . 1 1 161 161 LEU N N 15 0.0682 0.0012 . . . . . . . 27646 1 132 . 1 1 163 163 ARG N N 15 0.0686 0.0012 . . . . . . . 27646 1 133 . 1 1 164 164 GLU N N 15 0.0648 0.0031 . . . . . . . 27646 1 134 . 1 1 165 165 ILE N N 15 0.0753 0.0006 . . . . . . . 27646 1 135 . 1 1 166 166 ARG N N 15 0.0693 0.0036 . . . . . . . 27646 1 136 . 1 1 168 168 HIS N N 15 0.0608 0.0021 . . . . . . . 27646 1 137 . 1 1 169 169 LYS N N 15 0.0783 0.0017 . . . . . . . 27646 1 138 . 1 1 171 171 LYS N N 15 0.2045 0.0034 . . . . . . . 27646 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 27646 _Order_parameter_list.ID 1 _Order_parameter_list.Name . _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units s _Order_parameter_list.Tau_f_val_units s _Order_parameter_list.Tau_s_val_units s _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 8 '2D 1H-15N HSQC' 2 $sample_2 . 27646 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 1 $TOPSPIN . . 27646 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 4 4 THR N N 15 0.531 0.034 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 2 . 1 1 5 5 GLU N N 15 0.834 0.02 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 3 . 1 1 6 6 TYR N N 15 0.863 0.008 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 4 . 1 1 7 7 LYS N N 15 0.799 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 5 . 1 1 8 8 LEU N N 15 0.869 0.025 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 6 . 1 1 10 10 VAL N N 15 0.822 0.033 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 7 . 1 1 11 11 VAL N N 15 0.885 0.024 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 8 . 1 1 12 12 GLY N N 15 0.869 0.043 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 9 . 1 1 13 13 ALA N N 15 0.831 0.009 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 10 . 1 1 14 14 CYS N N 15 0.898 0.032 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 11 . 1 1 15 15 GLY N N 15 0.771 0.043 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 12 . 1 1 16 16 VAL N N 15 0.832 0.029 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 13 . 1 1 17 17 GLY N N 15 0.982 0.033 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 14 . 1 1 18 18 LYS N N 15 0.84 0.021 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 15 . 1 1 19 19 SER N N 15 0.903 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 16 . 1 1 20 20 ALA N N 15 0.823 0.026 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 17 . 1 1 21 21 LEU N N 15 0.891 0.02 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 18 . 1 1 22 22 THR N N 15 0.843 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 19 . 1 1 23 23 ILE N N 15 0.873 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 20 . 1 1 24 24 GLN N N 15 0.97 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 21 . 1 1 25 25 LEU N N 15 0.863 0.027 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 22 . 1 1 26 26 ILE N N 15 0.831 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 23 . 1 1 27 27 GLN N N 15 0.885 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 24 . 1 1 28 28 ASN N N 15 0.826 0.026 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 25 . 1 1 29 29 HIS N N 15 0.908 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 26 . 1 1 30 30 PHE N N 15 0.856 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 27 . 1 1 31 31 VAL N N 15 0.82 0.045 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 28 . 1 1 32 32 ASP N N 15 0.934 0.104 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 29 . 1 1 33 33 GLU N N 15 0.811 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 30 . 1 1 34 34 TYR N N 15 0.814 0.038 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 31 . 1 1 35 35 ASP N N 15 0.75 0.038 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 32 . 1 1 37 37 THR N N 15 0.964 0.053 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 33 . 1 1 38 38 ILE N N 15 0.872 0.04 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 34 . 1 1 39 39 GLU N N 15 0.879 0.045 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 35 . 1 1 40 40 ASP N N 15 0.905 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 36 . 1 1 41 41 SER N N 15 0.841 0.027 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 37 . 1 1 42 42 TYR N N 15 0.834 0.026 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 38 . 1 1 43 43 ARG N N 15 0.781 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 39 . 1 1 44 44 LYS N N 15 0.815 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 40 . 1 1 45 45 GLN N N 15 0.866 0.01 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 41 . 1 1 46 46 VAL N N 15 0.884 0.013 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 42 . 1 1 48 48 ILE N N 15 0.771 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 43 . 1 1 50 50 GLY N N 15 0.703 0.04 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 44 . 1 1 51 51 GLU N N 15 0.785 0.03 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 45 . 1 1 52 52 THR N N 15 0.779 0.035 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 46 . 1 1 53 53 CYS N N 15 0.857 0.025 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 47 . 1 1 54 54 LEU N N 15 0.807 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 48 . 1 1 56 56 ASP N N 15 0.805 0.009 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 49 . 1 1 57 57 ILE N N 15 0.831 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 50 . 1 1 58 58 LEU N N 15 0.891 0.023 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 51 . 1 1 59 59 ASP N N 15 0.959 0.035 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 52 . 1 1 60 60 THR N N 15 0.833 0.026 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 53 . 1 1 61 61 ALA N N 15 0.827 0.023 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 54 . 1 1 62 62 GLY N N 15 0.649 0.055 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 55 . 1 1 63 63 GLN N N 15 0.65 0.062 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 56 . 1 1 64 64 GLU N N 15 0.851 0.063 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 57 . 1 1 65 65 GLU N N 15 0.828 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 58 . 1 1 66 66 TYR N N 15 0.825 0.017 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 59 . 1 1 69 69 MET N N 15 0.876 0.044 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 60 . 1 1 70 70 ARG N N 15 0.919 0.037 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 61 . 1 1 71 71 ASP N N 15 0.954 0.021 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 62 . 1 1 72 72 GLN N N 15 0.894 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 63 . 1 1 73 73 TYR N N 15 0.909 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 64 . 1 1 74 74 MET N N 15 0.898 0.036 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 65 . 1 1 75 75 ARG N N 15 0.912 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 66 . 1 1 76 76 THR N N 15 0.892 0.023 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 67 . 1 1 77 77 GLY N N 15 1 0.023 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 68 . 1 1 78 78 GLU N N 15 0.884 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 69 . 1 1 80 80 PHE N N 15 0.821 0.04 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 70 . 1 1 81 81 LEU N N 15 0.851 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 71 . 1 1 82 82 CYS N N 15 0.77 0.019 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 72 . 1 1 84 84 PHE N N 15 0.851 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 73 . 1 1 85 85 ALA N N 15 0.847 0.021 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 74 . 1 1 86 86 ILE N N 15 0.855 0.025 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 75 . 1 1 87 87 ASN N N 15 0.891 0.019 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 76 . 1 1 88 88 ASN N N 15 0.942 0.02 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 77 . 1 1 90 90 LYS N N 15 0.917 0.032 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 78 . 1 1 91 91 SER N N 15 0.804 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 79 . 1 1 92 92 PHE N N 15 0.83 0.017 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 80 . 1 1 93 93 GLU N N 15 0.857 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 81 . 1 1 94 94 ASP N N 15 0.828 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 82 . 1 1 95 95 ILE N N 15 0.944 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 83 . 1 1 96 96 HIS N N 15 0.86 0.043 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 84 . 1 1 97 97 HIS N N 15 0.893 0.047 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 85 . 1 1 98 98 TYR N N 15 0.924 0.027 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 86 . 1 1 99 99 ARG N N 15 0.824 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 87 . 1 1 100 100 GLU N N 15 0.87 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 88 . 1 1 101 101 GLN N N 15 0.649 0.036 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 89 . 1 1 102 102 ILE N N 15 0.89 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 90 . 1 1 103 103 LYS N N 15 0.891 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 91 . 1 1 104 104 ARG N N 15 0.886 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 92 . 1 1 105 105 VAL N N 15 0.836 0.024 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 93 . 1 1 106 106 LYS N N 15 0.868 0.017 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 94 . 1 1 107 107 ASP N N 15 0.872 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 95 . 1 1 108 108 SER N N 15 0.853 0.017 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 96 . 1 1 109 109 GLU N N 15 0.742 0.039 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 97 . 1 1 110 110 ASP N N 15 0.672 0.042 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 98 . 1 1 111 111 VAL N N 15 0.53 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 99 . 1 1 113 113 MET N N 15 0.726 0.039 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 100 . 1 1 114 114 VAL N N 15 0.833 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 101 . 1 1 115 115 LEU N N 15 0.922 0.018 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 102 . 1 1 116 116 VAL N N 15 0.91 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 103 . 1 1 117 117 GLY N N 15 0.829 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 104 . 1 1 118 118 ASN N N 15 0.861 0.008 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 105 . 1 1 119 119 LYS N N 15 0.875 0.056 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 106 . 1 1 120 120 CYS N N 15 0.858 0.03 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 107 . 1 1 121 121 ASP N N 15 0.916 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 108 . 1 1 122 122 LEU N N 15 0.869 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 109 . 1 1 124 124 SER N N 15 0.611 0.025 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 110 . 1 1 125 125 ARG N N 15 0.701 0.024 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 111 . 1 1 126 126 THR N N 15 0.878 0.045 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 112 . 1 1 127 127 VAL N N 15 0.819 0.035 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 113 . 1 1 128 128 ASP N N 15 0.855 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 114 . 1 1 129 129 THR N N 15 0.827 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 115 . 1 1 130 130 LYS N N 15 0.847 0.02 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 116 . 1 1 131 131 GLN N N 15 0.844 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 117 . 1 1 132 132 ALA N N 15 0.865 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 118 . 1 1 133 133 GLN N N 15 0.861 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 119 . 1 1 134 134 ASP N N 15 0.85 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 120 . 1 1 135 135 LEU N N 15 0.884 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 121 . 1 1 136 136 ALA N N 15 0.925 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 122 . 1 1 137 137 ARG N N 15 0.829 0.013 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 123 . 1 1 138 138 SER N N 15 0.827 0.03 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 124 . 1 1 139 139 TYR N N 15 0.805 0.031 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 125 . 1 1 140 140 GLY N N 15 0.808 0.019 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 126 . 1 1 141 141 ILE N N 15 0.889 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 127 . 1 1 143 143 PHE N N 15 0.814 0.013 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 128 . 1 1 144 144 ILE N N 15 0.864 0.019 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 129 . 1 1 145 145 GLU N N 15 0.756 0.027 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 130 . 1 1 146 146 THR N N 15 0.877 0.033 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 131 . 1 1 147 147 SER N N 15 0.804 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 132 . 1 1 148 148 ALA N N 15 0.873 0.006 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 133 . 1 1 149 149 LYS N N 15 0.847 0.036 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 134 . 1 1 150 150 THR N N 15 0.822 0.034 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 135 . 1 1 151 151 ARG N N 15 0.652 0.029 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 136 . 1 1 152 152 GLN N N 15 0.742 0.016 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 137 . 1 1 153 153 GLY N N 15 0.915 0.029 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 138 . 1 1 154 154 VAL N N 15 0.918 0.008 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 139 . 1 1 155 155 ASP N N 15 0.89 0.028 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 140 . 1 1 156 156 ASP N N 15 0.809 0.009 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 141 . 1 1 157 157 ALA N N 15 0.903 0.019 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 142 . 1 1 158 158 PHE N N 15 0.834 0.004 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 143 . 1 1 159 159 TYR N N 15 0.87 0.022 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 144 . 1 1 160 160 THR N N 15 0.808 0.014 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 145 . 1 1 161 161 LEU N N 15 0.919 0.012 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 146 . 1 1 162 162 VAL N N 15 0.824 0.026 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 147 . 1 1 163 163 ARG N N 15 0.887 0.013 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 148 . 1 1 164 164 GLU N N 15 0.883 0.021 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 149 . 1 1 165 165 ILE N N 15 0.821 0.007 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 150 . 1 1 166 166 ARG N N 15 0.877 0.006 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 151 . 1 1 167 167 LYS N N 15 0.879 0.015 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 152 . 1 1 168 168 HIS N N 15 0.975 0.011 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 153 . 1 1 169 169 LYS N N 15 0.772 0.02 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 154 . 1 1 170 170 GLU N N 15 0.65 0.047 . . . . . . . . . . . . . . . . . . . . . . . 27646 1 stop_ save_