data_27876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27876 _Entry.Title ; NMR resonance assignment for the GSPII-C domain of PilF from Thermus thermophilus in complex with c-di-GMP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-10 _Entry.Accession_date 2019-04-10 _Entry.Last_release_date 2019-04-10 _Entry.Original_release_date 2019-04-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Heiko Keller . . . . 27876 2 Elke Duchardt-Ferner . . . . 27876 3 Jens Woehnert . . . . 27876 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Goethe University Frankfurt' . 27876 2 . 'BMRZ, Frankfurt' . 27876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 27876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 858 27876 '15N chemical shifts' 178 27876 '1H chemical shifts' 1370 27876 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-01-10 2019-04-10 update BMRB 'update entry citation' 27876 1 . . 2019-08-14 2019-04-10 original author 'original release' 27876 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27876 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31372934 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments for the GSPII-C domain of the PilF ATPase from Thermus thermophilus in complex with c-di-GMP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 361 _Citation.Page_last 366 _Citation.Year 2019 _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 Heiko Keller . . . . 27876 1 2 Kerstin Kruse . . . . 27876 1 3 Beate Averhoff . . . . 27876 1 4 Elke Duchardt-Ferner . . . . 27876 1 5 Jens Woehnert . . . . 27876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27876 _Assembly.ID 1 _Assembly.Name 'PilF 294-482 + c-di-GMP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21913 _Assembly.Enzyme_commission_number . _Assembly.Details 'ligand bound complex' _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 'PilF 294-482' 1 $PilF_294-482 A . yes native no no . . . 27876 1 2 c-di-GMP 2 $entity_C2E B . yes native no no . ligand . 27876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilF_294-482 _Entity.Sf_category entity _Entity.Sf_framecode PilF_294-482 _Entity.Entry_ID 27876 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilF_294-482 _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 ; GSLFRRAYPQKNRLGEVLVQ EGKLSREALKEALEVQKGLP RAKPLGEILVELGLARPEDV EEALQKQRRGGGRLEDTLVQ SGKLRPEALAQAVATQLGYP YVDPEEDPPDPGAPLLLPED LCRRYGVFPHRLEGNRLVLL MKDPRNILALDDVRLALKRK GLNYEVAPAVATEAAITKLI ERFYGKAELSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native tag remaining from TEV cleavage.' _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 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PilF GSPII-C domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21223 _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 . GLY . 27876 1 2 . SER . 27876 1 3 . LEU . 27876 1 4 . PHE . 27876 1 5 . ARG . 27876 1 6 . ARG . 27876 1 7 . ALA . 27876 1 8 . TYR . 27876 1 9 . PRO . 27876 1 10 . GLN . 27876 1 11 . LYS . 27876 1 12 . ASN . 27876 1 13 . ARG . 27876 1 14 . LEU . 27876 1 15 . GLY . 27876 1 16 . GLU . 27876 1 17 . VAL . 27876 1 18 . LEU . 27876 1 19 . VAL . 27876 1 20 . GLN . 27876 1 21 . GLU . 27876 1 22 . GLY . 27876 1 23 . LYS . 27876 1 24 . LEU . 27876 1 25 . SER . 27876 1 26 . ARG . 27876 1 27 . GLU . 27876 1 28 . ALA . 27876 1 29 . LEU . 27876 1 30 . LYS . 27876 1 31 . GLU . 27876 1 32 . ALA . 27876 1 33 . LEU . 27876 1 34 . GLU . 27876 1 35 . VAL . 27876 1 36 . GLN . 27876 1 37 . LYS . 27876 1 38 . GLY . 27876 1 39 . LEU . 27876 1 40 . PRO . 27876 1 41 . ARG . 27876 1 42 . ALA . 27876 1 43 . LYS . 27876 1 44 . PRO . 27876 1 45 . LEU . 27876 1 46 . GLY . 27876 1 47 . GLU . 27876 1 48 . ILE . 27876 1 49 . LEU . 27876 1 50 . VAL . 27876 1 51 . GLU . 27876 1 52 . LEU . 27876 1 53 . GLY . 27876 1 54 . LEU . 27876 1 55 . ALA . 27876 1 56 . ARG . 27876 1 57 . PRO . 27876 1 58 . GLU . 27876 1 59 . ASP . 27876 1 60 . VAL . 27876 1 61 . GLU . 27876 1 62 . GLU . 27876 1 63 . ALA . 27876 1 64 . LEU . 27876 1 65 . GLN . 27876 1 66 . LYS . 27876 1 67 . GLN . 27876 1 68 . ARG . 27876 1 69 . ARG . 27876 1 70 . GLY . 27876 1 71 . GLY . 27876 1 72 . GLY . 27876 1 73 . ARG . 27876 1 74 . LEU . 27876 1 75 . GLU . 27876 1 76 . ASP . 27876 1 77 . THR . 27876 1 78 . LEU . 27876 1 79 . VAL . 27876 1 80 . GLN . 27876 1 81 . SER . 27876 1 82 . GLY . 27876 1 83 . LYS . 27876 1 84 . LEU . 27876 1 85 . ARG . 27876 1 86 . PRO . 27876 1 87 . GLU . 27876 1 88 . ALA . 27876 1 89 . LEU . 27876 1 90 . ALA . 27876 1 91 . GLN . 27876 1 92 . ALA . 27876 1 93 . VAL . 27876 1 94 . ALA . 27876 1 95 . THR . 27876 1 96 . GLN . 27876 1 97 . LEU . 27876 1 98 . GLY . 27876 1 99 . TYR . 27876 1 100 . PRO . 27876 1 101 . TYR . 27876 1 102 . VAL . 27876 1 103 . ASP . 27876 1 104 . PRO . 27876 1 105 . GLU . 27876 1 106 . GLU . 27876 1 107 . ASP . 27876 1 108 . PRO . 27876 1 109 . PRO . 27876 1 110 . ASP . 27876 1 111 . PRO . 27876 1 112 . GLY . 27876 1 113 . ALA . 27876 1 114 . PRO . 27876 1 115 . LEU . 27876 1 116 . LEU . 27876 1 117 . LEU . 27876 1 118 . PRO . 27876 1 119 . GLU . 27876 1 120 . ASP . 27876 1 121 . LEU . 27876 1 122 . CYS . 27876 1 123 . ARG . 27876 1 124 . ARG . 27876 1 125 . TYR . 27876 1 126 . GLY . 27876 1 127 . VAL . 27876 1 128 . PHE . 27876 1 129 . PRO . 27876 1 130 . HIS . 27876 1 131 . ARG . 27876 1 132 . LEU . 27876 1 133 . GLU . 27876 1 134 . GLY . 27876 1 135 . ASN . 27876 1 136 . ARG . 27876 1 137 . LEU . 27876 1 138 . VAL . 27876 1 139 . LEU . 27876 1 140 . LEU . 27876 1 141 . MET . 27876 1 142 . LYS . 27876 1 143 . ASP . 27876 1 144 . PRO . 27876 1 145 . ARG . 27876 1 146 . ASN . 27876 1 147 . ILE . 27876 1 148 . LEU . 27876 1 149 . ALA . 27876 1 150 . LEU . 27876 1 151 . ASP . 27876 1 152 . ASP . 27876 1 153 . VAL . 27876 1 154 . ARG . 27876 1 155 . LEU . 27876 1 156 . ALA . 27876 1 157 . LEU . 27876 1 158 . LYS . 27876 1 159 . ARG . 27876 1 160 . LYS . 27876 1 161 . GLY . 27876 1 162 . LEU . 27876 1 163 . ASN . 27876 1 164 . TYR . 27876 1 165 . GLU . 27876 1 166 . VAL . 27876 1 167 . ALA . 27876 1 168 . PRO . 27876 1 169 . ALA . 27876 1 170 . VAL . 27876 1 171 . ALA . 27876 1 172 . THR . 27876 1 173 . GLU . 27876 1 174 . ALA . 27876 1 175 . ALA . 27876 1 176 . ILE . 27876 1 177 . THR . 27876 1 178 . LYS . 27876 1 179 . LEU . 27876 1 180 . ILE . 27876 1 181 . GLU . 27876 1 182 . ARG . 27876 1 183 . PHE . 27876 1 184 . TYR . 27876 1 185 . GLY . 27876 1 186 . LYS . 27876 1 187 . ALA . 27876 1 188 . GLU . 27876 1 189 . LEU . 27876 1 190 . SER . 27876 1 191 . GLU . 27876 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 27876 1 . SER 2 2 27876 1 . LEU 3 3 27876 1 . PHE 4 4 27876 1 . ARG 5 5 27876 1 . ARG 6 6 27876 1 . ALA 7 7 27876 1 . TYR 8 8 27876 1 . PRO 9 9 27876 1 . GLN 10 10 27876 1 . LYS 11 11 27876 1 . ASN 12 12 27876 1 . ARG 13 13 27876 1 . LEU 14 14 27876 1 . GLY 15 15 27876 1 . GLU 16 16 27876 1 . VAL 17 17 27876 1 . LEU 18 18 27876 1 . VAL 19 19 27876 1 . GLN 20 20 27876 1 . GLU 21 21 27876 1 . GLY 22 22 27876 1 . LYS 23 23 27876 1 . LEU 24 24 27876 1 . SER 25 25 27876 1 . ARG 26 26 27876 1 . GLU 27 27 27876 1 . ALA 28 28 27876 1 . LEU 29 29 27876 1 . LYS 30 30 27876 1 . GLU 31 31 27876 1 . ALA 32 32 27876 1 . LEU 33 33 27876 1 . GLU 34 34 27876 1 . VAL 35 35 27876 1 . GLN 36 36 27876 1 . LYS 37 37 27876 1 . GLY 38 38 27876 1 . LEU 39 39 27876 1 . PRO 40 40 27876 1 . ARG 41 41 27876 1 . ALA 42 42 27876 1 . LYS 43 43 27876 1 . PRO 44 44 27876 1 . LEU 45 45 27876 1 . GLY 46 46 27876 1 . GLU 47 47 27876 1 . ILE 48 48 27876 1 . LEU 49 49 27876 1 . VAL 50 50 27876 1 . GLU 51 51 27876 1 . LEU 52 52 27876 1 . GLY 53 53 27876 1 . LEU 54 54 27876 1 . ALA 55 55 27876 1 . ARG 56 56 27876 1 . PRO 57 57 27876 1 . GLU 58 58 27876 1 . ASP 59 59 27876 1 . VAL 60 60 27876 1 . GLU 61 61 27876 1 . GLU 62 62 27876 1 . ALA 63 63 27876 1 . LEU 64 64 27876 1 . GLN 65 65 27876 1 . LYS 66 66 27876 1 . GLN 67 67 27876 1 . ARG 68 68 27876 1 . ARG 69 69 27876 1 . GLY 70 70 27876 1 . GLY 71 71 27876 1 . GLY 72 72 27876 1 . ARG 73 73 27876 1 . LEU 74 74 27876 1 . GLU 75 75 27876 1 . ASP 76 76 27876 1 . THR 77 77 27876 1 . LEU 78 78 27876 1 . VAL 79 79 27876 1 . GLN 80 80 27876 1 . SER 81 81 27876 1 . GLY 82 82 27876 1 . LYS 83 83 27876 1 . LEU 84 84 27876 1 . ARG 85 85 27876 1 . PRO 86 86 27876 1 . GLU 87 87 27876 1 . ALA 88 88 27876 1 . LEU 89 89 27876 1 . ALA 90 90 27876 1 . GLN 91 91 27876 1 . ALA 92 92 27876 1 . VAL 93 93 27876 1 . ALA 94 94 27876 1 . THR 95 95 27876 1 . GLN 96 96 27876 1 . LEU 97 97 27876 1 . GLY 98 98 27876 1 . TYR 99 99 27876 1 . PRO 100 100 27876 1 . TYR 101 101 27876 1 . VAL 102 102 27876 1 . ASP 103 103 27876 1 . PRO 104 104 27876 1 . GLU 105 105 27876 1 . GLU 106 106 27876 1 . ASP 107 107 27876 1 . PRO 108 108 27876 1 . PRO 109 109 27876 1 . ASP 110 110 27876 1 . PRO 111 111 27876 1 . GLY 112 112 27876 1 . ALA 113 113 27876 1 . PRO 114 114 27876 1 . LEU 115 115 27876 1 . LEU 116 116 27876 1 . LEU 117 117 27876 1 . PRO 118 118 27876 1 . GLU 119 119 27876 1 . ASP 120 120 27876 1 . LEU 121 121 27876 1 . CYS 122 122 27876 1 . ARG 123 123 27876 1 . ARG 124 124 27876 1 . TYR 125 125 27876 1 . GLY 126 126 27876 1 . VAL 127 127 27876 1 . PHE 128 128 27876 1 . PRO 129 129 27876 1 . HIS 130 130 27876 1 . ARG 131 131 27876 1 . LEU 132 132 27876 1 . GLU 133 133 27876 1 . GLY 134 134 27876 1 . ASN 135 135 27876 1 . ARG 136 136 27876 1 . LEU 137 137 27876 1 . VAL 138 138 27876 1 . LEU 139 139 27876 1 . LEU 140 140 27876 1 . MET 141 141 27876 1 . LYS 142 142 27876 1 . ASP 143 143 27876 1 . PRO 144 144 27876 1 . ARG 145 145 27876 1 . ASN 146 146 27876 1 . ILE 147 147 27876 1 . LEU 148 148 27876 1 . ALA 149 149 27876 1 . LEU 150 150 27876 1 . ASP 151 151 27876 1 . ASP 152 152 27876 1 . VAL 153 153 27876 1 . ARG 154 154 27876 1 . LEU 155 155 27876 1 . ALA 156 156 27876 1 . LEU 157 157 27876 1 . LYS 158 158 27876 1 . ARG 159 159 27876 1 . LYS 160 160 27876 1 . GLY 161 161 27876 1 . LEU 162 162 27876 1 . ASN 163 163 27876 1 . TYR 164 164 27876 1 . GLU 165 165 27876 1 . VAL 166 166 27876 1 . ALA 167 167 27876 1 . PRO 168 168 27876 1 . ALA 169 169 27876 1 . VAL 170 170 27876 1 . ALA 171 171 27876 1 . THR 172 172 27876 1 . GLU 173 173 27876 1 . ALA 174 174 27876 1 . ALA 175 175 27876 1 . ILE 176 176 27876 1 . THR 177 177 27876 1 . LYS 178 178 27876 1 . LEU 179 179 27876 1 . ILE 180 180 27876 1 . GLU 181 181 27876 1 . ARG 182 182 27876 1 . PHE 183 183 27876 1 . TYR 184 184 27876 1 . GLY 185 185 27876 1 . LYS 186 186 27876 1 . ALA 187 187 27876 1 . GLU 188 188 27876 1 . LEU 189 189 27876 1 . SER 190 190 27876 1 . GLU 191 191 27876 1 stop_ save_ save_entity_C2E _Entity.Sf_category entity _Entity.Sf_framecode entity_C2E _Entity.Entry_ID 27876 _Entity.ID 2 _Entity.BMRB_code C2E _Entity.Name entity_C2E _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 C2E _Entity.Nonpolymer_comp_label $chem_comp_C2E _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 690.411 _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 ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; BMRB 27876 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; BMRB 27876 2 C2E 'Three letter code' 27876 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 C2E $chem_comp_C2E 27876 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27876 _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 $PilF_294-482 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus HB27 . . . . . . . . . . pilF . 27876 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 27876 _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 $PilF_294-482 . 'recombinant technology' 'Thermus thermophilus' . . . Thermus thermophilus HB27 . . . . . pET-11a . . . 27876 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_C2E _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_C2E _Chem_comp.Entry_ID 27876 _Chem_comp.ID C2E _Chem_comp.Provenance PDB _Chem_comp.Name ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code C2E _Chem_comp.PDB_code C2E _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 C2E _Chem_comp.Number_atoms_all 70 _Chem_comp.Number_atoms_nh 46 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'c-di-GMP, Cyclic diguanosine monophosphate' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H24 N10 O14 P2' _Chem_comp.Formula_weight 690.411 _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 2RDE _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/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 ; InChI InChI 1.03 27876 C2E NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5CO[P](O)(=O)O[C@H]4[C@H]3O)n6cnc7C(=O)NC(=Nc67)N SMILES_CANONICAL CACTVS 3.352 27876 C2E NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3O)n6cnc7C(=O)NC(=Nc67)N SMILES CACTVS 3.352 27876 C2E O=C7NC(=Nc1c7ncn1C6OC5COP(=O)(OC4C(OC(n2c3N=C(N)NC(=O)c3nc2)C4O)COP(=O)(O)OC5C6O)O)N SMILES ACDLabs 11.02 27876 C2E PKFDLKSEZWEFGL-MHARETSRSA-N InChIKey InChI 1.03 27876 C2E c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)(O4)O)OC(C5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.7.0 27876 C2E ; c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N ; SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 27876 C2E 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 ; 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) ; 'SYSTEMATIC NAME' ACDLabs 11.02 27876 C2E 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 P1 P1 P1 P1 . P . . N 0 . . . 1 no no . . . . 2.904 . -21.000 . -7.328 . 0.818 2.310 0.549 1 . 27876 C2E O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 2.614 . -20.463 . -5.950 . 1.042 2.707 -0.994 2 . 27876 C2E O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 2.870 . -22.498 . -7.405 . 0.594 3.536 1.347 3 . 27876 C2E O5' O5' O5' O5' . O . . N 0 . . . 1 no no . . . . 1.861 . -20.471 . -8.398 . -0.465 1.347 0.674 4 . 27876 C2E C5' C5' C5' C5' . C . . N 0 . . . 1 no no . . . . 1.971 . -20.901 . -9.750 . -1.805 1.794 0.465 5 . 27876 C2E C4' C4' C4' C4' . C . . R 0 . . . 1 no no . . . . 0.899 . -20.225 . -10.577 . -2.785 0.799 1.090 6 . 27876 C2E O4' O4' O4' O4' . O . . N 0 . . . 1 no no . . . . -0.389 . -20.452 . -9.994 . -4.110 1.332 1.035 7 . 27876 C2E C3' C3' C3' C3' . C . . S 0 . . . 1 no no . . . . 1.063 . -18.717 . -10.636 . -2.778 -0.516 0.295 8 . 27876 C2E O3' O3' O3' O3' . O . . N 0 . . . 1 no no . . . . 2.000 . -18.334 . -11.654 . -2.127 -1.548 1.040 9 . 27876 C2E C2' C2' C2' C2' . C . . R 0 . . . 1 no no . . . . -0.350 . -18.292 . -10.868 . -4.264 -0.862 0.085 10 . 27876 C2E O2' O2' O2' O2' . O . . N 0 . . . 1 no no . . . . -0.626 . -18.346 . -12.271 . -4.576 -2.109 0.709 11 . 27876 C2E C1' C1' C1' C1' . C . . R 0 . . . 1 no no . . . . -1.212 . -19.291 . -10.119 . -5.039 0.281 0.760 12 . 27876 C2E N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . -1.507 . -18.784 . -8.781 . -6.089 0.768 -0.139 13 . 27876 C2E C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -1.074 . -19.304 . -7.629 . -5.990 1.824 -0.998 14 . 27876 C2E N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . -1.523 . -18.591 . -6.578 . -7.110 1.975 -1.641 15 . 27876 C2E C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -2.263 . -17.593 . -7.067 . -7.992 1.029 -1.236 16 . 27876 C2E C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -3.030 . -16.469 . -6.501 . -9.327 0.715 -1.580 17 . 27876 C2E O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . -3.091 . -16.295 . -5.263 . -9.927 1.369 -2.416 18 . 27876 C2E N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -3.665 . -15.645 . -7.344 . -9.922 -0.328 -0.959 19 . 27876 C2E C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -3.615 . -15.816 . -8.681 . -9.241 -1.052 -0.026 20 . 27876 C2E N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . -4.278 . -14.952 . -9.485 . -9.870 -2.106 0.588 21 . 27876 C2E N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . -2.924 . -16.831 . -9.266 . -8.000 -0.771 0.302 22 . 27876 C2E C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -2.242 . -17.727 . -8.519 . -7.345 0.244 -0.275 23 . 27876 C2E P11 P11 P11 P11 . P . . N 0 . . . 1 no no . . . . 2.786 . -17.024 . -11.195 . -0.797 -2.300 0.531 24 . 27876 C2E O21 O21 O21 O21 . O . . N 0 . . . 1 no no . . . . 1.787 . -15.967 . -10.842 . -0.918 -2.593 -1.048 25 . 27876 C2E O11 O11 O11 O11 . O . . N 0 . . . 1 no no . . . . 3.645 . -16.587 . -12.339 . -0.645 -3.580 1.259 26 . 27876 C2E O5A O5A O5A O5A . O . . N 0 . . . 1 no no . . . . 3.695 . -17.385 . -9.945 . 0.488 -1.371 0.807 27 . 27876 C2E C5A C5A C5A C5A . C . . N 0 . . . 1 no no . . . . 4.726 . -18.365 . -10.103 . 1.830 -1.807 0.588 28 . 27876 C2E C4A C4A C4A C4A . C . . R 0 . . . 1 no no . . . . 5.447 . -18.579 . -8.792 . 2.809 -0.796 1.189 29 . 27876 C2E O4A O4A O4A O4A . O . . N 0 . . . 1 no no . . . . 6.015 . -17.354 . -8.279 . 4.138 -1.319 1.133 30 . 27876 C2E C3A C3A C3A C3A . C . . S 0 . . . 1 no no . . . . 4.537 . -19.101 . -7.690 . 2.785 0.505 0.373 31 . 27876 C2E O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 4.390 . -20.532 . -7.761 . 2.122 1.542 1.101 32 . 27876 C2E C2A C2A C2A C2A . C . . R 0 . . . 1 no no . . . . 5.239 . -18.621 . -6.460 . 4.267 0.869 0.161 33 . 27876 C2E O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 6.209 . -19.604 . -6.062 . 4.568 2.114 0.795 34 . 27876 C2E C1A C1A C1A C1A . C . . R 0 . . . 1 no no . . . . 5.915 . -17.310 . -6.851 . 5.057 -0.271 0.822 35 . 27876 C2E N91 N91 N91 N91 . N . . N 0 . . . 1 yes no . . . . 5.066 . -16.178 . -6.432 . 6.081 -0.766 -0.102 36 . 27876 C2E C81 C81 C81 C81 . C . . N 0 . . . 1 yes no . . . . 4.215 . -15.478 . -7.209 . 5.955 -1.826 -0.953 37 . 27876 C2E N71 N71 N71 N71 . N . . N 0 . . . 1 yes no . . . . 3.584 . -14.516 . -6.498 . 7.057 -1.984 -1.625 38 . 27876 C2E C51 C51 C51 C51 . C . . N 0 . . . 1 yes no . . . . 4.032 . -14.594 . -5.236 . 7.953 -1.039 -1.249 39 . 27876 C2E C61 C61 C61 C61 . C . . N 0 . . . 1 no no . . . . 3.784 . -13.882 . -3.970 . 9.280 -0.731 -1.630 40 . 27876 C2E O61 O61 O61 O61 . O . . N 0 . . . 1 no no . . . . 2.968 . -12.941 . -3.892 . 9.855 -1.391 -2.479 41 . 27876 C2E N11 N11 N11 N11 . N . . N 0 . . . 1 no no . . . . 4.459 . -14.276 . -2.885 . 9.894 0.313 -1.031 42 . 27876 C2E C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . 5.352 . -15.291 . -2.919 . 9.241 1.044 -0.084 43 . 27876 C2E N21 N21 N21 N21 . N . . N 0 . . . 1 no no . . . . 6.000 . -15.627 . -1.778 . 9.890 2.099 0.507 44 . 27876 C2E N31 N31 N31 N31 . N . . N 0 . . . 1 no no . . . . 5.624 . -15.989 . -4.046 . 8.009 0.768 0.279 45 . 27876 C2E C41 C41 C41 C41 . C . . N 0 . . . 1 yes no . . . . 5.008 . -15.685 . -5.212 . 7.335 -0.246 -0.275 46 . 27876 C2E HO2P HO2P HO2P HO2P . H . . N 0 . . . 0 no no . . . . 2.456 . -21.186 . -5.355 . 0.295 3.174 -1.393 47 . 27876 C2E H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 no no . . . . 2.963 . -20.632 . -10.142 . -1.937 2.772 0.929 48 . 27876 C2E H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 no no . . . . 1.842 . -21.992 . -9.801 . -2.000 1.871 -0.604 49 . 27876 C2E H4' H4' H4' H4' . H . . N 0 . . . 1 no no . . . . 0.991 . -20.653 . -11.586 . -2.507 0.607 2.125 50 . 27876 C2E H3' H3' H3' H3' . H . . N 0 . . . 1 no no . . . . 1.496 . -18.240 . -9.745 . -2.284 -0.379 -0.669 51 . 27876 C2E H2' H2' H2' H2' . H . . N 0 . . . 1 no no . . . . -0.543 . -17.266 . -10.521 . -4.497 -0.902 -0.979 52 . 27876 C2E HO2' HO2' HO2' HO2' . H . . N 0 . . . 0 no no . . . . -1.523 . -18.077 . -12.428 . -5.500 -2.378 0.609 53 . 27876 C2E H1' H1' H1' H1' . H . . N 0 . . . 1 no no . . . . -2.164 . -19.486 . -10.634 . -5.484 -0.072 1.690 54 . 27876 C2E H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -0.447 . -20.180 . -7.551 . -5.113 2.442 -1.124 55 . 27876 C2E HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -4.192 . -14.881 . -6.972 . -10.837 -0.563 -1.179 56 . 27876 C2E HN21 HN21 HN21 HN21 . H . . N 0 . . . 0 no no . . . . -4.250 . -15.071 . -10.478 . -10.786 -2.326 0.356 57 . 27876 C2E HN22 HN22 HN22 HN22 . H . . N 0 . . . 0 no no . . . . -4.796 . -14.195 . -9.086 . -9.399 -2.631 1.254 58 . 27876 C2E HO21 HO21 HO21 HO21 . H . . N 0 . . . 0 no no . . . . 1.897 . -15.221 . -11.420 . -0.151 -3.046 -1.424 59 . 27876 C2E H511 H511 H511 H511 . H . . N 0 . . . 0 no no . . . . 4.277 . -19.315 . -10.429 . 1.977 -2.778 1.060 60 . 27876 C2E H512 H512 H512 H512 . H . . N 0 . . . 0 no no . . . . 5.445 . -18.016 . -10.859 . 2.013 -1.895 -0.483 61 . 27876 C2E H4A H4A H4A H4A . H . . N 0 . . . 1 no no . . . . 6.226 . -19.317 . -9.034 . 2.539 -0.587 2.223 62 . 27876 C2E H3A H3A H3A H3A . H . . N 0 . . . 1 no no . . . . 3.497 . -18.746 . -7.743 . 2.298 0.345 -0.591 63 . 27876 C2E H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 4.554 . -18.467 . -5.613 . 4.496 0.921 -0.903 64 . 27876 C2E HO2A HO2A HO2A HO2A . H . . N 0 . . . 0 no no . . . . 6.660 . -19.306 . -5.281 . 5.488 2.394 0.695 65 . 27876 C2E H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . 6.899 . -17.183 . -6.377 . 5.530 0.089 1.736 66 . 27876 C2E H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 4.058 . -15.662 . -8.262 . 5.073 -2.441 -1.052 67 . 27876 C2E HN11 HN11 HN11 HN11 . H . . N 0 . . . 0 no no . . . . 4.298 . -13.804 . -2.018 . 10.804 0.543 -1.276 68 . 27876 C2E HN24 HN24 HN24 HN24 . H . . N 0 . . . 0 no no . . . . 6.662 . -16.376 . -1.781 . 10.800 2.315 0.250 69 . 27876 C2E HN23 HN23 HN23 HN23 . H . . N 0 . . . 0 no no . . . . 5.816 . -15.126 . -0.932 . 9.439 2.628 1.183 70 . 27876 C2E 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 . SING P1 O2P no N 1 . 27876 C2E 2 . DOUB O1P P1 no N 2 . 27876 C2E 3 . SING O5' P1 no N 3 . 27876 C2E 4 . SING C5' O5' no N 4 . 27876 C2E 5 . SING C4' O4' no N 5 . 27876 C2E 6 . SING C4' C5' no N 6 . 27876 C2E 7 . SING C3' C4' no N 7 . 27876 C2E 8 . SING O3' P11 no N 8 . 27876 C2E 9 . SING O3' C3' no N 9 . 27876 C2E 10 . SING C2' C3' no N 10 . 27876 C2E 11 . SING C2' C1' no N 11 . 27876 C2E 12 . SING O2' C2' no N 12 . 27876 C2E 13 . SING C1' O4' no N 13 . 27876 C2E 14 . SING C1' N9 no N 14 . 27876 C2E 15 . SING N9 C4 yes N 15 . 27876 C2E 16 . SING N9 C8 yes N 16 . 27876 C2E 17 . DOUB C8 N7 yes N 17 . 27876 C2E 18 . SING C5 N7 yes N 18 . 27876 C2E 19 . SING C5 C6 no N 19 . 27876 C2E 20 . DOUB C6 O6 no N 20 . 27876 C2E 21 . SING N1 C6 no N 21 . 27876 C2E 22 . SING C2 N1 no N 22 . 27876 C2E 23 . SING N2 C2 no N 23 . 27876 C2E 24 . DOUB N3 C2 no N 24 . 27876 C2E 25 . SING N3 C4 no N 25 . 27876 C2E 26 . DOUB C4 C5 yes N 26 . 27876 C2E 27 . SING P11 O21 no N 27 . 27876 C2E 28 . SING P11 O5A no N 28 . 27876 C2E 29 . DOUB O11 P11 no N 29 . 27876 C2E 30 . SING C5A O5A no N 30 . 27876 C2E 31 . SING C5A C4A no N 31 . 27876 C2E 32 . SING C4A O4A no N 32 . 27876 C2E 33 . SING C4A C3A no N 33 . 27876 C2E 34 . SING O4A C1A no N 34 . 27876 C2E 35 . SING C3A C2A no N 35 . 27876 C2E 36 . SING O3A C3A no N 36 . 27876 C2E 37 . SING O3A P1 no N 37 . 27876 C2E 38 . SING C2A O2A no N 38 . 27876 C2E 39 . SING C1A C2A no N 39 . 27876 C2E 40 . SING C1A N91 no N 40 . 27876 C2E 41 . SING N91 C41 yes N 41 . 27876 C2E 42 . DOUB C81 N71 yes N 42 . 27876 C2E 43 . SING C81 N91 yes N 43 . 27876 C2E 44 . SING N71 C51 yes N 44 . 27876 C2E 45 . DOUB C51 C41 yes N 45 . 27876 C2E 46 . SING C51 C61 no N 46 . 27876 C2E 47 . DOUB C61 O61 no N 47 . 27876 C2E 48 . SING C61 N11 no N 48 . 27876 C2E 49 . SING C21 N11 no N 49 . 27876 C2E 50 . SING C21 N21 no N 50 . 27876 C2E 51 . DOUB N31 C21 no N 51 . 27876 C2E 52 . SING C41 N31 no N 52 . 27876 C2E 53 . SING O2P HO2P no N 53 . 27876 C2E 54 . SING C5' H5'1 no N 54 . 27876 C2E 55 . SING C5' H5'2 no N 55 . 27876 C2E 56 . SING C4' H4' no N 56 . 27876 C2E 57 . SING C3' H3' no N 57 . 27876 C2E 58 . SING C2' H2' no N 58 . 27876 C2E 59 . SING O2' HO2' no N 59 . 27876 C2E 60 . SING C1' H1' no N 60 . 27876 C2E 61 . SING C8 H8 no N 61 . 27876 C2E 62 . SING N1 HN1 no N 62 . 27876 C2E 63 . SING N2 HN21 no N 63 . 27876 C2E 64 . SING N2 HN22 no N 64 . 27876 C2E 65 . SING O21 HO21 no N 65 . 27876 C2E 66 . SING C5A H511 no N 66 . 27876 C2E 67 . SING C5A H512 no N 67 . 27876 C2E 68 . SING C4A H4A no N 68 . 27876 C2E 69 . SING C3A H3A no N 69 . 27876 C2E 70 . SING C2A H2A no N 70 . 27876 C2E 71 . SING O2A HO2A no N 71 . 27876 C2E 72 . SING C1A H1A no N 72 . 27876 C2E 73 . SING C81 H81 no N 73 . 27876 C2E 74 . SING N11 HN11 no N 74 . 27876 C2E 75 . SING N21 HN24 no N 75 . 27876 C2E 76 . SING N21 HN23 no N 76 . 27876 C2E stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 27876 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' '[U-13C; U-15N]' . . 1 $PilF_294-482 . . 483 . . uM . . . . 27876 1 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 725 . . uM . . . . 27876 1 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 1 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 1 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 1 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 1 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 27876 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' [U-15N] . . 1 $PilF_294-482 . . 471 . . uM . . . . 27876 2 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 709 . . uM . . . . 27876 2 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 2 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 2 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 2 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 2 stop_ save_ save_15N-Val _Sample.Sf_category sample _Sample.Sf_framecode 15N-Val _Sample.Entry_ID 27876 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' [U-15N]-Val . . 1 $PilF_294-482 . . 148 . . uM . . . . 27876 3 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 222 . . uM . . . . 27876 3 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 3 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 3 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 3 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 3 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 3 stop_ save_ save_15N-Lys _Sample.Sf_category sample _Sample.Sf_framecode 15N-Lys _Sample.Entry_ID 27876 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' [U-15N]-Lys . . 1 $PilF_294-482 . . 238 . . uM . . . . 27876 4 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 348 . . uM . . . . 27876 4 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 4 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 4 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 4 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 4 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 4 stop_ save_ save_13C1-Pro_15N-Arg _Sample.Sf_category sample _Sample.Sf_framecode 13C1-Pro_15N-Arg _Sample.Entry_ID 27876 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' '[U-13C-CO]-Pro [U-15N]-Arg' . . 1 $PilF_294-482 . . 148 . . uM . . . . 27876 5 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 222 . . uM . . . . 27876 5 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 5 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 5 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 5 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 5 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 5 stop_ save_ save_13C5-Pro_15N-Leu_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C5-Pro_15N-Leu_D2O _Sample.Entry_ID 27876 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' '[U-13C; U-15N]-Pro [U-15N]-Leu' . . 1 $PilF_294-482 . . 292 . . uM . . . . 27876 6 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 470 . . uM . . . . 27876 6 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 6 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 6 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 27876 6 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 6 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 6 stop_ save_ save_13C5-Pro_15N-Leu_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C5-Pro_15N-Leu_H2O _Sample.Entry_ID 27876 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' '[U-13C; U-15N]-Pro [U-15N]-Leu' . . 1 $PilF_294-482 . . 83 . . uM . . . . 27876 7 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 125 . . uM . . . . 27876 7 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 7 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 7 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 7 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 7 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 7 stop_ save_ save_13C1-Pro_15N-Tyr _Sample.Sf_category sample _Sample.Sf_framecode 13C1-Pro_15N-Tyr _Sample.Entry_ID 27876 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PilF 294-482' '[U-13C-CO]-Pro [U-15N]-Arg' . . 1 $PilF_294-482 . . 148 . . uM . . . . 27876 8 2 c-di-GMP 'natural abundance' . . 2 $entity_C2E . . 222 . . uM . . . . 27876 8 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 8 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 8 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 8 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 8 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 8 stop_ save_ save_13C15N-c-di-GMP_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-c-di-GMP_H2O _Sample.Entry_ID 27876 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 c-di-GMP '[U-13C; U-15N]' . . 1 $PilF_294-482 . . 400 . . uM . . . . 27876 9 2 'PilF 294-482' 'natural abundance' . . 2 $entity_C2E . . 509 . . uM . . . . 27876 9 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 9 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 9 5 D2O 'natural abundance' . . . . . . 7.5 . . % . . . . 27876 9 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 9 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 9 stop_ save_ save_13C15N-c-di-GMP_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N-c-di-GMP_D2O _Sample.Entry_ID 27876 _Sample.ID 10 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 c-di-GMP '[U-13C; U-15N]' . . 1 $PilF_294-482 . . 400 . . uM . . . . 27876 10 2 'PilF 294-482' 'natural abundance' . . 2 $entity_C2E . . 509 . . uM . . . . 27876 10 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 27876 10 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27876 10 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 27876 10 6 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27876 10 7 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 27876 10 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 27876 _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' 0.2 . M 27876 1 pH 5.8 . pH 27876 1 pressure 1 . atm 27876 1 temperature 318 . K 27876 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27876 _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' . . 27876 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27876 1 . 'data analysis' 27876 1 . processing 27876 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27876 _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' . . 27876 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27876 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 27876 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 27876 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 27876 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 950 _NMR_spectrometer.Entry_ID 27876 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27876 _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 1 600 Bruker Avance . 600 . . . 27876 1 2 700 Bruker Avance . 700 . . . 27876 1 3 800 Bruker Avance . 800 . . . 27876 1 4 950 Bruker Avance . 950 . . . 27876 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 27876 _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 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 2 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 4 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 5 '3D HNCACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 6 '3D HN(CO)CACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 4 $950 . . . . . . . . . . . . . . . . 27876 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 4 $950 . . . . . . . . . . . . . . . . 27876 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 4 $950 . . . . . . . . . . . . . . . . 27876 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N isotropic . . 1 $sample_conditions_1 . . . 4 $950 . . . . . . . . . . . . . . . . 27876 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 9 $13C15N-c-di-GMP_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 18 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 9 $13C15N-c-di-GMP_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 19 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 9 $13C15N-c-di-GMP_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 20 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 10 $13C15N-c-di-GMP_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 27876 1 21 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 10 $13C15N-c-di-GMP_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 27876 1 22 '3D HCCH-COSY' no . . . . . . . . . . 10 $13C15N-c-di-GMP_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 27876 1 23 '3D H(C)N' no . . . . . . . . . . 10 $13C15N-c-di-GMP_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 27876 1 24 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N-Val isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 25 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N-Lys isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 26 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $13C1-Pro_15N-Tyr isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 27 '1D H(NCO)' no . . . . . . . . . . 8 $13C1-Pro_15N-Tyr isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 28 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $13C1-Pro_15N-Arg isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 29 '1D H(NCO)' no . . . . . . . . . . 5 $13C1-Pro_15N-Arg isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 30 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $13C5-Pro_15N-Leu_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $950 . . . . . . . . . . . . . . . . 27876 1 31 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 6 $13C5-Pro_15N-Leu_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $950 . . . . . . . . . . . . . . . . 27876 1 32 '3D HCCH-COSY' no . . . . . . . . . . 6 $13C5-Pro_15N-Leu_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 33 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $13C5-Pro_15N-Leu_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $800 . . . . . . . . . . . . . . . . 27876 1 34 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $13C5-Pro_15N-Leu_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 1 35 '1D H(NCO)' no . . . . . . . . . . 7 $13C5-Pro_15N-Leu_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27876 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 27876 _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 . . . . . 27876 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27876 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27876 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27876 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err 0.3 _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' . . . 27876 1 2 '3D HNCO' . . . 27876 1 3 '3D HN(CA)CO' . . . 27876 1 4 '3D HNCA' . . . 27876 1 5 '3D HNCACB' . . . 27876 1 6 '3D HN(CO)CACB' . . . 27876 1 7 '3D HBHA(CO)NH' . . . 27876 1 8 '3D H(CCO)NH' . . . 27876 1 9 '3D C(CO)NH' . . . 27876 1 10 '3D HCCH-TOCSY' . . . 27876 1 11 '2D 1H-13C HSQC aromatic' . . . 27876 1 12 '3D 1H-13C NOESY aromatic' . . . 27876 1 13 '2D 1H-13C HSQC aliphatic' . . . 27876 1 14 '3D 1H-13C NOESY aliphatic' . . . 27876 1 15 '2D 1H-15N HSQC' . . . 27876 1 16 '3D 1H-15N NOESY' . . . 27876 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27876 1 2 $CARA . . 27876 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU H H 1 8.278 0.020 . 1 . . . . . 3 LEU H . 27876 1 2 . 1 1 3 3 LEU HA H 1 4.273 0.020 . 1 . . . . . 3 LEU HA . 27876 1 3 . 1 1 3 3 LEU HB2 H 1 1.514 0.020 . 2 . . . . . 3 LEU HB2 . 27876 1 4 . 1 1 3 3 LEU HB3 H 1 1.441 0.020 . 2 . . . . . 3 LEU HB3 . 27876 1 5 . 1 1 3 3 LEU HG H 1 1.525 0.020 . 1 . . . . . 3 LEU HG . 27876 1 6 . 1 1 3 3 LEU HD11 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 27876 1 7 . 1 1 3 3 LEU HD12 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 27876 1 8 . 1 1 3 3 LEU HD13 H 1 0.867 0.020 . 2 . . . . . 3 LEU HD1 . 27876 1 9 . 1 1 3 3 LEU HD21 H 1 0.817 0.020 . 2 . . . . . 3 LEU HD2 . 27876 1 10 . 1 1 3 3 LEU HD22 H 1 0.817 0.020 . 2 . . . . . 3 LEU HD2 . 27876 1 11 . 1 1 3 3 LEU HD23 H 1 0.817 0.020 . 2 . . . . . 3 LEU HD2 . 27876 1 12 . 1 1 3 3 LEU CA C 13 55.000 0.3 . 1 . . . . . 3 LEU CA . 27876 1 13 . 1 1 3 3 LEU CB C 13 42.468 0.3 . 1 . . . . . 3 LEU CB . 27876 1 14 . 1 1 3 3 LEU CG C 13 27.001 0.3 . 1 . . . . . 3 LEU CG . 27876 1 15 . 1 1 3 3 LEU CD1 C 13 24.749 0.3 . 1 . . . . . 3 LEU CD1 . 27876 1 16 . 1 1 3 3 LEU CD2 C 13 23.714 0.3 . 1 . . . . . 3 LEU CD2 . 27876 1 17 . 1 1 3 3 LEU N N 15 124.174 0.3 . 1 . . . . . 3 LEU N . 27876 1 18 . 1 1 4 4 PHE H H 1 8.062 0.020 . 1 . . . . . 4 PHE H . 27876 1 19 . 1 1 4 4 PHE HA H 1 4.605 0.020 . 1 . . . . . 4 PHE HA . 27876 1 20 . 1 1 4 4 PHE HB2 H 1 2.995 0.020 . 2 . . . . . 4 PHE HB2 . 27876 1 21 . 1 1 4 4 PHE HB3 H 1 3.114 0.020 . 2 . . . . . 4 PHE HB3 . 27876 1 22 . 1 1 4 4 PHE HD1 H 1 7.235 0.020 . 1 . . . . . 4 PHE HD1 . 27876 1 23 . 1 1 4 4 PHE HD2 H 1 7.235 0.020 . 1 . . . . . 4 PHE HD2 . 27876 1 24 . 1 1 4 4 PHE C C 13 175.281 0.3 . 1 . . . . . 4 PHE C . 27876 1 25 . 1 1 4 4 PHE CA C 13 57.510 0.3 . 1 . . . . . 4 PHE CA . 27876 1 26 . 1 1 4 4 PHE CB C 13 39.529 0.3 . 1 . . . . . 4 PHE CB . 27876 1 27 . 1 1 4 4 PHE CD1 C 13 132.074 0.3 . 1 . . . . . 4 PHE CD1 . 27876 1 28 . 1 1 4 4 PHE CD2 C 13 132.074 0.3 . 1 . . . . . 4 PHE CD2 . 27876 1 29 . 1 1 4 4 PHE N N 15 120.402 0.3 . 1 . . . . . 4 PHE N . 27876 1 30 . 1 1 5 5 ARG H H 1 8.038 0.020 . 1 . . . . . 5 ARG H . 27876 1 31 . 1 1 5 5 ARG HA H 1 4.283 0.020 . 1 . . . . . 5 ARG HA . 27876 1 32 . 1 1 5 5 ARG HB2 H 1 1.773 0.020 . 2 . . . . . 5 ARG HB2 . 27876 1 33 . 1 1 5 5 ARG HB3 H 1 1.668 0.020 . 2 . . . . . 5 ARG HB3 . 27876 1 34 . 1 1 5 5 ARG HG2 H 1 1.549 0.020 . 1 . . . . . 5 ARG HG2 . 27876 1 35 . 1 1 5 5 ARG HG3 H 1 1.549 0.020 . 1 . . . . . 5 ARG HG3 . 27876 1 36 . 1 1 5 5 ARG HD2 H 1 3.199 0.020 . 2 . . . . . 5 ARG HD2 . 27876 1 37 . 1 1 5 5 ARG HD3 H 1 3.155 0.020 . 2 . . . . . 5 ARG HD3 . 27876 1 38 . 1 1 5 5 ARG C C 13 175.498 0.3 . 1 . . . . . 5 ARG C . 27876 1 39 . 1 1 5 5 ARG CA C 13 55.866 0.3 . 1 . . . . . 5 ARG CA . 27876 1 40 . 1 1 5 5 ARG CB C 13 31.063 0.3 . 1 . . . . . 5 ARG CB . 27876 1 41 . 1 1 5 5 ARG CG C 13 27.095 0.3 . 1 . . . . . 5 ARG CG . 27876 1 42 . 1 1 5 5 ARG CD C 13 43.437 0.3 . 1 . . . . . 5 ARG CD . 27876 1 43 . 1 1 5 5 ARG N N 15 122.704 0.3 . 1 . . . . . 5 ARG N . 27876 1 44 . 1 1 6 6 ARG H H 1 8.079 0.020 . 1 . . . . . 6 ARG H . 27876 1 45 . 1 1 6 6 ARG HA H 1 4.223 0.020 . 1 . . . . . 6 ARG HA . 27876 1 46 . 1 1 6 6 ARG HB2 H 1 1.739 0.020 . 2 . . . . . 6 ARG HB2 . 27876 1 47 . 1 1 6 6 ARG HB3 H 1 1.682 0.020 . 2 . . . . . 6 ARG HB3 . 27876 1 48 . 1 1 6 6 ARG HG2 H 1 1.555 0.020 . 1 . . . . . 6 ARG HG2 . 27876 1 49 . 1 1 6 6 ARG HG3 H 1 1.555 0.020 . 1 . . . . . 6 ARG HG3 . 27876 1 50 . 1 1 6 6 ARG HD2 H 1 3.167 0.020 . 1 . . . . . 6 ARG HD2 . 27876 1 51 . 1 1 6 6 ARG HD3 H 1 3.167 0.020 . 1 . . . . . 6 ARG HD3 . 27876 1 52 . 1 1 6 6 ARG C C 13 175.331 0.3 . 1 . . . . . 6 ARG C . 27876 1 53 . 1 1 6 6 ARG CA C 13 55.959 0.3 . 1 . . . . . 6 ARG CA . 27876 1 54 . 1 1 6 6 ARG CB C 13 30.930 0.3 . 1 . . . . . 6 ARG CB . 27876 1 55 . 1 1 6 6 ARG CG C 13 27.161 0.3 . 1 . . . . . 6 ARG CG . 27876 1 56 . 1 1 6 6 ARG CD C 13 43.437 0.3 . 1 . . . . . 6 ARG CD . 27876 1 57 . 1 1 6 6 ARG N N 15 122.088 0.3 . 1 . . . . . 6 ARG N . 27876 1 58 . 1 1 7 7 ALA H H 1 8.080 0.020 . 1 . . . . . 7 ALA H . 27876 1 59 . 1 1 7 7 ALA HA H 1 4.308 0.020 . 1 . . . . . 7 ALA HA . 27876 1 60 . 1 1 7 7 ALA HB1 H 1 1.281 0.020 . 1 . . . . . 7 ALA HB . 27876 1 61 . 1 1 7 7 ALA HB2 H 1 1.281 0.020 . 1 . . . . . 7 ALA HB . 27876 1 62 . 1 1 7 7 ALA HB3 H 1 1.281 0.020 . 1 . . . . . 7 ALA HB . 27876 1 63 . 1 1 7 7 ALA C C 13 176.746 0.3 . 1 . . . . . 7 ALA C . 27876 1 64 . 1 1 7 7 ALA CA C 13 52.016 0.3 . 1 . . . . . 7 ALA CA . 27876 1 65 . 1 1 7 7 ALA CB C 13 19.698 0.3 . 1 . . . . . 7 ALA CB . 27876 1 66 . 1 1 7 7 ALA N N 15 124.672 0.3 . 1 . . . . . 7 ALA N . 27876 1 67 . 1 1 8 8 TYR H H 1 8.151 0.020 . 1 . . . . . 8 TYR H . 27876 1 68 . 1 1 8 8 TYR HA H 1 4.742 0.020 . 1 . . . . . 8 TYR HA . 27876 1 69 . 1 1 8 8 TYR HB2 H 1 3.000 0.020 . 2 . . . . . 8 TYR HB2 . 27876 1 70 . 1 1 8 8 TYR HB3 H 1 2.812 0.020 . 2 . . . . . 8 TYR HB3 . 27876 1 71 . 1 1 8 8 TYR HD1 H 1 7.162 0.020 . 1 . . . . . 8 TYR HD1 . 27876 1 72 . 1 1 8 8 TYR HD2 H 1 7.162 0.020 . 1 . . . . . 8 TYR HD2 . 27876 1 73 . 1 1 8 8 TYR HE1 H 1 6.797 0.020 . 1 . . . . . 8 TYR HE1 . 27876 1 74 . 1 1 8 8 TYR HE2 H 1 6.797 0.020 . 1 . . . . . 8 TYR HE2 . 27876 1 75 . 1 1 8 8 TYR CA C 13 55.995 0.3 . 1 . . . . . 8 TYR CA . 27876 1 76 . 1 1 8 8 TYR CB C 13 38.204 0.3 . 1 . . . . . 8 TYR CB . 27876 1 77 . 1 1 8 8 TYR CD1 C 13 133.411 0.3 . 1 . . . . . 8 TYR CD1 . 27876 1 78 . 1 1 8 8 TYR CD2 C 13 133.411 0.3 . 1 . . . . . 8 TYR CD2 . 27876 1 79 . 1 1 8 8 TYR CE1 C 13 118.285 0.3 . 1 . . . . . 8 TYR CE1 . 27876 1 80 . 1 1 8 8 TYR CE2 C 13 118.285 0.3 . 1 . . . . . 8 TYR CE2 . 27876 1 81 . 1 1 8 8 TYR N N 15 120.091 0.3 . 1 . . . . . 8 TYR N . 27876 1 82 . 1 1 9 9 PRO HA H 1 4.407 0.020 . 1 . . . . . 9 PRO HA . 27876 1 83 . 1 1 9 9 PRO HB2 H 1 2.277 0.020 . 2 . . . . . 9 PRO HB2 . 27876 1 84 . 1 1 9 9 PRO HB3 H 1 1.893 0.020 . 2 . . . . . 9 PRO HB3 . 27876 1 85 . 1 1 9 9 PRO HG2 H 1 1.995 0.020 . 1 . . . . . 9 PRO HG2 . 27876 1 86 . 1 1 9 9 PRO HG3 H 1 1.995 0.020 . 1 . . . . . 9 PRO HG3 . 27876 1 87 . 1 1 9 9 PRO HD2 H 1 3.750 0.020 . 2 . . . . . 9 PRO HD2 . 27876 1 88 . 1 1 9 9 PRO HD3 H 1 3.604 0.020 . 2 . . . . . 9 PRO HD3 . 27876 1 89 . 1 1 9 9 PRO C C 13 176.718 0.3 . 1 . . . . . 9 PRO C . 27876 1 90 . 1 1 9 9 PRO CA C 13 63.300 0.3 . 1 . . . . . 9 PRO CA . 27876 1 91 . 1 1 9 9 PRO CB C 13 31.951 0.3 . 1 . . . . . 9 PRO CB . 27876 1 92 . 1 1 9 9 PRO CG C 13 27.415 0.3 . 1 . . . . . 9 PRO CG . 27876 1 93 . 1 1 9 9 PRO CD C 13 50.629 0.3 . 1 . . . . . 9 PRO CD . 27876 1 94 . 1 1 10 10 GLN H H 1 8.308 0.020 . 1 . . . . . 10 GLN H . 27876 1 95 . 1 1 10 10 GLN HA H 1 4.153 0.020 . 1 . . . . . 10 GLN HA . 27876 1 96 . 1 1 10 10 GLN HB2 H 1 2.063 0.020 . 2 . . . . . 10 GLN HB2 . 27876 1 97 . 1 1 10 10 GLN HB3 H 1 1.984 0.020 . 2 . . . . . 10 GLN HB3 . 27876 1 98 . 1 1 10 10 GLN HG2 H 1 2.365 0.020 . 1 . . . . . 10 GLN HG2 . 27876 1 99 . 1 1 10 10 GLN HG3 H 1 2.365 0.020 . 1 . . . . . 10 GLN HG3 . 27876 1 100 . 1 1 10 10 GLN C C 13 176.040 0.3 . 1 . . . . . 10 GLN C . 27876 1 101 . 1 1 10 10 GLN CA C 13 56.734 0.3 . 1 . . . . . 10 GLN CA . 27876 1 102 . 1 1 10 10 GLN CB C 13 29.474 0.3 . 1 . . . . . 10 GLN CB . 27876 1 103 . 1 1 10 10 GLN CG C 13 33.956 0.3 . 1 . . . . . 10 GLN CG . 27876 1 104 . 1 1 10 10 GLN N N 15 120.161 0.3 . 1 . . . . . 10 GLN N . 27876 1 105 . 1 1 11 11 LYS H H 1 8.131 0.020 . 1 . . . . . 11 LYS H . 27876 1 106 . 1 1 11 11 LYS HA H 1 4.247 0.020 . 1 . . . . . 11 LYS HA . 27876 1 107 . 1 1 11 11 LYS HB2 H 1 1.764 0.020 . 1 . . . . . 11 LYS HB2 . 27876 1 108 . 1 1 11 11 LYS HB3 H 1 1.764 0.020 . 1 . . . . . 11 LYS HB3 . 27876 1 109 . 1 1 11 11 LYS HG2 H 1 1.364 0.020 . 1 . . . . . 11 LYS HG2 . 27876 1 110 . 1 1 11 11 LYS HG3 H 1 1.364 0.020 . 1 . . . . . 11 LYS HG3 . 27876 1 111 . 1 1 11 11 LYS HD2 H 1 1.636 0.020 . 1 . . . . . 11 LYS HD2 . 27876 1 112 . 1 1 11 11 LYS HD3 H 1 1.636 0.020 . 1 . . . . . 11 LYS HD3 . 27876 1 113 . 1 1 11 11 LYS HE2 H 1 2.957 0.020 . 1 . . . . . 11 LYS HE2 . 27876 1 114 . 1 1 11 11 LYS HE3 H 1 2.957 0.020 . 1 . . . . . 11 LYS HE3 . 27876 1 115 . 1 1 11 11 LYS C C 13 175.594 0.3 . 1 . . . . . 11 LYS C . 27876 1 116 . 1 1 11 11 LYS CA C 13 56.443 0.3 . 1 . . . . . 11 LYS CA . 27876 1 117 . 1 1 11 11 LYS CB C 13 33.001 0.3 . 1 . . . . . 11 LYS CB . 27876 1 118 . 1 1 11 11 LYS CG C 13 24.724 0.3 . 1 . . . . . 11 LYS CG . 27876 1 119 . 1 1 11 11 LYS CD C 13 29.089 0.3 . 1 . . . . . 11 LYS CD . 27876 1 120 . 1 1 11 11 LYS CE C 13 42.224 0.3 . 1 . . . . . 11 LYS CE . 27876 1 121 . 1 1 11 11 LYS N N 15 119.925 0.3 . 1 . . . . . 11 LYS N . 27876 1 122 . 1 1 12 12 ASN H H 1 8.252 0.020 . 1 . . . . . 12 ASN H . 27876 1 123 . 1 1 12 12 ASN HA H 1 4.746 0.020 . 1 . . . . . 12 ASN HA . 27876 1 124 . 1 1 12 12 ASN HB2 H 1 2.706 0.020 . 2 . . . . . 12 ASN HB2 . 27876 1 125 . 1 1 12 12 ASN HB3 H 1 2.539 0.020 . 2 . . . . . 12 ASN HB3 . 27876 1 126 . 1 1 12 12 ASN C C 13 175.123 0.3 . 1 . . . . . 12 ASN C . 27876 1 127 . 1 1 12 12 ASN CA C 13 52.740 0.3 . 1 . . . . . 12 ASN CA . 27876 1 128 . 1 1 12 12 ASN CB C 13 40.012 0.3 . 1 . . . . . 12 ASN CB . 27876 1 129 . 1 1 12 12 ASN N N 15 118.519 0.3 . 1 . . . . . 12 ASN N . 27876 1 130 . 1 1 13 13 ARG H H 1 8.092 0.020 . 1 . . . . . 13 ARG H . 27876 1 131 . 1 1 13 13 ARG HA H 1 4.120 0.020 . 1 . . . . . 13 ARG HA . 27876 1 132 . 1 1 13 13 ARG HB2 H 1 1.329 0.020 . 2 . . . . . 13 ARG HB2 . 27876 1 133 . 1 1 13 13 ARG HB3 H 1 1.224 0.020 . 2 . . . . . 13 ARG HB3 . 27876 1 134 . 1 1 13 13 ARG HG2 H 1 1.701 0.020 . 2 . . . . . 13 ARG HG2 . 27876 1 135 . 1 1 13 13 ARG HG3 H 1 1.498 0.020 . 2 . . . . . 13 ARG HG3 . 27876 1 136 . 1 1 13 13 ARG HD2 H 1 2.743 0.020 . 2 . . . . . 13 ARG HD2 . 27876 1 137 . 1 1 13 13 ARG HD3 H 1 2.139 0.020 . 2 . . . . . 13 ARG HD3 . 27876 1 138 . 1 1 13 13 ARG C C 13 175.901 0.3 . 1 . . . . . 13 ARG C . 27876 1 139 . 1 1 13 13 ARG CA C 13 56.385 0.3 . 1 . . . . . 13 ARG CA . 27876 1 140 . 1 1 13 13 ARG CB C 13 30.491 0.3 . 1 . . . . . 13 ARG CB . 27876 1 141 . 1 1 13 13 ARG CG C 13 27.097 0.3 . 1 . . . . . 13 ARG CG . 27876 1 142 . 1 1 13 13 ARG CD C 13 43.405 0.3 . 1 . . . . . 13 ARG CD . 27876 1 143 . 1 1 13 13 ARG N N 15 120.180 0.3 . 1 . . . . . 13 ARG N . 27876 1 144 . 1 1 14 14 LEU H H 1 9.430 0.020 . 1 . . . . . 14 LEU H . 27876 1 145 . 1 1 14 14 LEU HA H 1 3.653 0.020 . 1 . . . . . 14 LEU HA . 27876 1 146 . 1 1 14 14 LEU HB2 H 1 1.787 0.020 . 2 . . . . . 14 LEU HB2 . 27876 1 147 . 1 1 14 14 LEU HB3 H 1 1.647 0.020 . 2 . . . . . 14 LEU HB3 . 27876 1 148 . 1 1 14 14 LEU HG H 1 1.438 0.020 . 1 . . . . . 14 LEU HG . 27876 1 149 . 1 1 14 14 LEU HD11 H 1 0.705 0.020 . 2 . . . . . 14 LEU HD1 . 27876 1 150 . 1 1 14 14 LEU HD12 H 1 0.705 0.020 . 2 . . . . . 14 LEU HD1 . 27876 1 151 . 1 1 14 14 LEU HD13 H 1 0.705 0.020 . 2 . . . . . 14 LEU HD1 . 27876 1 152 . 1 1 14 14 LEU HD21 H 1 0.689 0.020 . 2 . . . . . 14 LEU HD2 . 27876 1 153 . 1 1 14 14 LEU HD22 H 1 0.689 0.020 . 2 . . . . . 14 LEU HD2 . 27876 1 154 . 1 1 14 14 LEU HD23 H 1 0.689 0.020 . 2 . . . . . 14 LEU HD2 . 27876 1 155 . 1 1 14 14 LEU C C 13 178.160 0.3 . 1 . . . . . 14 LEU C . 27876 1 156 . 1 1 14 14 LEU CA C 13 59.046 0.3 . 1 . . . . . 14 LEU CA . 27876 1 157 . 1 1 14 14 LEU CB C 13 43.046 0.3 . 1 . . . . . 14 LEU CB . 27876 1 158 . 1 1 14 14 LEU CG C 13 26.764 0.3 . 1 . . . . . 14 LEU CG . 27876 1 159 . 1 1 14 14 LEU CD1 C 13 26.764 0.3 . 1 . . . . . 14 LEU CD1 . 27876 1 160 . 1 1 14 14 LEU CD2 C 13 24.250 0.3 . 1 . . . . . 14 LEU CD2 . 27876 1 161 . 1 1 14 14 LEU N N 15 122.005 0.3 . 1 . . . . . 14 LEU N . 27876 1 162 . 1 1 15 15 GLY H H 1 9.709 0.020 . 1 . . . . . 15 GLY H . 27876 1 163 . 1 1 15 15 GLY HA2 H 1 4.087 0.020 . 2 . . . . . 15 GLY HA2 . 27876 1 164 . 1 1 15 15 GLY HA3 H 1 3.310 0.020 . 2 . . . . . 15 GLY HA3 . 27876 1 165 . 1 1 15 15 GLY C C 13 174.915 0.3 . 1 . . . . . 15 GLY C . 27876 1 166 . 1 1 15 15 GLY CA C 13 48.576 0.3 . 1 . . . . . 15 GLY CA . 27876 1 167 . 1 1 15 15 GLY N N 15 105.988 0.3 . 1 . . . . . 15 GLY N . 27876 1 168 . 1 1 16 16 GLU H H 1 7.308 0.020 . 1 . . . . . 16 GLU H . 27876 1 169 . 1 1 16 16 GLU HA H 1 3.920 0.020 . 1 . . . . . 16 GLU HA . 27876 1 170 . 1 1 16 16 GLU HB2 H 1 2.168 0.020 . 2 . . . . . 16 GLU HB2 . 27876 1 171 . 1 1 16 16 GLU HB3 H 1 2.027 0.020 . 2 . . . . . 16 GLU HB3 . 27876 1 172 . 1 1 16 16 GLU HG2 H 1 2.587 0.020 . 1 . . . . . 16 GLU HG2 . 27876 1 173 . 1 1 16 16 GLU HG3 H 1 2.587 0.020 . 1 . . . . . 16 GLU HG3 . 27876 1 174 . 1 1 16 16 GLU C C 13 179.547 0.3 . 1 . . . . . 16 GLU C . 27876 1 175 . 1 1 16 16 GLU CA C 13 58.870 0.3 . 1 . . . . . 16 GLU CA . 27876 1 176 . 1 1 16 16 GLU CB C 13 29.150 0.3 . 1 . . . . . 16 GLU CB . 27876 1 177 . 1 1 16 16 GLU CG C 13 35.828 0.3 . 1 . . . . . 16 GLU CG . 27876 1 178 . 1 1 16 16 GLU N N 15 121.868 0.3 . 1 . . . . . 16 GLU N . 27876 1 179 . 1 1 17 17 VAL H H 1 8.230 0.020 . 1 . . . . . 17 VAL H . 27876 1 180 . 1 1 17 17 VAL HA H 1 3.608 0.020 . 1 . . . . . 17 VAL HA . 27876 1 181 . 1 1 17 17 VAL HB H 1 2.172 0.020 . 1 . . . . . 17 VAL HB . 27876 1 182 . 1 1 17 17 VAL HG11 H 1 0.908 0.020 . 2 . . . . . 17 VAL HG1 . 27876 1 183 . 1 1 17 17 VAL HG12 H 1 0.908 0.020 . 2 . . . . . 17 VAL HG1 . 27876 1 184 . 1 1 17 17 VAL HG13 H 1 0.908 0.020 . 2 . . . . . 17 VAL HG1 . 27876 1 185 . 1 1 17 17 VAL HG21 H 1 0.916 0.020 . 2 . . . . . 17 VAL HG2 . 27876 1 186 . 1 1 17 17 VAL HG22 H 1 0.916 0.020 . 2 . . . . . 17 VAL HG2 . 27876 1 187 . 1 1 17 17 VAL HG23 H 1 0.916 0.020 . 2 . . . . . 17 VAL HG2 . 27876 1 188 . 1 1 17 17 VAL C C 13 178.368 0.3 . 1 . . . . . 17 VAL C . 27876 1 189 . 1 1 17 17 VAL CA C 13 66.919 0.3 . 1 . . . . . 17 VAL CA . 27876 1 190 . 1 1 17 17 VAL CB C 13 31.659 0.3 . 1 . . . . . 17 VAL CB . 27876 1 191 . 1 1 17 17 VAL CG1 C 13 21.736 0.3 . 1 . . . . . 17 VAL CG1 . 27876 1 192 . 1 1 17 17 VAL CG2 C 13 22.662 0.3 . 1 . . . . . 17 VAL CG2 . 27876 1 193 . 1 1 17 17 VAL N N 15 120.961 0.3 . 1 . . . . . 17 VAL N . 27876 1 194 . 1 1 18 18 LEU H H 1 7.681 0.020 . 1 . . . . . 18 LEU H . 27876 1 195 . 1 1 18 18 LEU HA H 1 3.953 0.020 . 1 . . . . . 18 LEU HA . 27876 1 196 . 1 1 18 18 LEU HB2 H 1 2.040 0.020 . 2 . . . . . 18 LEU HB2 . 27876 1 197 . 1 1 18 18 LEU HB3 H 1 1.161 0.020 . 2 . . . . . 18 LEU HB3 . 27876 1 198 . 1 1 18 18 LEU HG H 1 1.583 0.020 . 1 . . . . . 18 LEU HG . 27876 1 199 . 1 1 18 18 LEU HD11 H 1 0.633 0.020 . 2 . . . . . 18 LEU HD1 . 27876 1 200 . 1 1 18 18 LEU HD12 H 1 0.633 0.020 . 2 . . . . . 18 LEU HD1 . 27876 1 201 . 1 1 18 18 LEU HD13 H 1 0.633 0.020 . 2 . . . . . 18 LEU HD1 . 27876 1 202 . 1 1 18 18 LEU HD21 H 1 0.695 0.020 . 2 . . . . . 18 LEU HD2 . 27876 1 203 . 1 1 18 18 LEU HD22 H 1 0.695 0.020 . 2 . . . . . 18 LEU HD2 . 27876 1 204 . 1 1 18 18 LEU HD23 H 1 0.695 0.020 . 2 . . . . . 18 LEU HD2 . 27876 1 205 . 1 1 18 18 LEU C C 13 179.755 0.3 . 1 . . . . . 18 LEU C . 27876 1 206 . 1 1 18 18 LEU CA C 13 58.316 0.3 . 1 . . . . . 18 LEU CA . 27876 1 207 . 1 1 18 18 LEU CB C 13 42.847 0.3 . 1 . . . . . 18 LEU CB . 27876 1 208 . 1 1 18 18 LEU CG C 13 27.177 0.3 . 1 . . . . . 18 LEU CG . 27876 1 209 . 1 1 18 18 LEU CD1 C 13 27.297 0.3 . 1 . . . . . 18 LEU CD1 . 27876 1 210 . 1 1 18 18 LEU CD2 C 13 23.930 0.3 . 1 . . . . . 18 LEU CD2 . 27876 1 211 . 1 1 18 18 LEU N N 15 118.310 0.3 . 1 . . . . . 18 LEU N . 27876 1 212 . 1 1 19 19 VAL H H 1 8.700 0.020 . 1 . . . . . 19 VAL H . 27876 1 213 . 1 1 19 19 VAL HA H 1 4.305 0.020 . 1 . . . . . 19 VAL HA . 27876 1 214 . 1 1 19 19 VAL HB H 1 2.126 0.020 . 1 . . . . . 19 VAL HB . 27876 1 215 . 1 1 19 19 VAL HG11 H 1 0.939 0.020 . 2 . . . . . 19 VAL HG1 . 27876 1 216 . 1 1 19 19 VAL HG12 H 1 0.939 0.020 . 2 . . . . . 19 VAL HG1 . 27876 1 217 . 1 1 19 19 VAL HG13 H 1 0.939 0.020 . 2 . . . . . 19 VAL HG1 . 27876 1 218 . 1 1 19 19 VAL HG21 H 1 0.863 0.020 . 2 . . . . . 19 VAL HG2 . 27876 1 219 . 1 1 19 19 VAL HG22 H 1 0.863 0.020 . 2 . . . . . 19 VAL HG2 . 27876 1 220 . 1 1 19 19 VAL HG23 H 1 0.863 0.020 . 2 . . . . . 19 VAL HG2 . 27876 1 221 . 1 1 19 19 VAL C C 13 181.336 0.3 . 1 . . . . . 19 VAL C . 27876 1 222 . 1 1 19 19 VAL CA C 13 65.365 0.3 . 1 . . . . . 19 VAL CA . 27876 1 223 . 1 1 19 19 VAL CB C 13 32.017 0.3 . 1 . . . . . 19 VAL CB . 27876 1 224 . 1 1 19 19 VAL CG1 C 13 21.339 0.3 . 1 . . . . . 19 VAL CG1 . 27876 1 225 . 1 1 19 19 VAL CG2 C 13 22.331 0.3 . 1 . . . . . 19 VAL CG2 . 27876 1 226 . 1 1 19 19 VAL N N 15 121.080 0.3 . 1 . . . . . 19 VAL N . 27876 1 227 . 1 1 20 20 GLN H H 1 8.595 0.020 . 1 . . . . . 20 GLN H . 27876 1 228 . 1 1 20 20 GLN HA H 1 4.068 0.020 . 1 . . . . . 20 GLN HA . 27876 1 229 . 1 1 20 20 GLN HB2 H 1 2.266 0.020 . 1 . . . . . 20 GLN HB2 . 27876 1 230 . 1 1 20 20 GLN HB3 H 1 2.266 0.020 . 1 . . . . . 20 GLN HB3 . 27876 1 231 . 1 1 20 20 GLN HG2 H 1 2.532 0.020 . 1 . . . . . 20 GLN HG2 . 27876 1 232 . 1 1 20 20 GLN HG3 H 1 2.532 0.020 . 1 . . . . . 20 GLN HG3 . 27876 1 233 . 1 1 20 20 GLN C C 13 178.244 0.3 . 1 . . . . . 20 GLN C . 27876 1 234 . 1 1 20 20 GLN CA C 13 58.970 0.3 . 1 . . . . . 20 GLN CA . 27876 1 235 . 1 1 20 20 GLN CB C 13 28.017 0.3 . 1 . . . . . 20 GLN CB . 27876 1 236 . 1 1 20 20 GLN CG C 13 34.174 0.3 . 1 . . . . . 20 GLN CG . 27876 1 237 . 1 1 20 20 GLN N N 15 122.366 0.3 . 1 . . . . . 20 GLN N . 27876 1 238 . 1 1 21 21 GLU H H 1 7.787 0.020 . 1 . . . . . 21 GLU H . 27876 1 239 . 1 1 21 21 GLU HA H 1 4.295 0.020 . 1 . . . . . 21 GLU HA . 27876 1 240 . 1 1 21 21 GLU HB2 H 1 2.242 0.020 . 2 . . . . . 21 GLU HB2 . 27876 1 241 . 1 1 21 21 GLU HB3 H 1 2.048 0.020 . 2 . . . . . 21 GLU HB3 . 27876 1 242 . 1 1 21 21 GLU HG2 H 1 2.590 0.020 . 2 . . . . . 21 GLU HG2 . 27876 1 243 . 1 1 21 21 GLU HG3 H 1 2.386 0.020 . 2 . . . . . 21 GLU HG3 . 27876 1 244 . 1 1 21 21 GLU C C 13 176.704 0.3 . 1 . . . . . 21 GLU C . 27876 1 245 . 1 1 21 21 GLU CA C 13 56.408 0.3 . 1 . . . . . 21 GLU CA . 27876 1 246 . 1 1 21 21 GLU CB C 13 30.400 0.3 . 1 . . . . . 21 GLU CB . 27876 1 247 . 1 1 21 21 GLU CG C 13 35.738 0.3 . 1 . . . . . 21 GLU CG . 27876 1 248 . 1 1 21 21 GLU N N 15 115.116 0.3 . 1 . . . . . 21 GLU N . 27876 1 249 . 1 1 22 22 GLY H H 1 8.085 0.020 . 1 . . . . . 22 GLY H . 27876 1 250 . 1 1 22 22 GLY HA2 H 1 4.136 0.020 . 2 . . . . . 22 GLY HA2 . 27876 1 251 . 1 1 22 22 GLY HA3 H 1 3.958 0.020 . 2 . . . . . 22 GLY HA3 . 27876 1 252 . 1 1 22 22 GLY C C 13 175.137 0.3 . 1 . . . . . 22 GLY C . 27876 1 253 . 1 1 22 22 GLY CA C 13 45.679 0.3 . 1 . . . . . 22 GLY CA . 27876 1 254 . 1 1 22 22 GLY N N 15 107.600 0.3 . 1 . . . . . 22 GLY N . 27876 1 255 . 1 1 23 23 LYS H H 1 7.926 0.020 . 1 . . . . . 23 LYS H . 27876 1 256 . 1 1 23 23 LYS HA H 1 4.329 0.020 . 1 . . . . . 23 LYS HA . 27876 1 257 . 1 1 23 23 LYS HB2 H 1 1.944 0.020 . 2 . . . . . 23 LYS HB2 . 27876 1 258 . 1 1 23 23 LYS HB3 H 1 1.597 0.020 . 2 . . . . . 23 LYS HB3 . 27876 1 259 . 1 1 23 23 LYS HG2 H 1 1.369 0.020 . 2 . . . . . 23 LYS HG2 . 27876 1 260 . 1 1 23 23 LYS HG3 H 1 1.309 0.020 . 2 . . . . . 23 LYS HG3 . 27876 1 261 . 1 1 23 23 LYS HD2 H 1 1.551 0.020 . 2 . . . . . 23 LYS HD2 . 27876 1 262 . 1 1 23 23 LYS HD3 H 1 1.503 0.020 . 2 . . . . . 23 LYS HD3 . 27876 1 263 . 1 1 23 23 LYS C C 13 174.305 0.3 . 1 . . . . . 23 LYS C . 27876 1 264 . 1 1 23 23 LYS CA C 13 56.056 0.3 . 1 . . . . . 23 LYS CA . 27876 1 265 . 1 1 23 23 LYS CB C 13 34.121 0.3 . 1 . . . . . 23 LYS CB . 27876 1 266 . 1 1 23 23 LYS CG C 13 25.732 0.3 . 1 . . . . . 23 LYS CG . 27876 1 267 . 1 1 23 23 LYS CD C 13 29.212 0.3 . 1 . . . . . 23 LYS CD . 27876 1 268 . 1 1 23 23 LYS CE C 13 42.577 0.3 . 1 . . . . . 23 LYS CE . 27876 1 269 . 1 1 23 23 LYS N N 15 116.545 0.3 . 1 . . . . . 23 LYS N . 27876 1 270 . 1 1 24 24 LEU H H 1 6.998 0.020 . 1 . . . . . 24 LEU H . 27876 1 271 . 1 1 24 24 LEU HA H 1 4.582 0.020 . 1 . . . . . 24 LEU HA . 27876 1 272 . 1 1 24 24 LEU HB2 H 1 1.426 0.020 . 2 . . . . . 24 LEU HB2 . 27876 1 273 . 1 1 24 24 LEU HB3 H 1 1.210 0.020 . 2 . . . . . 24 LEU HB3 . 27876 1 274 . 1 1 24 24 LEU HG H 1 1.896 0.020 . 1 . . . . . 24 LEU HG . 27876 1 275 . 1 1 24 24 LEU HD11 H 1 0.898 0.020 . 2 . . . . . 24 LEU HD1 . 27876 1 276 . 1 1 24 24 LEU HD12 H 1 0.898 0.020 . 2 . . . . . 24 LEU HD1 . 27876 1 277 . 1 1 24 24 LEU HD13 H 1 0.898 0.020 . 2 . . . . . 24 LEU HD1 . 27876 1 278 . 1 1 24 24 LEU HD21 H 1 0.795 0.020 . 2 . . . . . 24 LEU HD2 . 27876 1 279 . 1 1 24 24 LEU HD22 H 1 0.795 0.020 . 2 . . . . . 24 LEU HD2 . 27876 1 280 . 1 1 24 24 LEU HD23 H 1 0.795 0.020 . 2 . . . . . 24 LEU HD2 . 27876 1 281 . 1 1 24 24 LEU C C 13 174.362 0.3 . 1 . . . . . 24 LEU C . 27876 1 282 . 1 1 24 24 LEU CA C 13 53.375 0.3 . 1 . . . . . 24 LEU CA . 27876 1 283 . 1 1 24 24 LEU CB C 13 47.548 0.3 . 1 . . . . . 24 LEU CB . 27876 1 284 . 1 1 24 24 LEU CG C 13 26.083 0.3 . 1 . . . . . 24 LEU CG . 27876 1 285 . 1 1 24 24 LEU CD1 C 13 25.814 0.3 . 1 . . . . . 24 LEU CD1 . 27876 1 286 . 1 1 24 24 LEU CD2 C 13 27.835 0.3 . 1 . . . . . 24 LEU CD2 . 27876 1 287 . 1 1 24 24 LEU N N 15 118.961 0.3 . 1 . . . . . 24 LEU N . 27876 1 288 . 1 1 25 25 SER H H 1 8.305 0.020 . 1 . . . . . 25 SER H . 27876 1 289 . 1 1 25 25 SER HA H 1 4.770 0.020 . 1 . . . . . 25 SER HA . 27876 1 290 . 1 1 25 25 SER HB2 H 1 4.439 0.020 . 2 . . . . . 25 SER HB2 . 27876 1 291 . 1 1 25 25 SER HB3 H 1 4.009 0.020 . 2 . . . . . 25 SER HB3 . 27876 1 292 . 1 1 25 25 SER C C 13 175.234 0.3 . 1 . . . . . 25 SER C . 27876 1 293 . 1 1 25 25 SER CA C 13 56.517 0.3 . 1 . . . . . 25 SER CA . 27876 1 294 . 1 1 25 25 SER CB C 13 65.226 0.3 . 1 . . . . . 25 SER CB . 27876 1 295 . 1 1 25 25 SER N N 15 120.176 0.3 . 1 . . . . . 25 SER N . 27876 1 296 . 1 1 26 26 ARG H H 1 9.089 0.020 . 1 . . . . . 26 ARG H . 27876 1 297 . 1 1 26 26 ARG HA H 1 3.873 0.020 . 1 . . . . . 26 ARG HA . 27876 1 298 . 1 1 26 26 ARG HB2 H 1 1.853 0.020 . 1 . . . . . 26 ARG HB2 . 27876 1 299 . 1 1 26 26 ARG HB3 H 1 1.853 0.020 . 1 . . . . . 26 ARG HB3 . 27876 1 300 . 1 1 26 26 ARG HG2 H 1 1.668 0.020 . 1 . . . . . 26 ARG HG2 . 27876 1 301 . 1 1 26 26 ARG HG3 H 1 1.668 0.020 . 1 . . . . . 26 ARG HG3 . 27876 1 302 . 1 1 26 26 ARG HD2 H 1 3.266 0.020 . 1 . . . . . 26 ARG HD2 . 27876 1 303 . 1 1 26 26 ARG HD3 H 1 3.266 0.020 . 1 . . . . . 26 ARG HD3 . 27876 1 304 . 1 1 26 26 ARG C C 13 179.006 0.3 . 1 . . . . . 26 ARG C . 27876 1 305 . 1 1 26 26 ARG CA C 13 60.064 0.3 . 1 . . . . . 26 ARG CA . 27876 1 306 . 1 1 26 26 ARG CB C 13 29.296 0.3 . 1 . . . . . 26 ARG CB . 27876 1 307 . 1 1 26 26 ARG CG C 13 28.682 0.3 . 1 . . . . . 26 ARG CG . 27876 1 308 . 1 1 26 26 ARG CD C 13 43.106 0.3 . 1 . . . . . 26 ARG CD . 27876 1 309 . 1 1 26 26 ARG N N 15 121.680 0.3 . 1 . . . . . 26 ARG N . 27876 1 310 . 1 1 27 27 GLU H H 1 8.774 0.020 . 1 . . . . . 27 GLU H . 27876 1 311 . 1 1 27 27 GLU HA H 1 3.977 0.020 . 1 . . . . . 27 GLU HA . 27876 1 312 . 1 1 27 27 GLU HB2 H 1 2.052 0.020 . 2 . . . . . 27 GLU HB2 . 27876 1 313 . 1 1 27 27 GLU HB3 H 1 1.968 0.020 . 2 . . . . . 27 GLU HB3 . 27876 1 314 . 1 1 27 27 GLU HG2 H 1 2.442 0.020 . 2 . . . . . 27 GLU HG2 . 27876 1 315 . 1 1 27 27 GLU HG3 H 1 2.273 0.020 . 2 . . . . . 27 GLU HG3 . 27876 1 316 . 1 1 27 27 GLU C C 13 178.452 0.3 . 1 . . . . . 27 GLU C . 27876 1 317 . 1 1 27 27 GLU CA C 13 60.223 0.3 . 1 . . . . . 27 GLU CA . 27876 1 318 . 1 1 27 27 GLU CB C 13 28.854 0.3 . 1 . . . . . 27 GLU CB . 27876 1 319 . 1 1 27 27 GLU CG C 13 36.821 0.3 . 1 . . . . . 27 GLU CG . 27876 1 320 . 1 1 27 27 GLU N N 15 119.464 0.3 . 1 . . . . . 27 GLU N . 27876 1 321 . 1 1 28 28 ALA H H 1 7.845 0.020 . 1 . . . . . 28 ALA H . 27876 1 322 . 1 1 28 28 ALA HA H 1 4.167 0.020 . 1 . . . . . 28 ALA HA . 27876 1 323 . 1 1 28 28 ALA HB1 H 1 1.501 0.020 . 1 . . . . . 28 ALA HB . 27876 1 324 . 1 1 28 28 ALA HB2 H 1 1.501 0.020 . 1 . . . . . 28 ALA HB . 27876 1 325 . 1 1 28 28 ALA HB3 H 1 1.501 0.020 . 1 . . . . . 28 ALA HB . 27876 1 326 . 1 1 28 28 ALA C C 13 179.311 0.3 . 1 . . . . . 28 ALA C . 27876 1 327 . 1 1 28 28 ALA CA C 13 54.530 0.3 . 1 . . . . . 28 ALA CA . 27876 1 328 . 1 1 28 28 ALA CB C 13 19.543 0.3 . 1 . . . . . 28 ALA CB . 27876 1 329 . 1 1 28 28 ALA N N 15 124.163 0.3 . 1 . . . . . 28 ALA N . 27876 1 330 . 1 1 29 29 LEU H H 1 7.845 0.020 . 1 . . . . . 29 LEU H . 27876 1 331 . 1 1 29 29 LEU HA H 1 3.807 0.020 . 1 . . . . . 29 LEU HA . 27876 1 332 . 1 1 29 29 LEU HB2 H 1 2.003 0.020 . 2 . . . . . 29 LEU HB2 . 27876 1 333 . 1 1 29 29 LEU HB3 H 1 1.259 0.020 . 2 . . . . . 29 LEU HB3 . 27876 1 334 . 1 1 29 29 LEU HG H 1 1.449 0.020 . 1 . . . . . 29 LEU HG . 27876 1 335 . 1 1 29 29 LEU HD11 H 1 0.824 0.020 . 2 . . . . . 29 LEU HD1 . 27876 1 336 . 1 1 29 29 LEU HD12 H 1 0.824 0.020 . 2 . . . . . 29 LEU HD1 . 27876 1 337 . 1 1 29 29 LEU HD13 H 1 0.824 0.020 . 2 . . . . . 29 LEU HD1 . 27876 1 338 . 1 1 29 29 LEU HD21 H 1 0.668 0.020 . 2 . . . . . 29 LEU HD2 . 27876 1 339 . 1 1 29 29 LEU HD22 H 1 0.668 0.020 . 2 . . . . . 29 LEU HD2 . 27876 1 340 . 1 1 29 29 LEU HD23 H 1 0.668 0.020 . 2 . . . . . 29 LEU HD2 . 27876 1 341 . 1 1 29 29 LEU C C 13 177.425 0.3 . 1 . . . . . 29 LEU C . 27876 1 342 . 1 1 29 29 LEU CA C 13 57.912 0.3 . 1 . . . . . 29 LEU CA . 27876 1 343 . 1 1 29 29 LEU CB C 13 40.795 0.3 . 1 . . . . . 29 LEU CB . 27876 1 344 . 1 1 29 29 LEU CG C 13 27.074 0.3 . 1 . . . . . 29 LEU CG . 27876 1 345 . 1 1 29 29 LEU CD1 C 13 25.524 0.3 . 1 . . . . . 29 LEU CD1 . 27876 1 346 . 1 1 29 29 LEU CD2 C 13 23.334 0.3 . 1 . . . . . 29 LEU CD2 . 27876 1 347 . 1 1 29 29 LEU N N 15 117.859 0.3 . 1 . . . . . 29 LEU N . 27876 1 348 . 1 1 30 30 LYS H H 1 7.726 0.020 . 1 . . . . . 30 LYS H . 27876 1 349 . 1 1 30 30 LYS HA H 1 3.814 0.020 . 1 . . . . . 30 LYS HA . 27876 1 350 . 1 1 30 30 LYS HB2 H 1 1.923 0.020 . 1 . . . . . 30 LYS HB2 . 27876 1 351 . 1 1 30 30 LYS HB3 H 1 1.923 0.020 . 1 . . . . . 30 LYS HB3 . 27876 1 352 . 1 1 30 30 LYS HG2 H 1 1.571 0.020 . 2 . . . . . 30 LYS HG2 . 27876 1 353 . 1 1 30 30 LYS HG3 H 1 1.371 0.020 . 2 . . . . . 30 LYS HG3 . 27876 1 354 . 1 1 30 30 LYS HD2 H 1 1.679 0.020 . 2 . . . . . 30 LYS HD2 . 27876 1 355 . 1 1 30 30 LYS HD3 H 1 1.557 0.020 . 2 . . . . . 30 LYS HD3 . 27876 1 356 . 1 1 30 30 LYS HE2 H 1 2.956 0.020 . 1 . . . . . 30 LYS HE2 . 27876 1 357 . 1 1 30 30 LYS HE3 H 1 2.956 0.020 . 1 . . . . . 30 LYS HE3 . 27876 1 358 . 1 1 30 30 LYS C C 13 178.965 0.3 . 1 . . . . . 30 LYS C . 27876 1 359 . 1 1 30 30 LYS CA C 13 60.000 0.3 . 1 . . . . . 30 LYS CA . 27876 1 360 . 1 1 30 30 LYS CB C 13 32.122 0.3 . 1 . . . . . 30 LYS CB . 27876 1 361 . 1 1 30 30 LYS CG C 13 24.887 0.3 . 1 . . . . . 30 LYS CG . 27876 1 362 . 1 1 30 30 LYS CD C 13 29.519 0.3 . 1 . . . . . 30 LYS CD . 27876 1 363 . 1 1 30 30 LYS CE C 13 42.209 0.3 . 1 . . . . . 30 LYS CE . 27876 1 364 . 1 1 30 30 LYS N N 15 117.545 0.3 . 1 . . . . . 30 LYS N . 27876 1 365 . 1 1 31 31 GLU H H 1 7.605 0.020 . 1 . . . . . 31 GLU H . 27876 1 366 . 1 1 31 31 GLU HA H 1 4.006 0.020 . 1 . . . . . 31 GLU HA . 27876 1 367 . 1 1 31 31 GLU HB2 H 1 2.127 0.020 . 2 . . . . . 31 GLU HB2 . 27876 1 368 . 1 1 31 31 GLU HB3 H 1 2.093 0.020 . 2 . . . . . 31 GLU HB3 . 27876 1 369 . 1 1 31 31 GLU HG2 H 1 2.378 0.020 . 2 . . . . . 31 GLU HG2 . 27876 1 370 . 1 1 31 31 GLU HG3 H 1 2.175 0.020 . 2 . . . . . 31 GLU HG3 . 27876 1 371 . 1 1 31 31 GLU C C 13 178.681 0.3 . 1 . . . . . 31 GLU C . 27876 1 372 . 1 1 31 31 GLU CA C 13 59.192 0.3 . 1 . . . . . 31 GLU CA . 27876 1 373 . 1 1 31 31 GLU CB C 13 28.878 0.3 . 1 . . . . . 31 GLU CB . 27876 1 374 . 1 1 31 31 GLU CG C 13 35.132 0.3 . 1 . . . . . 31 GLU CG . 27876 1 375 . 1 1 31 31 GLU N N 15 118.520 0.3 . 1 . . . . . 31 GLU N . 27876 1 376 . 1 1 32 32 ALA H H 1 8.170 0.020 . 1 . . . . . 32 ALA H . 27876 1 377 . 1 1 32 32 ALA HA H 1 3.768 0.020 . 1 . . . . . 32 ALA HA . 27876 1 378 . 1 1 32 32 ALA HB1 H 1 1.282 0.020 . 1 . . . . . 32 ALA HB . 27876 1 379 . 1 1 32 32 ALA HB2 H 1 1.282 0.020 . 1 . . . . . 32 ALA HB . 27876 1 380 . 1 1 32 32 ALA HB3 H 1 1.282 0.020 . 1 . . . . . 32 ALA HB . 27876 1 381 . 1 1 32 32 ALA C C 13 179.214 0.3 . 1 . . . . . 32 ALA C . 27876 1 382 . 1 1 32 32 ALA CA C 13 55.158 0.3 . 1 . . . . . 32 ALA CA . 27876 1 383 . 1 1 32 32 ALA CB C 13 19.062 0.3 . 1 . . . . . 32 ALA CB . 27876 1 384 . 1 1 32 32 ALA N N 15 121.473 0.3 . 1 . . . . . 32 ALA N . 27876 1 385 . 1 1 33 33 LEU H H 1 8.347 0.020 . 1 . . . . . 33 LEU H . 27876 1 386 . 1 1 33 33 LEU HA H 1 3.874 0.020 . 1 . . . . . 33 LEU HA . 27876 1 387 . 1 1 33 33 LEU HB2 H 1 1.906 0.020 . 2 . . . . . 33 LEU HB2 . 27876 1 388 . 1 1 33 33 LEU HB3 H 1 1.375 0.020 . 2 . . . . . 33 LEU HB3 . 27876 1 389 . 1 1 33 33 LEU HD11 H 1 0.574 0.020 . 2 . . . . . 33 LEU HD1 . 27876 1 390 . 1 1 33 33 LEU HD12 H 1 0.574 0.020 . 2 . . . . . 33 LEU HD1 . 27876 1 391 . 1 1 33 33 LEU HD13 H 1 0.574 0.020 . 2 . . . . . 33 LEU HD1 . 27876 1 392 . 1 1 33 33 LEU HD21 H 1 0.454 0.020 . 2 . . . . . 33 LEU HD2 . 27876 1 393 . 1 1 33 33 LEU HD22 H 1 0.454 0.020 . 2 . . . . . 33 LEU HD2 . 27876 1 394 . 1 1 33 33 LEU HD23 H 1 0.454 0.020 . 2 . . . . . 33 LEU HD2 . 27876 1 395 . 1 1 33 33 LEU C C 13 180.074 0.3 . 1 . . . . . 33 LEU C . 27876 1 396 . 1 1 33 33 LEU CA C 13 57.777 0.3 . 1 . . . . . 33 LEU CA . 27876 1 397 . 1 1 33 33 LEU CB C 13 41.298 0.3 . 1 . . . . . 33 LEU CB . 27876 1 398 . 1 1 33 33 LEU CG C 13 26.764 0.3 . 1 . . . . . 33 LEU CG . 27876 1 399 . 1 1 33 33 LEU CD1 C 13 25.550 0.3 . 1 . . . . . 33 LEU CD1 . 27876 1 400 . 1 1 33 33 LEU CD2 C 13 22.884 0.3 . 1 . . . . . 33 LEU CD2 . 27876 1 401 . 1 1 33 33 LEU N N 15 117.838 0.3 . 1 . . . . . 33 LEU N . 27876 1 402 . 1 1 34 34 GLU H H 1 7.923 0.020 . 1 . . . . . 34 GLU H . 27876 1 403 . 1 1 34 34 GLU HA H 1 4.014 0.020 . 1 . . . . . 34 GLU HA . 27876 1 404 . 1 1 34 34 GLU HB2 H 1 2.197 0.020 . 2 . . . . . 34 GLU HB2 . 27876 1 405 . 1 1 34 34 GLU HB3 H 1 2.096 0.020 . 2 . . . . . 34 GLU HB3 . 27876 1 406 . 1 1 34 34 GLU HG2 H 1 2.353 0.020 . 2 . . . . . 34 GLU HG2 . 27876 1 407 . 1 1 34 34 GLU HG3 H 1 2.324 0.020 . 2 . . . . . 34 GLU HG3 . 27876 1 408 . 1 1 34 34 GLU C C 13 180.150 0.3 . 1 . . . . . 34 GLU C . 27876 1 409 . 1 1 34 34 GLU CA C 13 59.357 0.3 . 1 . . . . . 34 GLU CA . 27876 1 410 . 1 1 34 34 GLU CB C 13 28.914 0.3 . 1 . . . . . 34 GLU CB . 27876 1 411 . 1 1 34 34 GLU CG C 13 36.358 0.3 . 1 . . . . . 34 GLU CG . 27876 1 412 . 1 1 34 34 GLU N N 15 120.716 0.3 . 1 . . . . . 34 GLU N . 27876 1 413 . 1 1 35 35 VAL H H 1 8.126 0.020 . 1 . . . . . 35 VAL H . 27876 1 414 . 1 1 35 35 VAL HA H 1 3.639 0.020 . 1 . . . . . 35 VAL HA . 27876 1 415 . 1 1 35 35 VAL HB H 1 2.248 0.020 . 1 . . . . . 35 VAL HB . 27876 1 416 . 1 1 35 35 VAL HG11 H 1 0.908 0.020 . 2 . . . . . 35 VAL HG1 . 27876 1 417 . 1 1 35 35 VAL HG12 H 1 0.908 0.020 . 2 . . . . . 35 VAL HG1 . 27876 1 418 . 1 1 35 35 VAL HG13 H 1 0.908 0.020 . 2 . . . . . 35 VAL HG1 . 27876 1 419 . 1 1 35 35 VAL HG21 H 1 1.074 0.020 . 2 . . . . . 35 VAL HG2 . 27876 1 420 . 1 1 35 35 VAL HG22 H 1 1.074 0.020 . 2 . . . . . 35 VAL HG2 . 27876 1 421 . 1 1 35 35 VAL HG23 H 1 1.074 0.020 . 2 . . . . . 35 VAL HG2 . 27876 1 422 . 1 1 35 35 VAL C C 13 179.159 0.3 . 1 . . . . . 35 VAL C . 27876 1 423 . 1 1 35 35 VAL CA C 13 66.414 0.3 . 1 . . . . . 35 VAL CA . 27876 1 424 . 1 1 35 35 VAL CB C 13 31.113 0.3 . 1 . . . . . 35 VAL CB . 27876 1 425 . 1 1 35 35 VAL CG1 C 13 21.105 0.3 . 1 . . . . . 35 VAL CG1 . 27876 1 426 . 1 1 35 35 VAL CG2 C 13 22.964 0.3 . 1 . . . . . 35 VAL CG2 . 27876 1 427 . 1 1 35 35 VAL N N 15 121.679 0.3 . 1 . . . . . 35 VAL N . 27876 1 428 . 1 1 36 36 GLN H H 1 8.276 0.020 . 1 . . . . . 36 GLN H . 27876 1 429 . 1 1 36 36 GLN HA H 1 3.739 0.020 . 1 . . . . . 36 GLN HA . 27876 1 430 . 1 1 36 36 GLN HB2 H 1 2.429 0.020 . 2 . . . . . 36 GLN HB2 . 27876 1 431 . 1 1 36 36 GLN HB3 H 1 1.856 0.020 . 2 . . . . . 36 GLN HB3 . 27876 1 432 . 1 1 36 36 GLN HG2 H 1 2.280 0.020 . 2 . . . . . 36 GLN HG2 . 27876 1 433 . 1 1 36 36 GLN HG3 H 1 2.327 0.020 . 2 . . . . . 36 GLN HG3 . 27876 1 434 . 1 1 36 36 GLN C C 13 177.952 0.3 . 1 . . . . . 36 GLN C . 27876 1 435 . 1 1 36 36 GLN CA C 13 59.893 0.3 . 1 . . . . . 36 GLN CA . 27876 1 436 . 1 1 36 36 GLN CB C 13 29.531 0.3 . 1 . . . . . 36 GLN CB . 27876 1 437 . 1 1 36 36 GLN CG C 13 34.821 0.3 . 1 . . . . . 36 GLN CG . 27876 1 438 . 1 1 36 36 GLN N N 15 118.436 0.3 . 1 . . . . . 36 GLN N . 27876 1 439 . 1 1 37 37 LYS H H 1 7.729 0.020 . 1 . . . . . 37 LYS H . 27876 1 440 . 1 1 37 37 LYS HA H 1 4.127 0.020 . 1 . . . . . 37 LYS HA . 27876 1 441 . 1 1 37 37 LYS HB2 H 1 1.923 0.020 . 1 . . . . . 37 LYS HB2 . 27876 1 442 . 1 1 37 37 LYS HB3 H 1 1.923 0.020 . 1 . . . . . 37 LYS HB3 . 27876 1 443 . 1 1 37 37 LYS HG2 H 1 1.639 0.020 . 2 . . . . . 37 LYS HG2 . 27876 1 444 . 1 1 37 37 LYS HG3 H 1 1.569 0.020 . 2 . . . . . 37 LYS HG3 . 27876 1 445 . 1 1 37 37 LYS HD2 H 1 1.701 0.020 . 1 . . . . . 37 LYS HD2 . 27876 1 446 . 1 1 37 37 LYS HD3 H 1 1.701 0.020 . 1 . . . . . 37 LYS HD3 . 27876 1 447 . 1 1 37 37 LYS HE2 H 1 2.970 0.020 . 1 . . . . . 37 LYS HE2 . 27876 1 448 . 1 1 37 37 LYS HE3 H 1 2.970 0.020 . 1 . . . . . 37 LYS HE3 . 27876 1 449 . 1 1 37 37 LYS C C 13 177.430 0.3 . 1 . . . . . 37 LYS C . 27876 1 450 . 1 1 37 37 LYS CA C 13 58.299 0.3 . 1 . . . . . 37 LYS CA . 27876 1 451 . 1 1 37 37 LYS CB C 13 32.619 0.3 . 1 . . . . . 37 LYS CB . 27876 1 452 . 1 1 37 37 LYS CG C 13 24.912 0.3 . 1 . . . . . 37 LYS CG . 27876 1 453 . 1 1 37 37 LYS CD C 13 29.345 0.3 . 1 . . . . . 37 LYS CD . 27876 1 454 . 1 1 37 37 LYS CE C 13 42.180 0.3 . 1 . . . . . 37 LYS CE . 27876 1 455 . 1 1 37 37 LYS N N 15 116.522 0.3 . 1 . . . . . 37 LYS N . 27876 1 456 . 1 1 38 38 GLY H H 1 7.526 0.020 . 1 . . . . . 38 GLY H . 27876 1 457 . 1 1 38 38 GLY HA2 H 1 4.265 0.020 . 2 . . . . . 38 GLY HA2 . 27876 1 458 . 1 1 38 38 GLY HA3 H 1 3.757 0.020 . 2 . . . . . 38 GLY HA3 . 27876 1 459 . 1 1 38 38 GLY C C 13 174.568 0.3 . 1 . . . . . 38 GLY C . 27876 1 460 . 1 1 38 38 GLY CA C 13 45.029 0.3 . 1 . . . . . 38 GLY CA . 27876 1 461 . 1 1 38 38 GLY N N 15 104.223 0.3 . 1 . . . . . 38 GLY N . 27876 1 462 . 1 1 39 39 LEU H H 1 7.088 0.020 . 1 . . . . . 39 LEU H . 27876 1 463 . 1 1 39 39 LEU HA H 1 4.534 0.020 . 1 . . . . . 39 LEU HA . 27876 1 464 . 1 1 39 39 LEU HB2 H 1 1.837 0.020 . 2 . . . . . 39 LEU HB2 . 27876 1 465 . 1 1 39 39 LEU HB3 H 1 1.536 0.020 . 2 . . . . . 39 LEU HB3 . 27876 1 466 . 1 1 39 39 LEU HG H 1 2.165 0.020 . 1 . . . . . 39 LEU HG . 27876 1 467 . 1 1 39 39 LEU HD11 H 1 0.984 0.020 . 2 . . . . . 39 LEU HD1 . 27876 1 468 . 1 1 39 39 LEU HD12 H 1 0.984 0.020 . 2 . . . . . 39 LEU HD1 . 27876 1 469 . 1 1 39 39 LEU HD13 H 1 0.984 0.020 . 2 . . . . . 39 LEU HD1 . 27876 1 470 . 1 1 39 39 LEU HD21 H 1 0.909 0.020 . 2 . . . . . 39 LEU HD2 . 27876 1 471 . 1 1 39 39 LEU HD22 H 1 0.909 0.020 . 2 . . . . . 39 LEU HD2 . 27876 1 472 . 1 1 39 39 LEU HD23 H 1 0.909 0.020 . 2 . . . . . 39 LEU HD2 . 27876 1 473 . 1 1 39 39 LEU C C 13 176.649 0.3 . 1 . . . . . 39 LEU C . 27876 1 474 . 1 1 39 39 LEU CA C 13 53.267 0.3 . 1 . . . . . 39 LEU CA . 27876 1 475 . 1 1 39 39 LEU CB C 13 42.523 0.3 . 1 . . . . . 39 LEU CB . 27876 1 476 . 1 1 39 39 LEU CG C 13 26.017 0.3 . 1 . . . . . 39 LEU CG . 27876 1 477 . 1 1 39 39 LEU CD1 C 13 25.953 0.3 . 1 . . . . . 39 LEU CD1 . 27876 1 478 . 1 1 39 39 LEU CD2 C 13 22.553 0.3 . 1 . . . . . 39 LEU CD2 . 27876 1 479 . 1 1 39 39 LEU N N 15 121.590 0.3 . 1 . . . . . 39 LEU N . 27876 1 480 . 1 1 40 40 PRO HA H 1 4.438 0.020 . 1 . . . . . 40 PRO HA . 27876 1 481 . 1 1 40 40 PRO HB2 H 1 2.308 0.020 . 2 . . . . . 40 PRO HB2 . 27876 1 482 . 1 1 40 40 PRO HB3 H 1 2.015 0.020 . 2 . . . . . 40 PRO HB3 . 27876 1 483 . 1 1 40 40 PRO HG2 H 1 2.115 0.020 . 2 . . . . . 40 PRO HG2 . 27876 1 484 . 1 1 40 40 PRO HG3 H 1 2.023 0.020 . 2 . . . . . 40 PRO HG3 . 27876 1 485 . 1 1 40 40 PRO HD2 H 1 3.904 0.020 . 2 . . . . . 40 PRO HD2 . 27876 1 486 . 1 1 40 40 PRO HD3 H 1 3.793 0.020 . 2 . . . . . 40 PRO HD3 . 27876 1 487 . 1 1 40 40 PRO C C 13 176.316 0.3 . 1 . . . . . 40 PRO C . 27876 1 488 . 1 1 40 40 PRO CA C 13 64.062 0.3 . 1 . . . . . 40 PRO CA . 27876 1 489 . 1 1 40 40 PRO CB C 13 31.681 0.3 . 1 . . . . . 40 PRO CB . 27876 1 490 . 1 1 40 40 PRO CG C 13 27.263 0.3 . 1 . . . . . 40 PRO CG . 27876 1 491 . 1 1 40 40 PRO CD C 13 50.384 0.3 . 1 . . . . . 40 PRO CD . 27876 1 492 . 1 1 41 41 ARG H H 1 6.998 0.020 . 1 . . . . . 41 ARG H . 27876 1 493 . 1 1 41 41 ARG HA H 1 4.480 0.020 . 1 . . . . . 41 ARG HA . 27876 1 494 . 1 1 41 41 ARG HB2 H 1 1.788 0.020 . 2 . . . . . 41 ARG HB2 . 27876 1 495 . 1 1 41 41 ARG HB3 H 1 1.679 0.020 . 2 . . . . . 41 ARG HB3 . 27876 1 496 . 1 1 41 41 ARG HG2 H 1 1.548 0.020 . 1 . . . . . 41 ARG HG2 . 27876 1 497 . 1 1 41 41 ARG HG3 H 1 1.548 0.020 . 1 . . . . . 41 ARG HG3 . 27876 1 498 . 1 1 41 41 ARG HD2 H 1 3.209 0.020 . 1 . . . . . 41 ARG HD2 . 27876 1 499 . 1 1 41 41 ARG HD3 H 1 3.209 0.020 . 1 . . . . . 41 ARG HD3 . 27876 1 500 . 1 1 41 41 ARG C C 13 174.721 0.3 . 1 . . . . . 41 ARG C . 27876 1 501 . 1 1 41 41 ARG CA C 13 54.064 0.3 . 1 . . . . . 41 ARG CA . 27876 1 502 . 1 1 41 41 ARG CB C 13 32.280 0.3 . 1 . . . . . 41 ARG CB . 27876 1 503 . 1 1 41 41 ARG CG C 13 26.698 0.3 . 1 . . . . . 41 ARG CG . 27876 1 504 . 1 1 41 41 ARG CD C 13 43.371 0.3 . 1 . . . . . 41 ARG CD . 27876 1 505 . 1 1 41 41 ARG N N 15 115.733 0.3 . 1 . . . . . 41 ARG N . 27876 1 506 . 1 1 42 42 ALA H H 1 8.239 0.020 . 1 . . . . . 42 ALA H . 27876 1 507 . 1 1 42 42 ALA HA H 1 4.187 0.020 . 1 . . . . . 42 ALA HA . 27876 1 508 . 1 1 42 42 ALA HB1 H 1 1.308 0.020 . 1 . . . . . 42 ALA HB . 27876 1 509 . 1 1 42 42 ALA HB2 H 1 1.308 0.020 . 1 . . . . . 42 ALA HB . 27876 1 510 . 1 1 42 42 ALA HB3 H 1 1.308 0.020 . 1 . . . . . 42 ALA HB . 27876 1 511 . 1 1 42 42 ALA C C 13 176.912 0.3 . 1 . . . . . 42 ALA C . 27876 1 512 . 1 1 42 42 ALA CA C 13 53.331 0.3 . 1 . . . . . 42 ALA CA . 27876 1 513 . 1 1 42 42 ALA CB C 13 18.844 0.3 . 1 . . . . . 42 ALA CB . 27876 1 514 . 1 1 42 42 ALA N N 15 125.311 0.3 . 1 . . . . . 42 ALA N . 27876 1 515 . 1 1 43 43 LYS H H 1 7.420 0.020 . 1 . . . . . 43 LYS H . 27876 1 516 . 1 1 43 43 LYS HA H 1 4.646 0.020 . 1 . . . . . 43 LYS HA . 27876 1 517 . 1 1 43 43 LYS HB2 H 1 1.582 0.020 . 2 . . . . . 43 LYS HB2 . 27876 1 518 . 1 1 43 43 LYS HB3 H 1 1.677 0.020 . 2 . . . . . 43 LYS HB3 . 27876 1 519 . 1 1 43 43 LYS HG2 H 1 1.468 0.020 . 2 . . . . . 43 LYS HG2 . 27876 1 520 . 1 1 43 43 LYS HG3 H 1 1.412 0.020 . 2 . . . . . 43 LYS HG3 . 27876 1 521 . 1 1 43 43 LYS HD2 H 1 1.588 0.020 . 2 . . . . . 43 LYS HD2 . 27876 1 522 . 1 1 43 43 LYS HD3 H 1 1.564 0.020 . 2 . . . . . 43 LYS HD3 . 27876 1 523 . 1 1 43 43 LYS HE2 H 1 2.957 0.020 . 2 . . . . . 43 LYS HE2 . 27876 1 524 . 1 1 43 43 LYS HE3 H 1 2.797 0.020 . 2 . . . . . 43 LYS HE3 . 27876 1 525 . 1 1 43 43 LYS C C 13 172.627 0.3 . 1 . . . . . 43 LYS C . 27876 1 526 . 1 1 43 43 LYS CA C 13 53.556 0.3 . 1 . . . . . 43 LYS CA . 27876 1 527 . 1 1 43 43 LYS CB C 13 35.830 0.3 . 1 . . . . . 43 LYS CB . 27876 1 528 . 1 1 43 43 LYS CG C 13 24.674 0.3 . 1 . . . . . 43 LYS CG . 27876 1 529 . 1 1 43 43 LYS CD C 13 29.887 0.3 . 1 . . . . . 43 LYS CD . 27876 1 530 . 1 1 43 43 LYS CE C 13 41.810 0.3 . 1 . . . . . 43 LYS CE . 27876 1 531 . 1 1 43 43 LYS N N 15 122.931 0.3 . 1 . . . . . 43 LYS N . 27876 1 532 . 1 1 44 44 PRO HA H 1 4.355 0.020 . 1 . . . . . 44 PRO HA . 27876 1 533 . 1 1 44 44 PRO HB2 H 1 1.457 0.020 . 2 . . . . . 44 PRO HB2 . 27876 1 534 . 1 1 44 44 PRO HB3 H 1 1.302 0.020 . 2 . . . . . 44 PRO HB3 . 27876 1 535 . 1 1 44 44 PRO HG2 H 1 1.712 0.020 . 2 . . . . . 44 PRO HG2 . 27876 1 536 . 1 1 44 44 PRO HG3 H 1 1.687 0.020 . 2 . . . . . 44 PRO HG3 . 27876 1 537 . 1 1 44 44 PRO HD2 H 1 3.661 0.020 . 2 . . . . . 44 PRO HD2 . 27876 1 538 . 1 1 44 44 PRO HD3 H 1 3.494 0.020 . 2 . . . . . 44 PRO HD3 . 27876 1 539 . 1 1 44 44 PRO C C 13 177.356 0.3 . 1 . . . . . 44 PRO C . 27876 1 540 . 1 1 44 44 PRO CA C 13 62.162 0.3 . 1 . . . . . 44 PRO CA . 27876 1 541 . 1 1 44 44 PRO CB C 13 31.414 0.3 . 1 . . . . . 44 PRO CB . 27876 1 542 . 1 1 44 44 PRO CG C 13 27.161 0.3 . 1 . . . . . 44 PRO CG . 27876 1 543 . 1 1 44 44 PRO CD C 13 50.781 0.3 . 1 . . . . . 44 PRO CD . 27876 1 544 . 1 1 45 45 LEU H H 1 9.694 0.020 . 1 . . . . . 45 LEU H . 27876 1 545 . 1 1 45 45 LEU HA H 1 3.817 0.020 . 1 . . . . . 45 LEU HA . 27876 1 546 . 1 1 45 45 LEU HB2 H 1 1.724 0.020 . 1 . . . . . 45 LEU HB2 . 27876 1 547 . 1 1 45 45 LEU HB3 H 1 1.724 0.020 . 1 . . . . . 45 LEU HB3 . 27876 1 548 . 1 1 45 45 LEU HG H 1 1.457 0.020 . 1 . . . . . 45 LEU HG . 27876 1 549 . 1 1 45 45 LEU HD11 H 1 0.480 0.020 . 2 . . . . . 45 LEU HD1 . 27876 1 550 . 1 1 45 45 LEU HD12 H 1 0.480 0.020 . 2 . . . . . 45 LEU HD1 . 27876 1 551 . 1 1 45 45 LEU HD13 H 1 0.480 0.020 . 2 . . . . . 45 LEU HD1 . 27876 1 552 . 1 1 45 45 LEU HD21 H 1 0.651 0.020 . 2 . . . . . 45 LEU HD2 . 27876 1 553 . 1 1 45 45 LEU HD22 H 1 0.651 0.020 . 2 . . . . . 45 LEU HD2 . 27876 1 554 . 1 1 45 45 LEU HD23 H 1 0.651 0.020 . 2 . . . . . 45 LEU HD2 . 27876 1 555 . 1 1 45 45 LEU C C 13 178.493 0.3 . 1 . . . . . 45 LEU C . 27876 1 556 . 1 1 45 45 LEU CA C 13 57.887 0.3 . 1 . . . . . 45 LEU CA . 27876 1 557 . 1 1 45 45 LEU CB C 13 42.970 0.3 . 1 . . . . . 45 LEU CB . 27876 1 558 . 1 1 45 45 LEU CG C 13 26.642 0.3 . 1 . . . . . 45 LEU CG . 27876 1 559 . 1 1 45 45 LEU CD1 C 13 26.712 0.3 . 1 . . . . . 45 LEU CD1 . 27876 1 560 . 1 1 45 45 LEU CD2 C 13 23.022 0.3 . 1 . . . . . 45 LEU CD2 . 27876 1 561 . 1 1 45 45 LEU N N 15 122.470 0.3 . 1 . . . . . 45 LEU N . 27876 1 562 . 1 1 46 46 GLY H H 1 10.433 0.020 . 1 . . . . . 46 GLY H . 27876 1 563 . 1 1 46 46 GLY HA2 H 1 4.219 0.020 . 2 . . . . . 46 GLY HA2 . 27876 1 564 . 1 1 46 46 GLY HA3 H 1 3.380 0.020 . 2 . . . . . 46 GLY HA3 . 27876 1 565 . 1 1 46 46 GLY C C 13 175.082 0.3 . 1 . . . . . 46 GLY C . 27876 1 566 . 1 1 46 46 GLY CA C 13 48.742 0.3 . 1 . . . . . 46 GLY CA . 27876 1 567 . 1 1 46 46 GLY N N 15 109.172 0.3 . 1 . . . . . 46 GLY N . 27876 1 568 . 1 1 47 47 GLU H H 1 7.019 0.020 . 1 . . . . . 47 GLU H . 27876 1 569 . 1 1 47 47 GLU HA H 1 4.039 0.020 . 1 . . . . . 47 GLU HA . 27876 1 570 . 1 1 47 47 GLU HB2 H 1 2.035 0.020 . 1 . . . . . 47 GLU HB2 . 27876 1 571 . 1 1 47 47 GLU HB3 H 1 2.035 0.020 . 1 . . . . . 47 GLU HB3 . 27876 1 572 . 1 1 47 47 GLU HG2 H 1 2.548 0.020 . 2 . . . . . 47 GLU HG2 . 27876 1 573 . 1 1 47 47 GLU HG3 H 1 2.301 0.020 . 2 . . . . . 47 GLU HG3 . 27876 1 574 . 1 1 47 47 GLU C C 13 179.422 0.3 . 1 . . . . . 47 GLU C . 27876 1 575 . 1 1 47 47 GLU CA C 13 59.229 0.3 . 1 . . . . . 47 GLU CA . 27876 1 576 . 1 1 47 47 GLU CB C 13 30.236 0.3 . 1 . . . . . 47 GLU CB . 27876 1 577 . 1 1 47 47 GLU CG C 13 36.358 0.3 . 1 . . . . . 47 GLU CG . 27876 1 578 . 1 1 47 47 GLU N N 15 119.181 0.3 . 1 . . . . . 47 GLU N . 27876 1 579 . 1 1 48 48 ILE H H 1 7.433 0.020 . 1 . . . . . 48 ILE H . 27876 1 580 . 1 1 48 48 ILE HA H 1 3.626 0.020 . 1 . . . . . 48 ILE HA . 27876 1 581 . 1 1 48 48 ILE HB H 1 2.045 0.020 . 1 . . . . . 48 ILE HB . 27876 1 582 . 1 1 48 48 ILE HG12 H 1 1.652 0.020 . 2 . . . . . 48 ILE HG12 . 27876 1 583 . 1 1 48 48 ILE HG13 H 1 0.905 0.020 . 2 . . . . . 48 ILE HG13 . 27876 1 584 . 1 1 48 48 ILE HG21 H 1 0.906 0.020 . 1 . . . . . 48 ILE HG2 . 27876 1 585 . 1 1 48 48 ILE HG22 H 1 0.906 0.020 . 1 . . . . . 48 ILE HG2 . 27876 1 586 . 1 1 48 48 ILE HG23 H 1 0.906 0.020 . 1 . . . . . 48 ILE HG2 . 27876 1 587 . 1 1 48 48 ILE HD11 H 1 0.837 0.020 . 1 . . . . . 48 ILE HD1 . 27876 1 588 . 1 1 48 48 ILE HD12 H 1 0.837 0.020 . 1 . . . . . 48 ILE HD1 . 27876 1 589 . 1 1 48 48 ILE HD13 H 1 0.837 0.020 . 1 . . . . . 48 ILE HD1 . 27876 1 590 . 1 1 48 48 ILE C C 13 177.398 0.3 . 1 . . . . . 48 ILE C . 27876 1 591 . 1 1 48 48 ILE CA C 13 65.310 0.3 . 1 . . . . . 48 ILE CA . 27876 1 592 . 1 1 48 48 ILE CB C 13 38.281 0.3 . 1 . . . . . 48 ILE CB . 27876 1 593 . 1 1 48 48 ILE CG1 C 13 28.768 0.3 . 1 . . . . . 48 ILE CG1 . 27876 1 594 . 1 1 48 48 ILE CG2 C 13 17.003 0.3 . 1 . . . . . 48 ILE CG2 . 27876 1 595 . 1 1 48 48 ILE CD1 C 13 14.590 0.3 . 1 . . . . . 48 ILE CD1 . 27876 1 596 . 1 1 48 48 ILE N N 15 120.416 0.3 . 1 . . . . . 48 ILE N . 27876 1 597 . 1 1 49 49 LEU H H 1 8.700 0.020 . 1 . . . . . 49 LEU H . 27876 1 598 . 1 1 49 49 LEU HA H 1 3.780 0.020 . 1 . . . . . 49 LEU HA . 27876 1 599 . 1 1 49 49 LEU HB2 H 1 2.060 0.020 . 2 . . . . . 49 LEU HB2 . 27876 1 600 . 1 1 49 49 LEU HB3 H 1 1.076 0.020 . 2 . . . . . 49 LEU HB3 . 27876 1 601 . 1 1 49 49 LEU HG H 1 1.826 0.020 . 1 . . . . . 49 LEU HG . 27876 1 602 . 1 1 49 49 LEU HD11 H 1 0.572 0.020 . 2 . . . . . 49 LEU HD1 . 27876 1 603 . 1 1 49 49 LEU HD12 H 1 0.572 0.020 . 2 . . . . . 49 LEU HD1 . 27876 1 604 . 1 1 49 49 LEU HD13 H 1 0.572 0.020 . 2 . . . . . 49 LEU HD1 . 27876 1 605 . 1 1 49 49 LEU HD21 H 1 0.647 0.020 . 2 . . . . . 49 LEU HD2 . 27876 1 606 . 1 1 49 49 LEU HD22 H 1 0.647 0.020 . 2 . . . . . 49 LEU HD2 . 27876 1 607 . 1 1 49 49 LEU HD23 H 1 0.647 0.020 . 2 . . . . . 49 LEU HD2 . 27876 1 608 . 1 1 49 49 LEU C C 13 179.159 0.3 . 1 . . . . . 49 LEU C . 27876 1 609 . 1 1 49 49 LEU CA C 13 58.428 0.3 . 1 . . . . . 49 LEU CA . 27876 1 610 . 1 1 49 49 LEU CB C 13 41.987 0.3 . 1 . . . . . 49 LEU CB . 27876 1 611 . 1 1 49 49 LEU CG C 13 26.741 0.3 . 1 . . . . . 49 LEU CG . 27876 1 612 . 1 1 49 49 LEU CD1 C 13 26.496 0.3 . 1 . . . . . 49 LEU CD1 . 27876 1 613 . 1 1 49 49 LEU CD2 C 13 24.316 0.3 . 1 . . . . . 49 LEU CD2 . 27876 1 614 . 1 1 49 49 LEU N N 15 117.168 0.3 . 1 . . . . . 49 LEU N . 27876 1 615 . 1 1 50 50 VAL H H 1 7.728 0.020 . 1 . . . . . 50 VAL H . 27876 1 616 . 1 1 50 50 VAL HA H 1 4.118 0.020 . 1 . . . . . 50 VAL HA . 27876 1 617 . 1 1 50 50 VAL HB H 1 2.168 0.020 . 1 . . . . . 50 VAL HB . 27876 1 618 . 1 1 50 50 VAL HG11 H 1 1.019 0.020 . 2 . . . . . 50 VAL HG1 . 27876 1 619 . 1 1 50 50 VAL HG12 H 1 1.019 0.020 . 2 . . . . . 50 VAL HG1 . 27876 1 620 . 1 1 50 50 VAL HG13 H 1 1.019 0.020 . 2 . . . . . 50 VAL HG1 . 27876 1 621 . 1 1 50 50 VAL HG21 H 1 0.932 0.020 . 2 . . . . . 50 VAL HG2 . 27876 1 622 . 1 1 50 50 VAL HG22 H 1 0.932 0.020 . 2 . . . . . 50 VAL HG2 . 27876 1 623 . 1 1 50 50 VAL HG23 H 1 0.932 0.020 . 2 . . . . . 50 VAL HG2 . 27876 1 624 . 1 1 50 50 VAL C C 13 180.560 0.3 . 1 . . . . . 50 VAL C . 27876 1 625 . 1 1 50 50 VAL CA C 13 65.548 0.3 . 1 . . . . . 50 VAL CA . 27876 1 626 . 1 1 50 50 VAL CB C 13 31.999 0.3 . 1 . . . . . 50 VAL CB . 27876 1 627 . 1 1 50 50 VAL CG1 C 13 21.339 0.3 . 1 . . . . . 50 VAL CG1 . 27876 1 628 . 1 1 50 50 VAL CG2 C 13 22.179 0.3 . 1 . . . . . 50 VAL CG2 . 27876 1 629 . 1 1 50 50 VAL N N 15 118.037 0.3 . 1 . . . . . 50 VAL N . 27876 1 630 . 1 1 51 51 GLU H H 1 8.501 0.020 . 1 . . . . . 51 GLU H . 27876 1 631 . 1 1 51 51 GLU HA H 1 4.035 0.020 . 1 . . . . . 51 GLU HA . 27876 1 632 . 1 1 51 51 GLU HB2 H 1 2.182 0.020 . 2 . . . . . 51 GLU HB2 . 27876 1 633 . 1 1 51 51 GLU HB3 H 1 2.097 0.020 . 2 . . . . . 51 GLU HB3 . 27876 1 634 . 1 1 51 51 GLU HG2 H 1 2.484 0.020 . 2 . . . . . 51 GLU HG2 . 27876 1 635 . 1 1 51 51 GLU HG3 H 1 2.316 0.020 . 2 . . . . . 51 GLU HG3 . 27876 1 636 . 1 1 51 51 GLU C C 13 179.034 0.3 . 1 . . . . . 51 GLU C . 27876 1 637 . 1 1 51 51 GLU CA C 13 59.737 0.3 . 1 . . . . . 51 GLU CA . 27876 1 638 . 1 1 51 51 GLU CB C 13 29.534 0.3 . 1 . . . . . 51 GLU CB . 27876 1 639 . 1 1 51 51 GLU CG C 13 36.413 0.3 . 1 . . . . . 51 GLU CG . 27876 1 640 . 1 1 51 51 GLU N N 15 123.455 0.3 . 1 . . . . . 51 GLU N . 27876 1 641 . 1 1 52 52 LEU H H 1 8.236 0.020 . 1 . . . . . 52 LEU H . 27876 1 642 . 1 1 52 52 LEU HA H 1 4.338 0.020 . 1 . . . . . 52 LEU HA . 27876 1 643 . 1 1 52 52 LEU HB2 H 1 1.727 0.020 . 2 . . . . . 52 LEU HB2 . 27876 1 644 . 1 1 52 52 LEU HB3 H 1 1.670 0.020 . 2 . . . . . 52 LEU HB3 . 27876 1 645 . 1 1 52 52 LEU HG H 1 1.985 0.020 . 1 . . . . . 52 LEU HG . 27876 1 646 . 1 1 52 52 LEU HD11 H 1 0.809 0.020 . 2 . . . . . 52 LEU HD1 . 27876 1 647 . 1 1 52 52 LEU HD12 H 1 0.809 0.020 . 2 . . . . . 52 LEU HD1 . 27876 1 648 . 1 1 52 52 LEU HD13 H 1 0.809 0.020 . 2 . . . . . 52 LEU HD1 . 27876 1 649 . 1 1 52 52 LEU HD21 H 1 0.886 0.020 . 2 . . . . . 52 LEU HD2 . 27876 1 650 . 1 1 52 52 LEU HD22 H 1 0.886 0.020 . 2 . . . . . 52 LEU HD2 . 27876 1 651 . 1 1 52 52 LEU HD23 H 1 0.886 0.020 . 2 . . . . . 52 LEU HD2 . 27876 1 652 . 1 1 52 52 LEU C C 13 177.439 0.3 . 1 . . . . . 52 LEU C . 27876 1 653 . 1 1 52 52 LEU CA C 13 55.176 0.3 . 1 . . . . . 52 LEU CA . 27876 1 654 . 1 1 52 52 LEU CB C 13 42.848 0.3 . 1 . . . . . 52 LEU CB . 27876 1 655 . 1 1 52 52 LEU CG C 13 26.850 0.3 . 1 . . . . . 52 LEU CG . 27876 1 656 . 1 1 52 52 LEU CD1 C 13 25.700 0.3 . 1 . . . . . 52 LEU CD1 . 27876 1 657 . 1 1 52 52 LEU CD2 C 13 21.965 0.3 . 1 . . . . . 52 LEU CD2 . 27876 1 658 . 1 1 52 52 LEU N N 15 115.923 0.3 . 1 . . . . . 52 LEU N . 27876 1 659 . 1 1 53 53 GLY H H 1 7.983 0.020 . 1 . . . . . 53 GLY H . 27876 1 660 . 1 1 53 53 GLY HA2 H 1 4.083 0.020 . 2 . . . . . 53 GLY HA2 . 27876 1 661 . 1 1 53 53 GLY HA3 H 1 3.956 0.020 . 2 . . . . . 53 GLY HA3 . 27876 1 662 . 1 1 53 53 GLY C C 13 174.915 0.3 . 1 . . . . . 53 GLY C . 27876 1 663 . 1 1 53 53 GLY CA C 13 45.889 0.3 . 1 . . . . . 53 GLY CA . 27876 1 664 . 1 1 53 53 GLY N N 15 107.940 0.3 . 1 . . . . . 53 GLY N . 27876 1 665 . 1 1 54 54 LEU H H 1 8.202 0.020 . 1 . . . . . 54 LEU H . 27876 1 666 . 1 1 54 54 LEU HA H 1 4.273 0.020 . 1 . . . . . 54 LEU HA . 27876 1 667 . 1 1 54 54 LEU HB2 H 1 1.668 0.020 . 2 . . . . . 54 LEU HB2 . 27876 1 668 . 1 1 54 54 LEU HB3 H 1 1.436 0.020 . 2 . . . . . 54 LEU HB3 . 27876 1 669 . 1 1 54 54 LEU HG H 1 1.534 0.020 . 1 . . . . . 54 LEU HG . 27876 1 670 . 1 1 54 54 LEU HD11 H 1 0.886 0.020 . 2 . . . . . 54 LEU HD1 . 27876 1 671 . 1 1 54 54 LEU HD12 H 1 0.886 0.020 . 2 . . . . . 54 LEU HD1 . 27876 1 672 . 1 1 54 54 LEU HD13 H 1 0.886 0.020 . 2 . . . . . 54 LEU HD1 . 27876 1 673 . 1 1 54 54 LEU HD21 H 1 0.843 0.020 . 2 . . . . . 54 LEU HD2 . 27876 1 674 . 1 1 54 54 LEU HD22 H 1 0.843 0.020 . 2 . . . . . 54 LEU HD2 . 27876 1 675 . 1 1 54 54 LEU HD23 H 1 0.843 0.020 . 2 . . . . . 54 LEU HD2 . 27876 1 676 . 1 1 54 54 LEU C C 13 175.636 0.3 . 1 . . . . . 54 LEU C . 27876 1 677 . 1 1 54 54 LEU CA C 13 54.998 0.3 . 1 . . . . . 54 LEU CA . 27876 1 678 . 1 1 54 54 LEU CB C 13 43.525 0.3 . 1 . . . . . 54 LEU CB . 27876 1 679 . 1 1 54 54 LEU CG C 13 26.498 0.3 . 1 . . . . . 54 LEU CG . 27876 1 680 . 1 1 54 54 LEU CD1 C 13 26.169 0.3 . 1 . . . . . 54 LEU CD1 . 27876 1 681 . 1 1 54 54 LEU CD2 C 13 21.816 0.3 . 1 . . . . . 54 LEU CD2 . 27876 1 682 . 1 1 54 54 LEU N N 15 117.891 0.3 . 1 . . . . . 54 LEU N . 27876 1 683 . 1 1 55 55 ALA H H 1 7.220 0.020 . 1 . . . . . 55 ALA H . 27876 1 684 . 1 1 55 55 ALA HA H 1 4.625 0.020 . 1 . . . . . 55 ALA HA . 27876 1 685 . 1 1 55 55 ALA HB1 H 1 1.155 0.020 . 1 . . . . . 55 ALA HB . 27876 1 686 . 1 1 55 55 ALA HB2 H 1 1.155 0.020 . 1 . . . . . 55 ALA HB . 27876 1 687 . 1 1 55 55 ALA HB3 H 1 1.155 0.020 . 1 . . . . . 55 ALA HB . 27876 1 688 . 1 1 55 55 ALA C C 13 175.400 0.3 . 1 . . . . . 55 ALA C . 27876 1 689 . 1 1 55 55 ALA CA C 13 50.329 0.3 . 1 . . . . . 55 ALA CA . 27876 1 690 . 1 1 55 55 ALA CB C 13 22.522 0.3 . 1 . . . . . 55 ALA CB . 27876 1 691 . 1 1 55 55 ALA N N 15 116.433 0.3 . 1 . . . . . 55 ALA N . 27876 1 692 . 1 1 56 56 ARG H H 1 8.925 0.020 . 1 . . . . . 56 ARG H . 27876 1 693 . 1 1 56 56 ARG HA H 1 4.733 0.020 . 1 . . . . . 56 ARG HA . 27876 1 694 . 1 1 56 56 ARG HB2 H 1 1.656 0.020 . 2 . . . . . 56 ARG HB2 . 27876 1 695 . 1 1 56 56 ARG HB3 H 1 2.183 0.020 . 2 . . . . . 56 ARG HB3 . 27876 1 696 . 1 1 56 56 ARG HG2 H 1 1.806 0.020 . 2 . . . . . 56 ARG HG2 . 27876 1 697 . 1 1 56 56 ARG HG3 H 1 1.781 0.020 . 2 . . . . . 56 ARG HG3 . 27876 1 698 . 1 1 56 56 ARG HD2 H 1 3.278 0.020 . 1 . . . . . 56 ARG HD2 . 27876 1 699 . 1 1 56 56 ARG HD3 H 1 3.278 0.020 . 1 . . . . . 56 ARG HD3 . 27876 1 700 . 1 1 56 56 ARG C C 13 176.399 0.3 . 1 . . . . . 56 ARG C . 27876 1 701 . 1 1 56 56 ARG CA C 13 53.726 0.3 . 1 . . . . . 56 ARG CA . 27876 1 702 . 1 1 56 56 ARG CB C 13 29.383 0.3 . 1 . . . . . 56 ARG CB . 27876 1 703 . 1 1 56 56 ARG CG C 13 26.918 0.3 . 1 . . . . . 56 ARG CG . 27876 1 704 . 1 1 56 56 ARG CD C 13 43.225 0.3 . 1 . . . . . 56 ARG CD . 27876 1 705 . 1 1 56 56 ARG N N 15 119.653 0.3 . 1 . . . . . 56 ARG N . 27876 1 706 . 1 1 57 57 PRO HA H 1 4.057 0.020 . 1 . . . . . 57 PRO HA . 27876 1 707 . 1 1 57 57 PRO HB2 H 1 2.426 0.020 . 2 . . . . . 57 PRO HB2 . 27876 1 708 . 1 1 57 57 PRO HB3 H 1 2.041 0.020 . 2 . . . . . 57 PRO HB3 . 27876 1 709 . 1 1 57 57 PRO HG2 H 1 2.315 0.020 . 2 . . . . . 57 PRO HG2 . 27876 1 710 . 1 1 57 57 PRO HG3 H 1 2.146 0.020 . 2 . . . . . 57 PRO HG3 . 27876 1 711 . 1 1 57 57 PRO HD2 H 1 3.897 0.020 . 2 . . . . . 57 PRO HD2 . 27876 1 712 . 1 1 57 57 PRO HD3 H 1 3.946 0.020 . 2 . . . . . 57 PRO HD3 . 27876 1 713 . 1 1 57 57 PRO C C 13 179.034 0.3 . 1 . . . . . 57 PRO C . 27876 1 714 . 1 1 57 57 PRO CA C 13 66.212 0.3 . 1 . . . . . 57 PRO CA . 27876 1 715 . 1 1 57 57 PRO CB C 13 31.593 0.3 . 1 . . . . . 57 PRO CB . 27876 1 716 . 1 1 57 57 PRO CG C 13 27.889 0.3 . 1 . . . . . 57 PRO CG . 27876 1 717 . 1 1 57 57 PRO CD C 13 50.362 0.3 . 1 . . . . . 57 PRO CD . 27876 1 718 . 1 1 58 58 GLU H H 1 10.067 0.020 . 1 . . . . . 58 GLU H . 27876 1 719 . 1 1 58 58 GLU HA H 1 4.092 0.020 . 1 . . . . . 58 GLU HA . 27876 1 720 . 1 1 58 58 GLU HB2 H 1 2.027 0.020 . 2 . . . . . 58 GLU HB2 . 27876 1 721 . 1 1 58 58 GLU HB3 H 1 1.914 0.020 . 2 . . . . . 58 GLU HB3 . 27876 1 722 . 1 1 58 58 GLU HG2 H 1 2.329 0.020 . 1 . . . . . 58 GLU HG2 . 27876 1 723 . 1 1 58 58 GLU HG3 H 1 2.329 0.020 . 1 . . . . . 58 GLU HG3 . 27876 1 724 . 1 1 58 58 GLU C C 13 179.062 0.3 . 1 . . . . . 58 GLU C . 27876 1 725 . 1 1 58 58 GLU CA C 13 59.806 0.3 . 1 . . . . . 58 GLU CA . 27876 1 726 . 1 1 58 58 GLU CB C 13 28.370 0.3 . 1 . . . . . 58 GLU CB . 27876 1 727 . 1 1 58 58 GLU CG C 13 36.225 0.3 . 1 . . . . . 58 GLU CG . 27876 1 728 . 1 1 58 58 GLU N N 15 116.966 0.3 . 1 . . . . . 58 GLU N . 27876 1 729 . 1 1 59 59 ASP H H 1 7.233 0.020 . 1 . . . . . 59 ASP H . 27876 1 730 . 1 1 59 59 ASP HA H 1 4.501 0.020 . 1 . . . . . 59 ASP HA . 27876 1 731 . 1 1 59 59 ASP HB2 H 1 2.956 0.020 . 2 . . . . . 59 ASP HB2 . 27876 1 732 . 1 1 59 59 ASP HB3 H 1 2.456 0.020 . 2 . . . . . 59 ASP HB3 . 27876 1 733 . 1 1 59 59 ASP C C 13 178.951 0.3 . 1 . . . . . 59 ASP C . 27876 1 734 . 1 1 59 59 ASP CA C 13 56.871 0.3 . 1 . . . . . 59 ASP CA . 27876 1 735 . 1 1 59 59 ASP CB C 13 40.836 0.3 . 1 . . . . . 59 ASP CB . 27876 1 736 . 1 1 59 59 ASP N N 15 119.454 0.3 . 1 . . . . . 59 ASP N . 27876 1 737 . 1 1 60 60 VAL H H 1 7.421 0.020 . 1 . . . . . 60 VAL H . 27876 1 738 . 1 1 60 60 VAL HA H 1 3.316 0.020 . 1 . . . . . 60 VAL HA . 27876 1 739 . 1 1 60 60 VAL HB H 1 2.129 0.020 . 1 . . . . . 60 VAL HB . 27876 1 740 . 1 1 60 60 VAL HG11 H 1 0.742 0.020 . 2 . . . . . 60 VAL HG1 . 27876 1 741 . 1 1 60 60 VAL HG12 H 1 0.742 0.020 . 2 . . . . . 60 VAL HG1 . 27876 1 742 . 1 1 60 60 VAL HG13 H 1 0.742 0.020 . 2 . . . . . 60 VAL HG1 . 27876 1 743 . 1 1 60 60 VAL HG21 H 1 0.858 0.020 . 2 . . . . . 60 VAL HG2 . 27876 1 744 . 1 1 60 60 VAL HG22 H 1 0.858 0.020 . 2 . . . . . 60 VAL HG2 . 27876 1 745 . 1 1 60 60 VAL HG23 H 1 0.858 0.020 . 2 . . . . . 60 VAL HG2 . 27876 1 746 . 1 1 60 60 VAL C C 13 176.732 0.3 . 1 . . . . . 60 VAL C . 27876 1 747 . 1 1 60 60 VAL CA C 13 67.449 0.3 . 1 . . . . . 60 VAL CA . 27876 1 748 . 1 1 60 60 VAL CB C 13 31.659 0.3 . 1 . . . . . 60 VAL CB . 27876 1 749 . 1 1 60 60 VAL CG1 C 13 21.299 0.3 . 1 . . . . . 60 VAL CG1 . 27876 1 750 . 1 1 60 60 VAL CG2 C 13 22.861 0.3 . 1 . . . . . 60 VAL CG2 . 27876 1 751 . 1 1 60 60 VAL N N 15 121.435 0.3 . 1 . . . . . 60 VAL N . 27876 1 752 . 1 1 61 61 GLU H H 1 8.137 0.020 . 1 . . . . . 61 GLU H . 27876 1 753 . 1 1 61 61 GLU HA H 1 3.912 0.020 . 1 . . . . . 61 GLU HA . 27876 1 754 . 1 1 61 61 GLU HB2 H 1 2.003 0.020 . 1 . . . . . 61 GLU HB2 . 27876 1 755 . 1 1 61 61 GLU HB3 H 1 2.003 0.020 . 1 . . . . . 61 GLU HB3 . 27876 1 756 . 1 1 61 61 GLU HG2 H 1 2.274 0.020 . 1 . . . . . 61 GLU HG2 . 27876 1 757 . 1 1 61 61 GLU HG3 H 1 2.274 0.020 . 1 . . . . . 61 GLU HG3 . 27876 1 758 . 1 1 61 61 GLU C C 13 178.979 0.3 . 1 . . . . . 61 GLU C . 27876 1 759 . 1 1 61 61 GLU CA C 13 59.627 0.3 . 1 . . . . . 61 GLU CA . 27876 1 760 . 1 1 61 61 GLU CB C 13 29.215 0.3 . 1 . . . . . 61 GLU CB . 27876 1 761 . 1 1 61 61 GLU CG C 13 35.762 0.3 . 1 . . . . . 61 GLU CG . 27876 1 762 . 1 1 61 61 GLU N N 15 118.216 0.3 . 1 . . . . . 61 GLU N . 27876 1 763 . 1 1 62 62 GLU H H 1 7.688 0.020 . 1 . . . . . 62 GLU H . 27876 1 764 . 1 1 62 62 GLU HA H 1 3.991 0.020 . 1 . . . . . 62 GLU HA . 27876 1 765 . 1 1 62 62 GLU HB2 H 1 2.125 0.020 . 1 . . . . . 62 GLU HB2 . 27876 1 766 . 1 1 62 62 GLU HB3 H 1 2.125 0.020 . 1 . . . . . 62 GLU HB3 . 27876 1 767 . 1 1 62 62 GLU HG2 H 1 2.425 0.020 . 2 . . . . . 62 GLU HG2 . 27876 1 768 . 1 1 62 62 GLU HG3 H 1 2.225 0.020 . 2 . . . . . 62 GLU HG3 . 27876 1 769 . 1 1 62 62 GLU C C 13 178.624 0.3 . 1 . . . . . 62 GLU C . 27876 1 770 . 1 1 62 62 GLU CA C 13 59.486 0.3 . 1 . . . . . 62 GLU CA . 27876 1 771 . 1 1 62 62 GLU CB C 13 29.275 0.3 . 1 . . . . . 62 GLU CB . 27876 1 772 . 1 1 62 62 GLU CG C 13 36.053 0.3 . 1 . . . . . 62 GLU CG . 27876 1 773 . 1 1 62 62 GLU N N 15 118.510 0.3 . 1 . . . . . 62 GLU N . 27876 1 774 . 1 1 63 63 ALA H H 1 7.751 0.020 . 1 . . . . . 63 ALA H . 27876 1 775 . 1 1 63 63 ALA HA H 1 3.989 0.020 . 1 . . . . . 63 ALA HA . 27876 1 776 . 1 1 63 63 ALA HB1 H 1 1.328 0.020 . 1 . . . . . 63 ALA HB . 27876 1 777 . 1 1 63 63 ALA HB2 H 1 1.328 0.020 . 1 . . . . . 63 ALA HB . 27876 1 778 . 1 1 63 63 ALA HB3 H 1 1.328 0.020 . 1 . . . . . 63 ALA HB . 27876 1 779 . 1 1 63 63 ALA C C 13 179.561 0.3 . 1 . . . . . 63 ALA C . 27876 1 780 . 1 1 63 63 ALA CA C 13 55.071 0.3 . 1 . . . . . 63 ALA CA . 27876 1 781 . 1 1 63 63 ALA CB C 13 18.815 0.3 . 1 . . . . . 63 ALA CB . 27876 1 782 . 1 1 63 63 ALA N N 15 122.265 0.3 . 1 . . . . . 63 ALA N . 27876 1 783 . 1 1 64 64 LEU H H 1 8.258 0.020 . 1 . . . . . 64 LEU H . 27876 1 784 . 1 1 64 64 LEU HA H 1 3.905 0.020 . 1 . . . . . 64 LEU HA . 27876 1 785 . 1 1 64 64 LEU HB2 H 1 1.902 0.020 . 2 . . . . . 64 LEU HB2 . 27876 1 786 . 1 1 64 64 LEU HB3 H 1 1.309 0.020 . 2 . . . . . 64 LEU HB3 . 27876 1 787 . 1 1 64 64 LEU HG H 1 1.530 0.020 . 1 . . . . . 64 LEU HG . 27876 1 788 . 1 1 64 64 LEU HD11 H 1 0.416 0.020 . 2 . . . . . 64 LEU HD1 . 27876 1 789 . 1 1 64 64 LEU HD12 H 1 0.416 0.020 . 2 . . . . . 64 LEU HD1 . 27876 1 790 . 1 1 64 64 LEU HD13 H 1 0.416 0.020 . 2 . . . . . 64 LEU HD1 . 27876 1 791 . 1 1 64 64 LEU HD21 H 1 0.367 0.020 . 2 . . . . . 64 LEU HD2 . 27876 1 792 . 1 1 64 64 LEU HD22 H 1 0.367 0.020 . 2 . . . . . 64 LEU HD2 . 27876 1 793 . 1 1 64 64 LEU HD23 H 1 0.367 0.020 . 2 . . . . . 64 LEU HD2 . 27876 1 794 . 1 1 64 64 LEU C C 13 180.310 0.3 . 1 . . . . . 64 LEU C . 27876 1 795 . 1 1 64 64 LEU CA C 13 57.671 0.3 . 1 . . . . . 64 LEU CA . 27876 1 796 . 1 1 64 64 LEU CB C 13 41.271 0.3 . 1 . . . . . 64 LEU CB . 27876 1 797 . 1 1 64 64 LEU CG C 13 26.120 0.3 . 1 . . . . . 64 LEU CG . 27876 1 798 . 1 1 64 64 LEU CD1 C 13 25.280 0.3 . 1 . . . . . 64 LEU CD1 . 27876 1 799 . 1 1 64 64 LEU CD2 C 13 22.946 0.3 . 1 . . . . . 64 LEU CD2 . 27876 1 800 . 1 1 64 64 LEU N N 15 118.438 0.3 . 1 . . . . . 64 LEU N . 27876 1 801 . 1 1 65 65 GLN H H 1 7.838 0.020 . 1 . . . . . 65 GLN H . 27876 1 802 . 1 1 65 65 GLN HA H 1 4.038 0.020 . 1 . . . . . 65 GLN HA . 27876 1 803 . 1 1 65 65 GLN HB2 H 1 2.155 0.020 . 2 . . . . . 65 GLN HB2 . 27876 1 804 . 1 1 65 65 GLN HB3 H 1 2.228 0.020 . 2 . . . . . 65 GLN HB3 . 27876 1 805 . 1 1 65 65 GLN HG2 H 1 2.535 0.020 . 2 . . . . . 65 GLN HG2 . 27876 1 806 . 1 1 65 65 GLN HG3 H 1 2.428 0.020 . 2 . . . . . 65 GLN HG3 . 27876 1 807 . 1 1 65 65 GLN C C 13 178.895 0.3 . 1 . . . . . 65 GLN C . 27876 1 808 . 1 1 65 65 GLN CA C 13 58.789 0.3 . 1 . . . . . 65 GLN CA . 27876 1 809 . 1 1 65 65 GLN CB C 13 27.885 0.3 . 1 . . . . . 65 GLN CB . 27876 1 810 . 1 1 65 65 GLN CG C 13 33.711 0.3 . 1 . . . . . 65 GLN CG . 27876 1 811 . 1 1 65 65 GLN N N 15 118.736 0.3 . 1 . . . . . 65 GLN N . 27876 1 812 . 1 1 66 66 LYS H H 1 7.980 0.020 . 1 . . . . . 66 LYS H . 27876 1 813 . 1 1 66 66 LYS HA H 1 3.969 0.020 . 1 . . . . . 66 LYS HA . 27876 1 814 . 1 1 66 66 LYS HB2 H 1 1.946 0.020 . 2 . . . . . 66 LYS HB2 . 27876 1 815 . 1 1 66 66 LYS HB3 H 1 1.868 0.020 . 2 . . . . . 66 LYS HB3 . 27876 1 816 . 1 1 66 66 LYS HG2 H 1 1.409 0.020 . 2 . . . . . 66 LYS HG2 . 27876 1 817 . 1 1 66 66 LYS HG3 H 1 1.384 0.020 . 2 . . . . . 66 LYS HG3 . 27876 1 818 . 1 1 66 66 LYS HD2 H 1 1.590 0.020 . 2 . . . . . 66 LYS HD2 . 27876 1 819 . 1 1 66 66 LYS HD3 H 1 1.563 0.020 . 2 . . . . . 66 LYS HD3 . 27876 1 820 . 1 1 66 66 LYS HE2 H 1 2.921 0.020 . 1 . . . . . 66 LYS HE2 . 27876 1 821 . 1 1 66 66 LYS HE3 H 1 2.921 0.020 . 1 . . . . . 66 LYS HE3 . 27876 1 822 . 1 1 66 66 LYS C C 13 179.325 0.3 . 1 . . . . . 66 LYS C . 27876 1 823 . 1 1 66 66 LYS CA C 13 59.398 0.3 . 1 . . . . . 66 LYS CA . 27876 1 824 . 1 1 66 66 LYS CB C 13 32.321 0.3 . 1 . . . . . 66 LYS CB . 27876 1 825 . 1 1 66 66 LYS CG C 13 25.810 0.3 . 1 . . . . . 66 LYS CG . 27876 1 826 . 1 1 66 66 LYS CD C 13 29.675 0.3 . 1 . . . . . 66 LYS CD . 27876 1 827 . 1 1 66 66 LYS CE C 13 42.182 0.3 . 1 . . . . . 66 LYS CE . 27876 1 828 . 1 1 66 66 LYS N N 15 120.047 0.3 . 1 . . . . . 66 LYS N . 27876 1 829 . 1 1 67 67 GLN H H 1 8.173 0.020 . 1 . . . . . 67 GLN H . 27876 1 830 . 1 1 67 67 GLN HA H 1 4.057 0.020 . 1 . . . . . 67 GLN HA . 27876 1 831 . 1 1 67 67 GLN HB2 H 1 2.158 0.020 . 1 . . . . . 67 GLN HB2 . 27876 1 832 . 1 1 67 67 GLN HB3 H 1 2.158 0.020 . 1 . . . . . 67 GLN HB3 . 27876 1 833 . 1 1 67 67 GLN HG2 H 1 2.458 0.020 . 2 . . . . . 67 GLN HG2 . 27876 1 834 . 1 1 67 67 GLN HG3 H 1 2.066 0.020 . 2 . . . . . 67 GLN HG3 . 27876 1 835 . 1 1 67 67 GLN HE21 H 1 8.026 0.020 . 1 . . . . . 67 GLN HE21 . 27876 1 836 . 1 1 67 67 GLN HE22 H 1 7.905 0.020 . 1 . . . . . 67 GLN HE22 . 27876 1 837 . 1 1 67 67 GLN C C 13 177.467 0.3 . 1 . . . . . 67 GLN C . 27876 1 838 . 1 1 67 67 GLN CA C 13 58.473 0.3 . 1 . . . . . 67 GLN CA . 27876 1 839 . 1 1 67 67 GLN CB C 13 29.933 0.3 . 1 . . . . . 67 GLN CB . 27876 1 840 . 1 1 67 67 GLN CG C 13 34.373 0.3 . 1 . . . . . 67 GLN CG . 27876 1 841 . 1 1 67 67 GLN N N 15 118.572 0.3 . 1 . . . . . 67 GLN N . 27876 1 842 . 1 1 67 67 GLN NE2 N 15 115.213 0.3 . 1 . . . . . 67 GLN NE2 . 27876 1 843 . 1 1 68 68 ARG H H 1 7.681 0.020 . 1 . . . . . 68 ARG H . 27876 1 844 . 1 1 68 68 ARG HA H 1 4.217 0.020 . 1 . . . . . 68 ARG HA . 27876 1 845 . 1 1 68 68 ARG HB2 H 1 1.972 0.020 . 2 . . . . . 68 ARG HB2 . 27876 1 846 . 1 1 68 68 ARG HB3 H 1 1.900 0.020 . 2 . . . . . 68 ARG HB3 . 27876 1 847 . 1 1 68 68 ARG HG2 H 1 1.817 0.020 . 2 . . . . . 68 ARG HG2 . 27876 1 848 . 1 1 68 68 ARG HG3 H 1 1.711 0.020 . 2 . . . . . 68 ARG HG3 . 27876 1 849 . 1 1 68 68 ARG HD2 H 1 3.219 0.020 . 2 . . . . . 68 ARG HD2 . 27876 1 850 . 1 1 68 68 ARG HD3 H 1 3.184 0.020 . 2 . . . . . 68 ARG HD3 . 27876 1 851 . 1 1 68 68 ARG C C 13 177.314 0.3 . 1 . . . . . 68 ARG C . 27876 1 852 . 1 1 68 68 ARG CA C 13 57.617 0.3 . 1 . . . . . 68 ARG CA . 27876 1 853 . 1 1 68 68 ARG CB C 13 30.401 0.3 . 1 . . . . . 68 ARG CB . 27876 1 854 . 1 1 68 68 ARG CG C 13 27.623 0.3 . 1 . . . . . 68 ARG CG . 27876 1 855 . 1 1 68 68 ARG CD C 13 43.773 0.3 . 1 . . . . . 68 ARG CD . 27876 1 856 . 1 1 68 68 ARG N N 15 117.452 0.3 . 1 . . . . . 68 ARG N . 27876 1 857 . 1 1 69 69 ARG H H 1 7.841 0.020 . 1 . . . . . 69 ARG H . 27876 1 858 . 1 1 69 69 ARG HA H 1 4.299 0.020 . 1 . . . . . 69 ARG HA . 27876 1 859 . 1 1 69 69 ARG HB2 H 1 1.946 0.020 . 2 . . . . . 69 ARG HB2 . 27876 1 860 . 1 1 69 69 ARG HB3 H 1 1.872 0.020 . 2 . . . . . 69 ARG HB3 . 27876 1 861 . 1 1 69 69 ARG HG2 H 1 1.752 0.020 . 2 . . . . . 69 ARG HG2 . 27876 1 862 . 1 1 69 69 ARG HG3 H 1 1.675 0.020 . 2 . . . . . 69 ARG HG3 . 27876 1 863 . 1 1 69 69 ARG HD2 H 1 3.195 0.020 . 1 . . . . . 69 ARG HD2 . 27876 1 864 . 1 1 69 69 ARG HD3 H 1 3.195 0.020 . 1 . . . . . 69 ARG HD3 . 27876 1 865 . 1 1 69 69 ARG C C 13 177.244 0.3 . 1 . . . . . 69 ARG C . 27876 1 866 . 1 1 69 69 ARG CA C 13 56.976 0.3 . 1 . . . . . 69 ARG CA . 27876 1 867 . 1 1 69 69 ARG CB C 13 30.626 0.3 . 1 . . . . . 69 ARG CB . 27876 1 868 . 1 1 69 69 ARG CG C 13 27.360 0.3 . 1 . . . . . 69 ARG CG . 27876 1 869 . 1 1 69 69 ARG CD C 13 43.569 0.3 . 1 . . . . . 69 ARG CD . 27876 1 870 . 1 1 69 69 ARG N N 15 118.990 0.3 . 1 . . . . . 69 ARG N . 27876 1 871 . 1 1 70 70 GLY H H 1 8.105 0.020 . 1 . . . . . 70 GLY H . 27876 1 872 . 1 1 70 70 GLY HA2 H 1 3.988 0.020 . 1 . . . . . 70 GLY HA2 . 27876 1 873 . 1 1 70 70 GLY HA3 H 1 3.988 0.020 . 1 . . . . . 70 GLY HA3 . 27876 1 874 . 1 1 70 70 GLY C C 13 174.679 0.3 . 1 . . . . . 70 GLY C . 27876 1 875 . 1 1 70 70 GLY CA C 13 45.716 0.3 . 1 . . . . . 70 GLY CA . 27876 1 876 . 1 1 70 70 GLY N N 15 108.149 0.3 . 1 . . . . . 70 GLY N . 27876 1 877 . 1 1 71 71 GLY H H 1 8.061 0.020 . 1 . . . . . 71 GLY H . 27876 1 878 . 1 1 71 71 GLY HA2 H 1 3.984 0.020 . 1 . . . . . 71 GLY HA2 . 27876 1 879 . 1 1 71 71 GLY HA3 H 1 3.984 0.020 . 1 . . . . . 71 GLY HA3 . 27876 1 880 . 1 1 71 71 GLY C C 13 174.555 0.3 . 1 . . . . . 71 GLY C . 27876 1 881 . 1 1 71 71 GLY CA C 13 45.446 0.3 . 1 . . . . . 71 GLY CA . 27876 1 882 . 1 1 71 71 GLY N N 15 108.159 0.3 . 1 . . . . . 71 GLY N . 27876 1 883 . 1 1 72 72 GLY H H 1 8.196 0.020 . 1 . . . . . 72 GLY H . 27876 1 884 . 1 1 72 72 GLY HA2 H 1 3.951 0.020 . 1 . . . . . 72 GLY HA2 . 27876 1 885 . 1 1 72 72 GLY HA3 H 1 3.951 0.020 . 1 . . . . . 72 GLY HA3 . 27876 1 886 . 1 1 72 72 GLY C C 13 173.930 0.3 . 1 . . . . . 72 GLY C . 27876 1 887 . 1 1 72 72 GLY CA C 13 45.349 0.3 . 1 . . . . . 72 GLY CA . 27876 1 888 . 1 1 72 72 GLY N N 15 108.349 0.3 . 1 . . . . . 72 GLY N . 27876 1 889 . 1 1 73 73 ARG H H 1 8.161 0.020 . 1 . . . . . 73 ARG H . 27876 1 890 . 1 1 73 73 ARG HA H 1 4.378 0.020 . 1 . . . . . 73 ARG HA . 27876 1 891 . 1 1 73 73 ARG HB2 H 1 1.890 0.020 . 2 . . . . . 73 ARG HB2 . 27876 1 892 . 1 1 73 73 ARG HB3 H 1 1.752 0.020 . 2 . . . . . 73 ARG HB3 . 27876 1 893 . 1 1 73 73 ARG HG2 H 1 1.611 0.020 . 1 . . . . . 73 ARG HG2 . 27876 1 894 . 1 1 73 73 ARG HG3 H 1 1.611 0.020 . 1 . . . . . 73 ARG HG3 . 27876 1 895 . 1 1 73 73 ARG HD2 H 1 3.188 0.020 . 1 . . . . . 73 ARG HD2 . 27876 1 896 . 1 1 73 73 ARG HD3 H 1 3.188 0.020 . 1 . . . . . 73 ARG HD3 . 27876 1 897 . 1 1 73 73 ARG C C 13 176.565 0.3 . 1 . . . . . 73 ARG C . 27876 1 898 . 1 1 73 73 ARG CA C 13 55.961 0.3 . 1 . . . . . 73 ARG CA . 27876 1 899 . 1 1 73 73 ARG CB C 13 30.923 0.3 . 1 . . . . . 73 ARG CB . 27876 1 900 . 1 1 73 73 ARG CG C 13 27.161 0.3 . 1 . . . . . 73 ARG CG . 27876 1 901 . 1 1 73 73 ARG CD C 13 43.437 0.3 . 1 . . . . . 73 ARG CD . 27876 1 902 . 1 1 73 73 ARG N N 15 120.228 0.3 . 1 . . . . . 73 ARG N . 27876 1 903 . 1 1 74 74 LEU H H 1 8.327 0.020 . 1 . . . . . 74 LEU H . 27876 1 904 . 1 1 74 74 LEU HA H 1 4.272 0.020 . 1 . . . . . 74 LEU HA . 27876 1 905 . 1 1 74 74 LEU HB2 H 1 1.632 0.020 . 2 . . . . . 74 LEU HB2 . 27876 1 906 . 1 1 74 74 LEU HB3 H 1 1.592 0.020 . 2 . . . . . 74 LEU HB3 . 27876 1 907 . 1 1 74 74 LEU HG H 1 1.602 0.020 . 1 . . . . . 74 LEU HG . 27876 1 908 . 1 1 74 74 LEU HD11 H 1 0.896 0.020 . 2 . . . . . 74 LEU HD1 . 27876 1 909 . 1 1 74 74 LEU HD12 H 1 0.896 0.020 . 2 . . . . . 74 LEU HD1 . 27876 1 910 . 1 1 74 74 LEU HD13 H 1 0.896 0.020 . 2 . . . . . 74 LEU HD1 . 27876 1 911 . 1 1 74 74 LEU HD21 H 1 0.862 0.020 . 2 . . . . . 74 LEU HD2 . 27876 1 912 . 1 1 74 74 LEU HD22 H 1 0.862 0.020 . 2 . . . . . 74 LEU HD2 . 27876 1 913 . 1 1 74 74 LEU HD23 H 1 0.862 0.020 . 2 . . . . . 74 LEU HD2 . 27876 1 914 . 1 1 74 74 LEU C C 13 177.647 0.3 . 1 . . . . . 74 LEU C . 27876 1 915 . 1 1 74 74 LEU CA C 13 55.863 0.3 . 1 . . . . . 74 LEU CA . 27876 1 916 . 1 1 74 74 LEU CB C 13 42.186 0.3 . 1 . . . . . 74 LEU CB . 27876 1 917 . 1 1 74 74 LEU CG C 13 27.227 0.3 . 1 . . . . . 74 LEU CG . 27876 1 918 . 1 1 74 74 LEU CD1 C 13 24.779 0.3 . 1 . . . . . 74 LEU CD1 . 27876 1 919 . 1 1 74 74 LEU CD2 C 13 23.985 0.3 . 1 . . . . . 74 LEU CD2 . 27876 1 920 . 1 1 74 74 LEU N N 15 123.885 0.3 . 1 . . . . . 74 LEU N . 27876 1 921 . 1 1 75 75 GLU H H 1 8.607 0.020 . 1 . . . . . 75 GLU H . 27876 1 922 . 1 1 75 75 GLU HA H 1 4.203 0.020 . 1 . . . . . 75 GLU HA . 27876 1 923 . 1 1 75 75 GLU HB2 H 1 2.040 0.020 . 1 . . . . . 75 GLU HB2 . 27876 1 924 . 1 1 75 75 GLU HB3 H 1 2.040 0.020 . 1 . . . . . 75 GLU HB3 . 27876 1 925 . 1 1 75 75 GLU HG2 H 1 2.261 0.020 . 1 . . . . . 75 GLU HG2 . 27876 1 926 . 1 1 75 75 GLU HG3 H 1 2.261 0.020 . 1 . . . . . 75 GLU HG3 . 27876 1 927 . 1 1 75 75 GLU C C 13 176.455 0.3 . 1 . . . . . 75 GLU C . 27876 1 928 . 1 1 75 75 GLU CA C 13 57.393 0.3 . 1 . . . . . 75 GLU CA . 27876 1 929 . 1 1 75 75 GLU CB C 13 30.004 0.3 . 1 . . . . . 75 GLU CB . 27876 1 930 . 1 1 75 75 GLU CG C 13 36.358 0.3 . 1 . . . . . 75 GLU CG . 27876 1 931 . 1 1 75 75 GLU N N 15 120.429 0.3 . 1 . . . . . 75 GLU N . 27876 1 932 . 1 1 76 76 ASP H H 1 8.092 0.020 . 1 . . . . . 76 ASP H . 27876 1 933 . 1 1 76 76 ASP HA H 1 4.610 0.020 . 1 . . . . . 76 ASP HA . 27876 1 934 . 1 1 76 76 ASP HB2 H 1 2.667 0.020 . 2 . . . . . 76 ASP HB2 . 27876 1 935 . 1 1 76 76 ASP HB3 H 1 2.730 0.020 . 2 . . . . . 76 ASP HB3 . 27876 1 936 . 1 1 76 76 ASP C C 13 176.813 0.3 . 1 . . . . . 76 ASP C . 27876 1 937 . 1 1 76 76 ASP CA C 13 55.062 0.3 . 1 . . . . . 76 ASP CA . 27876 1 938 . 1 1 76 76 ASP CB C 13 41.193 0.3 . 1 . . . . . 76 ASP CB . 27876 1 939 . 1 1 76 76 ASP N N 15 120.405 0.3 . 1 . . . . . 76 ASP N . 27876 1 940 . 1 1 77 77 THR H H 1 7.949 0.020 . 1 . . . . . 77 THR H . 27876 1 941 . 1 1 77 77 THR HA H 1 4.254 0.020 . 1 . . . . . 77 THR HA . 27876 1 942 . 1 1 77 77 THR HB H 1 4.253 0.020 . 1 . . . . . 77 THR HB . 27876 1 943 . 1 1 77 77 THR HG21 H 1 1.203 0.020 . 1 . . . . . 77 THR HG2 . 27876 1 944 . 1 1 77 77 THR HG22 H 1 1.203 0.020 . 1 . . . . . 77 THR HG2 . 27876 1 945 . 1 1 77 77 THR HG23 H 1 1.203 0.020 . 1 . . . . . 77 THR HG2 . 27876 1 946 . 1 1 77 77 THR C C 13 174.929 0.3 . 1 . . . . . 77 THR C . 27876 1 947 . 1 1 77 77 THR CA C 13 62.663 0.3 . 1 . . . . . 77 THR CA . 27876 1 948 . 1 1 77 77 THR CB C 13 69.529 0.3 . 1 . . . . . 77 THR CB . 27876 1 949 . 1 1 77 77 THR CG2 C 13 21.764 0.3 . 1 . . . . . 77 THR CG2 . 27876 1 950 . 1 1 77 77 THR N N 15 113.275 0.3 . 1 . . . . . 77 THR N . 27876 1 951 . 1 1 78 78 LEU H H 1 8.018 0.020 . 1 . . . . . 78 LEU H . 27876 1 952 . 1 1 78 78 LEU HA H 1 4.328 0.020 . 1 . . . . . 78 LEU HA . 27876 1 953 . 1 1 78 78 LEU HB2 H 1 1.710 0.020 . 2 . . . . . 78 LEU HB2 . 27876 1 954 . 1 1 78 78 LEU HB3 H 1 1.576 0.020 . 2 . . . . . 78 LEU HB3 . 27876 1 955 . 1 1 78 78 LEU HG H 1 1.611 0.020 . 1 . . . . . 78 LEU HG . 27876 1 956 . 1 1 78 78 LEU HD11 H 1 0.900 0.020 . 2 . . . . . 78 LEU HD1 . 27876 1 957 . 1 1 78 78 LEU HD12 H 1 0.900 0.020 . 2 . . . . . 78 LEU HD1 . 27876 1 958 . 1 1 78 78 LEU HD13 H 1 0.900 0.020 . 2 . . . . . 78 LEU HD1 . 27876 1 959 . 1 1 78 78 LEU HD21 H 1 0.844 0.020 . 2 . . . . . 78 LEU HD2 . 27876 1 960 . 1 1 78 78 LEU HD22 H 1 0.844 0.020 . 2 . . . . . 78 LEU HD2 . 27876 1 961 . 1 1 78 78 LEU HD23 H 1 0.844 0.020 . 2 . . . . . 78 LEU HD2 . 27876 1 962 . 1 1 78 78 LEU C C 13 177.620 0.3 . 1 . . . . . 78 LEU C . 27876 1 963 . 1 1 78 78 LEU CA C 13 55.914 0.3 . 1 . . . . . 78 LEU CA . 27876 1 964 . 1 1 78 78 LEU CB C 13 42.186 0.3 . 1 . . . . . 78 LEU CB . 27876 1 965 . 1 1 78 78 LEU CG C 13 27.029 0.3 . 1 . . . . . 78 LEU CG . 27876 1 966 . 1 1 78 78 LEU CD1 C 13 24.978 0.3 . 1 . . . . . 78 LEU CD1 . 27876 1 967 . 1 1 78 78 LEU CD2 C 13 23.655 0.3 . 1 . . . . . 78 LEU CD2 . 27876 1 968 . 1 1 78 78 LEU N N 15 123.353 0.3 . 1 . . . . . 78 LEU N . 27876 1 969 . 1 1 79 79 VAL H H 1 7.874 0.020 . 1 . . . . . 79 VAL H . 27876 1 970 . 1 1 79 79 VAL HA H 1 4.064 0.020 . 1 . . . . . 79 VAL HA . 27876 1 971 . 1 1 79 79 VAL HB H 1 2.096 0.020 . 1 . . . . . 79 VAL HB . 27876 1 972 . 1 1 79 79 VAL HG11 H 1 0.951 0.020 . 2 . . . . . 79 VAL HG1 . 27876 1 973 . 1 1 79 79 VAL HG12 H 1 0.951 0.020 . 2 . . . . . 79 VAL HG1 . 27876 1 974 . 1 1 79 79 VAL HG13 H 1 0.951 0.020 . 2 . . . . . 79 VAL HG1 . 27876 1 975 . 1 1 79 79 VAL HG21 H 1 0.926 0.020 . 2 . . . . . 79 VAL HG2 . 27876 1 976 . 1 1 79 79 VAL HG22 H 1 0.926 0.020 . 2 . . . . . 79 VAL HG2 . 27876 1 977 . 1 1 79 79 VAL HG23 H 1 0.926 0.020 . 2 . . . . . 79 VAL HG2 . 27876 1 978 . 1 1 79 79 VAL C C 13 176.552 0.3 . 1 . . . . . 79 VAL C . 27876 1 979 . 1 1 79 79 VAL CA C 13 62.920 0.3 . 1 . . . . . 79 VAL CA . 27876 1 980 . 1 1 79 79 VAL CB C 13 32.430 0.3 . 1 . . . . . 79 VAL CB . 27876 1 981 . 1 1 79 79 VAL CG1 C 13 21.207 0.3 . 1 . . . . . 79 VAL CG1 . 27876 1 982 . 1 1 79 79 VAL CG2 C 13 20.920 0.3 . 1 . . . . . 79 VAL CG2 . 27876 1 983 . 1 1 79 79 VAL N N 15 119.903 0.3 . 1 . . . . . 79 VAL N . 27876 1 984 . 1 1 80 80 GLN H H 1 8.262 0.020 . 1 . . . . . 80 GLN H . 27876 1 985 . 1 1 80 80 GLN HA H 1 4.336 0.020 . 1 . . . . . 80 GLN HA . 27876 1 986 . 1 1 80 80 GLN HB2 H 1 2.150 0.020 . 2 . . . . . 80 GLN HB2 . 27876 1 987 . 1 1 80 80 GLN HB3 H 1 1.999 0.020 . 2 . . . . . 80 GLN HB3 . 27876 1 988 . 1 1 80 80 GLN HG2 H 1 2.379 0.020 . 1 . . . . . 80 GLN HG2 . 27876 1 989 . 1 1 80 80 GLN HG3 H 1 2.379 0.020 . 1 . . . . . 80 GLN HG3 . 27876 1 990 . 1 1 80 80 GLN C C 13 176.191 0.3 . 1 . . . . . 80 GLN C . 27876 1 991 . 1 1 80 80 GLN CA C 13 56.280 0.3 . 1 . . . . . 80 GLN CA . 27876 1 992 . 1 1 80 80 GLN CB C 13 29.209 0.3 . 1 . . . . . 80 GLN CB . 27876 1 993 . 1 1 80 80 GLN CG C 13 33.976 0.3 . 1 . . . . . 80 GLN CG . 27876 1 994 . 1 1 80 80 GLN N N 15 122.636 0.3 . 1 . . . . . 80 GLN N . 27876 1 995 . 1 1 81 81 SER H H 1 8.153 0.020 . 1 . . . . . 81 SER H . 27876 1 996 . 1 1 81 81 SER HA H 1 4.399 0.020 . 1 . . . . . 81 SER HA . 27876 1 997 . 1 1 81 81 SER HB2 H 1 3.924 0.020 . 2 . . . . . 81 SER HB2 . 27876 1 998 . 1 1 81 81 SER HB3 H 1 3.894 0.020 . 2 . . . . . 81 SER HB3 . 27876 1 999 . 1 1 81 81 SER C C 13 175.168 0.3 . 1 . . . . . 81 SER C . 27876 1 1000 . 1 1 81 81 SER CA C 13 58.909 0.3 . 1 . . . . . 81 SER CA . 27876 1 1001 . 1 1 81 81 SER CB C 13 63.846 0.3 . 1 . . . . . 81 SER CB . 27876 1 1002 . 1 1 81 81 SER N N 15 115.947 0.3 . 1 . . . . . 81 SER N . 27876 1 1003 . 1 1 82 82 GLY H H 1 8.287 0.020 . 1 . . . . . 82 GLY H . 27876 1 1004 . 1 1 82 82 GLY HA2 H 1 3.971 0.020 . 1 . . . . . 82 GLY HA2 . 27876 1 1005 . 1 1 82 82 GLY HA3 H 1 3.971 0.020 . 1 . . . . . 82 GLY HA3 . 27876 1 1006 . 1 1 82 82 GLY C C 13 174.138 0.3 . 1 . . . . . 82 GLY C . 27876 1 1007 . 1 1 82 82 GLY CA C 13 45.670 0.3 . 1 . . . . . 82 GLY CA . 27876 1 1008 . 1 1 82 82 GLY N N 15 110.328 0.3 . 1 . . . . . 82 GLY N . 27876 1 1009 . 1 1 83 83 LYS H H 1 7.946 0.020 . 1 . . . . . 83 LYS H . 27876 1 1010 . 1 1 83 83 LYS HA H 1 4.330 0.020 . 1 . . . . . 83 LYS HA . 27876 1 1011 . 1 1 83 83 LYS HB2 H 1 1.851 0.020 . 2 . . . . . 83 LYS HB2 . 27876 1 1012 . 1 1 83 83 LYS HB3 H 1 1.731 0.020 . 2 . . . . . 83 LYS HB3 . 27876 1 1013 . 1 1 83 83 LYS HG2 H 1 1.431 0.020 . 2 . . . . . 83 LYS HG2 . 27876 1 1014 . 1 1 83 83 LYS HG3 H 1 1.397 0.020 . 2 . . . . . 83 LYS HG3 . 27876 1 1015 . 1 1 83 83 LYS HD2 H 1 1.694 0.020 . 2 . . . . . 83 LYS HD2 . 27876 1 1016 . 1 1 83 83 LYS HD3 H 1 1.672 0.020 . 2 . . . . . 83 LYS HD3 . 27876 1 1017 . 1 1 83 83 LYS HE2 H 1 3.005 0.020 . 1 . . . . . 83 LYS HE2 . 27876 1 1018 . 1 1 83 83 LYS HE3 H 1 3.005 0.020 . 1 . . . . . 83 LYS HE3 . 27876 1 1019 . 1 1 83 83 LYS C C 13 176.316 0.3 . 1 . . . . . 83 LYS C . 27876 1 1020 . 1 1 83 83 LYS CA C 13 56.280 0.3 . 1 . . . . . 83 LYS CA . 27876 1 1021 . 1 1 83 83 LYS CB C 13 33.093 0.3 . 1 . . . . . 83 LYS CB . 27876 1 1022 . 1 1 83 83 LYS CG C 13 25.110 0.3 . 1 . . . . . 83 LYS CG . 27876 1 1023 . 1 1 83 83 LYS CD C 13 29.345 0.3 . 1 . . . . . 83 LYS CD . 27876 1 1024 . 1 1 83 83 LYS CE C 13 42.378 0.3 . 1 . . . . . 83 LYS CE . 27876 1 1025 . 1 1 83 83 LYS N N 15 120.024 0.3 . 1 . . . . . 83 LYS N . 27876 1 1026 . 1 1 84 84 LEU H H 1 8.004 0.020 . 1 . . . . . 84 LEU H . 27876 1 1027 . 1 1 84 84 LEU HA H 1 4.421 0.020 . 1 . . . . . 84 LEU HA . 27876 1 1028 . 1 1 84 84 LEU HB2 H 1 1.637 0.020 . 2 . . . . . 84 LEU HB2 . 27876 1 1029 . 1 1 84 84 LEU HB3 H 1 1.538 0.020 . 2 . . . . . 84 LEU HB3 . 27876 1 1030 . 1 1 84 84 LEU HG H 1 1.630 0.020 . 1 . . . . . 84 LEU HG . 27876 1 1031 . 1 1 84 84 LEU HD11 H 1 0.858 0.020 . 2 . . . . . 84 LEU HD1 . 27876 1 1032 . 1 1 84 84 LEU HD12 H 1 0.858 0.020 . 2 . . . . . 84 LEU HD1 . 27876 1 1033 . 1 1 84 84 LEU HD13 H 1 0.858 0.020 . 2 . . . . . 84 LEU HD1 . 27876 1 1034 . 1 1 84 84 LEU HD21 H 1 0.883 0.020 . 2 . . . . . 84 LEU HD2 . 27876 1 1035 . 1 1 84 84 LEU HD22 H 1 0.883 0.020 . 2 . . . . . 84 LEU HD2 . 27876 1 1036 . 1 1 84 84 LEU HD23 H 1 0.883 0.020 . 2 . . . . . 84 LEU HD2 . 27876 1 1037 . 1 1 84 84 LEU C C 13 177.009 0.3 . 1 . . . . . 84 LEU C . 27876 1 1038 . 1 1 84 84 LEU CA C 13 54.787 0.3 . 1 . . . . . 84 LEU CA . 27876 1 1039 . 1 1 84 84 LEU CB C 13 42.914 0.3 . 1 . . . . . 84 LEU CB . 27876 1 1040 . 1 1 84 84 LEU CG C 13 27.038 0.3 . 1 . . . . . 84 LEU CG . 27876 1 1041 . 1 1 84 84 LEU CD1 C 13 23.528 0.3 . 1 . . . . . 84 LEU CD1 . 27876 1 1042 . 1 1 84 84 LEU CD2 C 13 25.028 0.3 . 1 . . . . . 84 LEU CD2 . 27876 1 1043 . 1 1 84 84 LEU N N 15 122.003 0.3 . 1 . . . . . 84 LEU N . 27876 1 1044 . 1 1 85 85 ARG H H 1 8.276 0.020 . 1 . . . . . 85 ARG H . 27876 1 1045 . 1 1 85 85 ARG HA H 1 4.574 0.020 . 1 . . . . . 85 ARG HA . 27876 1 1046 . 1 1 85 85 ARG HB2 H 1 2.112 0.020 . 2 . . . . . 85 ARG HB2 . 27876 1 1047 . 1 1 85 85 ARG HB3 H 1 1.847 0.020 . 2 . . . . . 85 ARG HB3 . 27876 1 1048 . 1 1 85 85 ARG HG2 H 1 1.809 0.020 . 1 . . . . . 85 ARG HG2 . 27876 1 1049 . 1 1 85 85 ARG HG3 H 1 1.809 0.020 . 1 . . . . . 85 ARG HG3 . 27876 1 1050 . 1 1 85 85 ARG HD2 H 1 3.300 0.020 . 1 . . . . . 85 ARG HD2 . 27876 1 1051 . 1 1 85 85 ARG HD3 H 1 3.300 0.020 . 1 . . . . . 85 ARG HD3 . 27876 1 1052 . 1 1 85 85 ARG C C 13 175.303 0.3 . 1 . . . . . 85 ARG C . 27876 1 1053 . 1 1 85 85 ARG CA C 13 54.853 0.3 . 1 . . . . . 85 ARG CA . 27876 1 1054 . 1 1 85 85 ARG CB C 13 29.408 0.3 . 1 . . . . . 85 ARG CB . 27876 1 1055 . 1 1 85 85 ARG CG C 13 27.650 0.3 . 1 . . . . . 85 ARG CG . 27876 1 1056 . 1 1 85 85 ARG CD C 13 43.331 0.3 . 1 . . . . . 85 ARG CD . 27876 1 1057 . 1 1 85 85 ARG N N 15 122.214 0.3 . 1 . . . . . 85 ARG N . 27876 1 1058 . 1 1 86 86 PRO HA H 1 4.279 0.020 . 1 . . . . . 86 PRO HA . 27876 1 1059 . 1 1 86 86 PRO HB2 H 1 2.544 0.020 . 2 . . . . . 86 PRO HB2 . 27876 1 1060 . 1 1 86 86 PRO HB3 H 1 2.041 0.020 . 2 . . . . . 86 PRO HB3 . 27876 1 1061 . 1 1 86 86 PRO HG2 H 1 2.295 0.020 . 2 . . . . . 86 PRO HG2 . 27876 1 1062 . 1 1 86 86 PRO HG3 H 1 2.146 0.020 . 2 . . . . . 86 PRO HG3 . 27876 1 1063 . 1 1 86 86 PRO HD2 H 1 3.948 0.020 . 2 . . . . . 86 PRO HD2 . 27876 1 1064 . 1 1 86 86 PRO HD3 H 1 3.899 0.020 . 2 . . . . . 86 PRO HD3 . 27876 1 1065 . 1 1 86 86 PRO C C 13 179.242 0.3 . 1 . . . . . 86 PRO C . 27876 1 1066 . 1 1 86 86 PRO CA C 13 65.791 0.3 . 1 . . . . . 86 PRO CA . 27876 1 1067 . 1 1 86 86 PRO CB C 13 32.056 0.3 . 1 . . . . . 86 PRO CB . 27876 1 1068 . 1 1 86 86 PRO CG C 13 27.889 0.3 . 1 . . . . . 86 PRO CG . 27876 1 1069 . 1 1 86 86 PRO CD C 13 50.463 0.3 . 1 . . . . . 86 PRO CD . 27876 1 1070 . 1 1 87 87 GLU H H 1 9.562 0.020 . 1 . . . . . 87 GLU H . 27876 1 1071 . 1 1 87 87 GLU HA H 1 3.942 0.020 . 1 . . . . . 87 GLU HA . 27876 1 1072 . 1 1 87 87 GLU HB2 H 1 2.013 0.020 . 1 . . . . . 87 GLU HB2 . 27876 1 1073 . 1 1 87 87 GLU HB3 H 1 2.013 0.020 . 1 . . . . . 87 GLU HB3 . 27876 1 1074 . 1 1 87 87 GLU HG2 H 1 2.470 0.020 . 2 . . . . . 87 GLU HG2 . 27876 1 1075 . 1 1 87 87 GLU HG3 H 1 2.372 0.020 . 2 . . . . . 87 GLU HG3 . 27876 1 1076 . 1 1 87 87 GLU C C 13 177.411 0.3 . 1 . . . . . 87 GLU C . 27876 1 1077 . 1 1 87 87 GLU CA C 13 60.126 0.3 . 1 . . . . . 87 GLU CA . 27876 1 1078 . 1 1 87 87 GLU CB C 13 28.613 0.3 . 1 . . . . . 87 GLU CB . 27876 1 1079 . 1 1 87 87 GLU CG C 13 36.887 0.3 . 1 . . . . . 87 GLU CG . 27876 1 1080 . 1 1 87 87 GLU N N 15 118.604 0.3 . 1 . . . . . 87 GLU N . 27876 1 1081 . 1 1 88 88 ALA H H 1 7.286 0.020 . 1 . . . . . 88 ALA H . 27876 1 1082 . 1 1 88 88 ALA HA H 1 4.109 0.020 . 1 . . . . . 88 ALA HA . 27876 1 1083 . 1 1 88 88 ALA HB1 H 1 1.512 0.020 . 1 . . . . . 88 ALA HB . 27876 1 1084 . 1 1 88 88 ALA HB2 H 1 1.512 0.020 . 1 . . . . . 88 ALA HB . 27876 1 1085 . 1 1 88 88 ALA HB3 H 1 1.512 0.020 . 1 . . . . . 88 ALA HB . 27876 1 1086 . 1 1 88 88 ALA C C 13 180.574 0.3 . 1 . . . . . 88 ALA C . 27876 1 1087 . 1 1 88 88 ALA CA C 13 54.306 0.3 . 1 . . . . . 88 ALA CA . 27876 1 1088 . 1 1 88 88 ALA CB C 13 18.682 0.3 . 1 . . . . . 88 ALA CB . 27876 1 1089 . 1 1 88 88 ALA N N 15 122.189 0.3 . 1 . . . . . 88 ALA N . 27876 1 1090 . 1 1 89 89 LEU H H 1 7.827 0.020 . 1 . . . . . 89 LEU H . 27876 1 1091 . 1 1 89 89 LEU HA H 1 4.094 0.020 . 1 . . . . . 89 LEU HA . 27876 1 1092 . 1 1 89 89 LEU HB2 H 1 1.746 0.020 . 2 . . . . . 89 LEU HB2 . 27876 1 1093 . 1 1 89 89 LEU HB3 H 1 1.680 0.020 . 2 . . . . . 89 LEU HB3 . 27876 1 1094 . 1 1 89 89 LEU HD11 H 1 0.925 0.020 . 2 . . . . . 89 LEU HD1 . 27876 1 1095 . 1 1 89 89 LEU HD12 H 1 0.925 0.020 . 2 . . . . . 89 LEU HD1 . 27876 1 1096 . 1 1 89 89 LEU HD13 H 1 0.925 0.020 . 2 . . . . . 89 LEU HD1 . 27876 1 1097 . 1 1 89 89 LEU HD21 H 1 0.958 0.020 . 2 . . . . . 89 LEU HD2 . 27876 1 1098 . 1 1 89 89 LEU HD22 H 1 0.958 0.020 . 2 . . . . . 89 LEU HD2 . 27876 1 1099 . 1 1 89 89 LEU HD23 H 1 0.958 0.020 . 2 . . . . . 89 LEU HD2 . 27876 1 1100 . 1 1 89 89 LEU C C 13 178.396 0.3 . 1 . . . . . 89 LEU C . 27876 1 1101 . 1 1 89 89 LEU CA C 13 57.755 0.3 . 1 . . . . . 89 LEU CA . 27876 1 1102 . 1 1 89 89 LEU CB C 13 41.590 0.3 . 1 . . . . . 89 LEU CB . 27876 1 1103 . 1 1 89 89 LEU CG C 13 27.029 0.3 . 1 . . . . . 89 LEU CG . 27876 1 1104 . 1 1 89 89 LEU CD1 C 13 24.515 0.3 . 1 . . . . . 89 LEU CD1 . 27876 1 1105 . 1 1 89 89 LEU CD2 C 13 24.158 0.3 . 1 . . . . . 89 LEU CD2 . 27876 1 1106 . 1 1 89 89 LEU N N 15 120.268 0.3 . 1 . . . . . 89 LEU N . 27876 1 1107 . 1 1 90 90 ALA H H 1 7.968 0.020 . 1 . . . . . 90 ALA H . 27876 1 1108 . 1 1 90 90 ALA HA H 1 4.196 0.020 . 1 . . . . . 90 ALA HA . 27876 1 1109 . 1 1 90 90 ALA HB1 H 1 1.466 0.020 . 1 . . . . . 90 ALA HB . 27876 1 1110 . 1 1 90 90 ALA HB2 H 1 1.466 0.020 . 1 . . . . . 90 ALA HB . 27876 1 1111 . 1 1 90 90 ALA HB3 H 1 1.466 0.020 . 1 . . . . . 90 ALA HB . 27876 1 1112 . 1 1 90 90 ALA C C 13 179.112 0.3 . 1 . . . . . 90 ALA C . 27876 1 1113 . 1 1 90 90 ALA CA C 13 54.893 0.3 . 1 . . . . . 90 ALA CA . 27876 1 1114 . 1 1 90 90 ALA CB C 13 18.863 0.3 . 1 . . . . . 90 ALA CB . 27876 1 1115 . 1 1 90 90 ALA N N 15 121.206 0.3 . 1 . . . . . 90 ALA N . 27876 1 1116 . 1 1 91 91 GLN H H 1 7.714 0.020 . 1 . . . . . 91 GLN H . 27876 1 1117 . 1 1 91 91 GLN HA H 1 3.608 0.020 . 1 . . . . . 91 GLN HA . 27876 1 1118 . 1 1 91 91 GLN HB2 H 1 1.646 0.020 . 2 . . . . . 91 GLN HB2 . 27876 1 1119 . 1 1 91 91 GLN HB3 H 1 1.798 0.020 . 2 . . . . . 91 GLN HB3 . 27876 1 1120 . 1 1 91 91 GLN HG2 H 1 1.706 0.020 . 2 . . . . . 91 GLN HG2 . 27876 1 1121 . 1 1 91 91 GLN HG3 H 1 1.573 0.020 . 2 . . . . . 91 GLN HG3 . 27876 1 1122 . 1 1 91 91 GLN C C 13 178.334 0.3 . 1 . . . . . 91 GLN C . 27876 1 1123 . 1 1 91 91 GLN CA C 13 58.987 0.3 . 1 . . . . . 91 GLN CA . 27876 1 1124 . 1 1 91 91 GLN CB C 13 28.084 0.3 . 1 . . . . . 91 GLN CB . 27876 1 1125 . 1 1 91 91 GLN CG C 13 33.777 0.3 . 1 . . . . . 91 GLN CG . 27876 1 1126 . 1 1 91 91 GLN N N 15 116.413 0.3 . 1 . . . . . 91 GLN N . 27876 1 1127 . 1 1 92 92 ALA H H 1 7.774 0.020 . 1 . . . . . 92 ALA H . 27876 1 1128 . 1 1 92 92 ALA HA H 1 4.179 0.020 . 1 . . . . . 92 ALA HA . 27876 1 1129 . 1 1 92 92 ALA HB1 H 1 1.527 0.020 . 1 . . . . . 92 ALA HB . 27876 1 1130 . 1 1 92 92 ALA HB2 H 1 1.527 0.020 . 1 . . . . . 92 ALA HB . 27876 1 1131 . 1 1 92 92 ALA HB3 H 1 1.527 0.020 . 1 . . . . . 92 ALA HB . 27876 1 1132 . 1 1 92 92 ALA C C 13 180.366 0.3 . 1 . . . . . 92 ALA C . 27876 1 1133 . 1 1 92 92 ALA CA C 13 55.222 0.3 . 1 . . . . . 92 ALA CA . 27876 1 1134 . 1 1 92 92 ALA CB C 13 17.888 0.3 . 1 . . . . . 92 ALA CB . 27876 1 1135 . 1 1 92 92 ALA N N 15 123.142 0.3 . 1 . . . . . 92 ALA N . 27876 1 1136 . 1 1 93 93 VAL H H 1 8.206 0.020 . 1 . . . . . 93 VAL H . 27876 1 1137 . 1 1 93 93 VAL HA H 1 3.699 0.020 . 1 . . . . . 93 VAL HA . 27876 1 1138 . 1 1 93 93 VAL HB H 1 2.273 0.020 . 1 . . . . . 93 VAL HB . 27876 1 1139 . 1 1 93 93 VAL HG11 H 1 1.008 0.020 . 2 . . . . . 93 VAL HG1 . 27876 1 1140 . 1 1 93 93 VAL HG12 H 1 1.008 0.020 . 2 . . . . . 93 VAL HG1 . 27876 1 1141 . 1 1 93 93 VAL HG13 H 1 1.008 0.020 . 2 . . . . . 93 VAL HG1 . 27876 1 1142 . 1 1 93 93 VAL HG21 H 1 1.114 0.020 . 2 . . . . . 93 VAL HG2 . 27876 1 1143 . 1 1 93 93 VAL HG22 H 1 1.114 0.020 . 2 . . . . . 93 VAL HG2 . 27876 1 1144 . 1 1 93 93 VAL HG23 H 1 1.114 0.020 . 2 . . . . . 93 VAL HG2 . 27876 1 1145 . 1 1 93 93 VAL C C 13 177.536 0.3 . 1 . . . . . 93 VAL C . 27876 1 1146 . 1 1 93 93 VAL CA C 13 66.345 0.3 . 1 . . . . . 93 VAL CA . 27876 1 1147 . 1 1 93 93 VAL CB C 13 31.799 0.3 . 1 . . . . . 93 VAL CB . 27876 1 1148 . 1 1 93 93 VAL CG1 C 13 21.478 0.3 . 1 . . . . . 93 VAL CG1 . 27876 1 1149 . 1 1 93 93 VAL CG2 C 13 22.746 0.3 . 1 . . . . . 93 VAL CG2 . 27876 1 1150 . 1 1 93 93 VAL N N 15 120.655 0.3 . 1 . . . . . 93 VAL N . 27876 1 1151 . 1 1 94 94 ALA H H 1 8.242 0.020 . 1 . . . . . 94 ALA H . 27876 1 1152 . 1 1 94 94 ALA HA H 1 3.940 0.020 . 1 . . . . . 94 ALA HA . 27876 1 1153 . 1 1 94 94 ALA HB1 H 1 1.694 0.020 . 1 . . . . . 94 ALA HB . 27876 1 1154 . 1 1 94 94 ALA HB2 H 1 1.694 0.020 . 1 . . . . . 94 ALA HB . 27876 1 1155 . 1 1 94 94 ALA HB3 H 1 1.694 0.020 . 1 . . . . . 94 ALA HB . 27876 1 1156 . 1 1 94 94 ALA C C 13 179.769 0.3 . 1 . . . . . 94 ALA C . 27876 1 1157 . 1 1 94 94 ALA CA C 13 56.728 0.3 . 1 . . . . . 94 ALA CA . 27876 1 1158 . 1 1 94 94 ALA CB C 13 18.285 0.3 . 1 . . . . . 94 ALA CB . 27876 1 1159 . 1 1 94 94 ALA N N 15 122.283 0.3 . 1 . . . . . 94 ALA N . 27876 1 1160 . 1 1 95 95 THR H H 1 8.131 0.020 . 1 . . . . . 95 THR H . 27876 1 1161 . 1 1 95 95 THR HA H 1 4.008 0.020 . 1 . . . . . 95 THR HA . 27876 1 1162 . 1 1 95 95 THR HB H 1 4.261 0.020 . 1 . . . . . 95 THR HB . 27876 1 1163 . 1 1 95 95 THR HG21 H 1 1.259 0.020 . 1 . . . . . 95 THR HG2 . 27876 1 1164 . 1 1 95 95 THR HG22 H 1 1.259 0.020 . 1 . . . . . 95 THR HG2 . 27876 1 1165 . 1 1 95 95 THR HG23 H 1 1.259 0.020 . 1 . . . . . 95 THR HG2 . 27876 1 1166 . 1 1 95 95 THR C C 13 176.925 0.3 . 1 . . . . . 95 THR C . 27876 1 1167 . 1 1 95 95 THR CA C 13 66.089 0.3 . 1 . . . . . 95 THR CA . 27876 1 1168 . 1 1 95 95 THR CB C 13 69.000 0.3 . 1 . . . . . 95 THR CB . 27876 1 1169 . 1 1 95 95 THR CG2 C 13 21.736 0.3 . 1 . . . . . 95 THR CG2 . 27876 1 1170 . 1 1 95 95 THR N N 15 112.764 0.3 . 1 . . . . . 95 THR N . 27876 1 1171 . 1 1 96 96 GLN H H 1 8.125 0.020 . 1 . . . . . 96 GLN H . 27876 1 1172 . 1 1 96 96 GLN HA H 1 4.019 0.020 . 1 . . . . . 96 GLN HA . 27876 1 1173 . 1 1 96 96 GLN HB2 H 1 2.217 0.020 . 2 . . . . . 96 GLN HB2 . 27876 1 1174 . 1 1 96 96 GLN HB3 H 1 2.146 0.020 . 2 . . . . . 96 GLN HB3 . 27876 1 1175 . 1 1 96 96 GLN HG2 H 1 2.358 0.020 . 2 . . . . . 96 GLN HG2 . 27876 1 1176 . 1 1 96 96 GLN HG3 H 1 2.436 0.020 . 2 . . . . . 96 GLN HG3 . 27876 1 1177 . 1 1 96 96 GLN C C 13 177.828 0.3 . 1 . . . . . 96 GLN C . 27876 1 1178 . 1 1 96 96 GLN CA C 13 58.812 0.3 . 1 . . . . . 96 GLN CA . 27876 1 1179 . 1 1 96 96 GLN CB C 13 28.778 0.3 . 1 . . . . . 96 GLN CB . 27876 1 1180 . 1 1 96 96 GLN CG C 13 33.844 0.3 . 1 . . . . . 96 GLN CG . 27876 1 1181 . 1 1 96 96 GLN N N 15 121.383 0.3 . 1 . . . . . 96 GLN N . 27876 1 1182 . 1 1 97 97 LEU H H 1 7.995 0.020 . 1 . . . . . 97 LEU H . 27876 1 1183 . 1 1 97 97 LEU HA H 1 4.187 0.020 . 1 . . . . . 97 LEU HA . 27876 1 1184 . 1 1 97 97 LEU HB2 H 1 1.517 0.020 . 2 . . . . . 97 LEU HB2 . 27876 1 1185 . 1 1 97 97 LEU HB3 H 1 1.151 0.020 . 2 . . . . . 97 LEU HB3 . 27876 1 1186 . 1 1 97 97 LEU HG H 1 1.827 0.020 . 1 . . . . . 97 LEU HG . 27876 1 1187 . 1 1 97 97 LEU HD11 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD1 . 27876 1 1188 . 1 1 97 97 LEU HD12 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD1 . 27876 1 1189 . 1 1 97 97 LEU HD13 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD1 . 27876 1 1190 . 1 1 97 97 LEU HD21 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD2 . 27876 1 1191 . 1 1 97 97 LEU HD22 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD2 . 27876 1 1192 . 1 1 97 97 LEU HD23 H 1 0.802 0.020 . 1 . . . . . 97 LEU HD2 . 27876 1 1193 . 1 1 97 97 LEU C C 13 176.857 0.3 . 1 . . . . . 97 LEU C . 27876 1 1194 . 1 1 97 97 LEU CA C 13 54.951 0.3 . 1 . . . . . 97 LEU CA . 27876 1 1195 . 1 1 97 97 LEU CB C 13 42.760 0.3 . 1 . . . . . 97 LEU CB . 27876 1 1196 . 1 1 97 97 LEU CG C 13 26.798 0.3 . 1 . . . . . 97 LEU CG . 27876 1 1197 . 1 1 97 97 LEU CD1 C 13 26.481 0.3 . 1 . . . . . 97 LEU CD1 . 27876 1 1198 . 1 1 97 97 LEU CD2 C 13 22.133 0.3 . 1 . . . . . 97 LEU CD2 . 27876 1 1199 . 1 1 97 97 LEU N N 15 115.840 0.3 . 1 . . . . . 97 LEU N . 27876 1 1200 . 1 1 98 98 GLY H H 1 7.896 0.020 . 1 . . . . . 98 GLY H . 27876 1 1201 . 1 1 98 98 GLY HA2 H 1 3.914 0.020 . 2 . . . . . 98 GLY HA2 . 27876 1 1202 . 1 1 98 98 GLY HA3 H 1 3.773 0.020 . 2 . . . . . 98 GLY HA3 . 27876 1 1203 . 1 1 98 98 GLY C C 13 174.416 0.3 . 1 . . . . . 98 GLY C . 27876 1 1204 . 1 1 98 98 GLY CA C 13 45.990 0.3 . 1 . . . . . 98 GLY CA . 27876 1 1205 . 1 1 98 98 GLY N N 15 107.480 0.3 . 1 . . . . . 98 GLY N . 27876 1 1206 . 1 1 99 99 TYR H H 1 8.007 0.020 . 1 . . . . . 99 TYR H . 27876 1 1207 . 1 1 99 99 TYR HA H 1 5.248 0.020 . 1 . . . . . 99 TYR HA . 27876 1 1208 . 1 1 99 99 TYR HB2 H 1 3.326 0.020 . 2 . . . . . 99 TYR HB2 . 27876 1 1209 . 1 1 99 99 TYR HB3 H 1 2.367 0.020 . 2 . . . . . 99 TYR HB3 . 27876 1 1210 . 1 1 99 99 TYR HD1 H 1 6.862 0.020 . 1 . . . . . 99 TYR HD1 . 27876 1 1211 . 1 1 99 99 TYR HD2 H 1 6.862 0.020 . 1 . . . . . 99 TYR HD2 . 27876 1 1212 . 1 1 99 99 TYR HE1 H 1 6.735 0.020 . 1 . . . . . 99 TYR HE1 . 27876 1 1213 . 1 1 99 99 TYR HE2 H 1 6.735 0.020 . 1 . . . . . 99 TYR HE2 . 27876 1 1214 . 1 1 99 99 TYR C C 13 172.960 0.3 . 1 . . . . . 99 TYR C . 27876 1 1215 . 1 1 99 99 TYR CA C 13 53.346 0.3 . 1 . . . . . 99 TYR CA . 27876 1 1216 . 1 1 99 99 TYR CB C 13 40.219 0.3 . 1 . . . . . 99 TYR CB . 27876 1 1217 . 1 1 99 99 TYR CD1 C 13 131.968 0.3 . 1 . . . . . 99 TYR CD1 . 27876 1 1218 . 1 1 99 99 TYR CD2 C 13 131.968 0.3 . 1 . . . . . 99 TYR CD2 . 27876 1 1219 . 1 1 99 99 TYR CE1 C 13 118.195 0.3 . 1 . . . . . 99 TYR CE1 . 27876 1 1220 . 1 1 99 99 TYR CE2 C 13 118.195 0.3 . 1 . . . . . 99 TYR CE2 . 27876 1 1221 . 1 1 99 99 TYR N N 15 119.485 0.3 . 1 . . . . . 99 TYR N . 27876 1 1222 . 1 1 100 100 PRO HA H 1 4.523 0.020 . 1 . . . . . 100 PRO HA . 27876 1 1223 . 1 1 100 100 PRO HB2 H 1 2.301 0.020 . 2 . . . . . 100 PRO HB2 . 27876 1 1224 . 1 1 100 100 PRO HB3 H 1 1.671 0.020 . 2 . . . . . 100 PRO HB3 . 27876 1 1225 . 1 1 100 100 PRO HG2 H 1 2.060 0.020 . 2 . . . . . 100 PRO HG2 . 27876 1 1226 . 1 1 100 100 PRO HG3 H 1 2.038 0.020 . 2 . . . . . 100 PRO HG3 . 27876 1 1227 . 1 1 100 100 PRO HD2 H 1 4.115 0.020 . 2 . . . . . 100 PRO HD2 . 27876 1 1228 . 1 1 100 100 PRO HD3 H 1 3.940 0.020 . 2 . . . . . 100 PRO HD3 . 27876 1 1229 . 1 1 100 100 PRO C C 13 175.331 0.3 . 1 . . . . . 100 PRO C . 27876 1 1230 . 1 1 100 100 PRO CA C 13 62.755 0.3 . 1 . . . . . 100 PRO CA . 27876 1 1231 . 1 1 100 100 PRO CB C 13 32.145 0.3 . 1 . . . . . 100 PRO CB . 27876 1 1232 . 1 1 100 100 PRO CG C 13 27.404 0.3 . 1 . . . . . 100 PRO CG . 27876 1 1233 . 1 1 100 100 PRO CD C 13 50.229 0.3 . 1 . . . . . 100 PRO CD . 27876 1 1234 . 1 1 101 101 TYR H H 1 8.197 0.020 . 1 . . . . . 101 TYR H . 27876 1 1235 . 1 1 101 101 TYR HA H 1 5.170 0.020 . 1 . . . . . 101 TYR HA . 27876 1 1236 . 1 1 101 101 TYR HB2 H 1 2.773 0.020 . 1 . . . . . 101 TYR HB2 . 27876 1 1237 . 1 1 101 101 TYR HB3 H 1 2.773 0.020 . 1 . . . . . 101 TYR HB3 . 27876 1 1238 . 1 1 101 101 TYR HD1 H 1 6.777 0.020 . 1 . . . . . 101 TYR HD1 . 27876 1 1239 . 1 1 101 101 TYR HD2 H 1 6.777 0.020 . 1 . . . . . 101 TYR HD2 . 27876 1 1240 . 1 1 101 101 TYR HE1 H 1 6.701 0.020 . 1 . . . . . 101 TYR HE1 . 27876 1 1241 . 1 1 101 101 TYR HE2 H 1 6.701 0.020 . 1 . . . . . 101 TYR HE2 . 27876 1 1242 . 1 1 101 101 TYR C C 13 174.860 0.3 . 1 . . . . . 101 TYR C . 27876 1 1243 . 1 1 101 101 TYR CA C 13 56.262 0.3 . 1 . . . . . 101 TYR CA . 27876 1 1244 . 1 1 101 101 TYR CB C 13 40.398 0.3 . 1 . . . . . 101 TYR CB . 27876 1 1245 . 1 1 101 101 TYR CD1 C 13 133.093 0.3 . 1 . . . . . 101 TYR CD1 . 27876 1 1246 . 1 1 101 101 TYR CD2 C 13 133.093 0.3 . 1 . . . . . 101 TYR CD2 . 27876 1 1247 . 1 1 101 101 TYR CE1 C 13 118.020 0.3 . 1 . . . . . 101 TYR CE1 . 27876 1 1248 . 1 1 101 101 TYR CE2 C 13 118.020 0.3 . 1 . . . . . 101 TYR CE2 . 27876 1 1249 . 1 1 101 101 TYR N N 15 121.817 0.3 . 1 . . . . . 101 TYR N . 27876 1 1250 . 1 1 102 102 VAL H H 1 8.161 0.020 . 1 . . . . . 102 VAL H . 27876 1 1251 . 1 1 102 102 VAL HA H 1 3.794 0.020 . 1 . . . . . 102 VAL HA . 27876 1 1252 . 1 1 102 102 VAL HB H 1 1.175 0.020 . 1 . . . . . 102 VAL HB . 27876 1 1253 . 1 1 102 102 VAL HG11 H 1 0.175 0.020 . 2 . . . . . 102 VAL HG1 . 27876 1 1254 . 1 1 102 102 VAL HG12 H 1 0.175 0.020 . 2 . . . . . 102 VAL HG1 . 27876 1 1255 . 1 1 102 102 VAL HG13 H 1 0.175 0.020 . 2 . . . . . 102 VAL HG1 . 27876 1 1256 . 1 1 102 102 VAL HG21 H 1 0.368 0.020 . 2 . . . . . 102 VAL HG2 . 27876 1 1257 . 1 1 102 102 VAL HG22 H 1 0.368 0.020 . 2 . . . . . 102 VAL HG2 . 27876 1 1258 . 1 1 102 102 VAL HG23 H 1 0.368 0.020 . 2 . . . . . 102 VAL HG2 . 27876 1 1259 . 1 1 102 102 VAL C C 13 172.765 0.3 . 1 . . . . . 102 VAL C . 27876 1 1260 . 1 1 102 102 VAL CA C 13 60.672 0.3 . 1 . . . . . 102 VAL CA . 27876 1 1261 . 1 1 102 102 VAL CB C 13 35.297 0.3 . 1 . . . . . 102 VAL CB . 27876 1 1262 . 1 1 102 102 VAL CG1 C 13 19.817 0.3 . 1 . . . . . 102 VAL CG1 . 27876 1 1263 . 1 1 102 102 VAL CG2 C 13 20.810 0.3 . 1 . . . . . 102 VAL CG2 . 27876 1 1264 . 1 1 102 102 VAL N N 15 129.370 0.3 . 1 . . . . . 102 VAL N . 27876 1 1265 . 1 1 103 103 ASP H H 1 8.290 0.020 . 1 . . . . . 103 ASP H . 27876 1 1266 . 1 1 103 103 ASP HA H 1 4.875 0.020 . 1 . . . . . 103 ASP HA . 27876 1 1267 . 1 1 103 103 ASP HB2 H 1 2.991 0.020 . 2 . . . . . 103 ASP HB2 . 27876 1 1268 . 1 1 103 103 ASP HB3 H 1 2.550 0.020 . 2 . . . . . 103 ASP HB3 . 27876 1 1269 . 1 1 103 103 ASP CA C 13 49.241 0.3 . 1 . . . . . 103 ASP CA . 27876 1 1270 . 1 1 103 103 ASP CB C 13 41.723 0.3 . 1 . . . . . 103 ASP CB . 27876 1 1271 . 1 1 103 103 ASP N N 15 124.317 0.3 . 1 . . . . . 103 ASP N . 27876 1 1272 . 1 1 104 104 PRO HA H 1 4.610 0.020 . 1 . . . . . 104 PRO HA . 27876 1 1273 . 1 1 104 104 PRO HB2 H 1 2.093 0.020 . 2 . . . . . 104 PRO HB2 . 27876 1 1274 . 1 1 104 104 PRO HB3 H 1 1.935 0.020 . 2 . . . . . 104 PRO HB3 . 27876 1 1275 . 1 1 104 104 PRO HG2 H 1 1.482 0.020 . 1 . . . . . 104 PRO HG2 . 27876 1 1276 . 1 1 104 104 PRO HG3 H 1 1.482 0.020 . 1 . . . . . 104 PRO HG3 . 27876 1 1277 . 1 1 104 104 PRO HD2 H 1 3.901 0.020 . 2 . . . . . 104 PRO HD2 . 27876 1 1278 . 1 1 104 104 PRO HD3 H 1 3.808 0.020 . 2 . . . . . 104 PRO HD3 . 27876 1 1279 . 1 1 104 104 PRO C C 13 176.843 0.3 . 1 . . . . . 104 PRO C . 27876 1 1280 . 1 1 104 104 PRO CA C 13 62.786 0.3 . 1 . . . . . 104 PRO CA . 27876 1 1281 . 1 1 104 104 PRO CB C 13 32.451 0.3 . 1 . . . . . 104 PRO CB . 27876 1 1282 . 1 1 104 104 PRO CG C 13 27.415 0.3 . 1 . . . . . 104 PRO CG . 27876 1 1283 . 1 1 104 104 PRO CD C 13 50.429 0.3 . 1 . . . . . 104 PRO CD . 27876 1 1284 . 1 1 105 105 GLU H H 1 8.113 0.020 . 1 . . . . . 105 GLU H . 27876 1 1285 . 1 1 105 105 GLU HA H 1 4.118 0.020 . 1 . . . . . 105 GLU HA . 27876 1 1286 . 1 1 105 105 GLU HB2 H 1 2.034 0.020 . 1 . . . . . 105 GLU HB2 . 27876 1 1287 . 1 1 105 105 GLU HB3 H 1 2.034 0.020 . 1 . . . . . 105 GLU HB3 . 27876 1 1288 . 1 1 105 105 GLU HG2 H 1 2.309 0.020 . 2 . . . . . 105 GLU HG2 . 27876 1 1289 . 1 1 105 105 GLU HG3 H 1 2.192 0.020 . 2 . . . . . 105 GLU HG3 . 27876 1 1290 . 1 1 105 105 GLU C C 13 177.744 0.3 . 1 . . . . . 105 GLU C . 27876 1 1291 . 1 1 105 105 GLU CA C 13 58.033 0.3 . 1 . . . . . 105 GLU CA . 27876 1 1292 . 1 1 105 105 GLU CB C 13 29.219 0.3 . 1 . . . . . 105 GLU CB . 27876 1 1293 . 1 1 105 105 GLU CG C 13 36.414 0.3 . 1 . . . . . 105 GLU CG . 27876 1 1294 . 1 1 105 105 GLU N N 15 116.876 0.3 . 1 . . . . . 105 GLU N . 27876 1 1295 . 1 1 106 106 GLU H H 1 7.152 0.020 . 1 . . . . . 106 GLU H . 27876 1 1296 . 1 1 106 106 GLU HA H 1 4.289 0.020 . 1 . . . . . 106 GLU HA . 27876 1 1297 . 1 1 106 106 GLU HB2 H 1 2.143 0.020 . 2 . . . . . 106 GLU HB2 . 27876 1 1298 . 1 1 106 106 GLU HB3 H 1 1.939 0.020 . 2 . . . . . 106 GLU HB3 . 27876 1 1299 . 1 1 106 106 GLU HG2 H 1 2.203 0.020 . 2 . . . . . 106 GLU HG2 . 27876 1 1300 . 1 1 106 106 GLU HG3 H 1 2.297 0.020 . 2 . . . . . 106 GLU HG3 . 27876 1 1301 . 1 1 106 106 GLU C C 13 175.983 0.3 . 1 . . . . . 106 GLU C . 27876 1 1302 . 1 1 106 106 GLU CA C 13 56.719 0.3 . 1 . . . . . 106 GLU CA . 27876 1 1303 . 1 1 106 106 GLU CB C 13 30.930 0.3 . 1 . . . . . 106 GLU CB . 27876 1 1304 . 1 1 106 106 GLU CG C 13 35.651 0.3 . 1 . . . . . 106 GLU CG . 27876 1 1305 . 1 1 106 106 GLU N N 15 117.541 0.3 . 1 . . . . . 106 GLU N . 27876 1 1306 . 1 1 107 107 ASP H H 1 7.842 0.020 . 1 . . . . . 107 ASP H . 27876 1 1307 . 1 1 107 107 ASP HA H 1 5.095 0.020 . 1 . . . . . 107 ASP HA . 27876 1 1308 . 1 1 107 107 ASP HB2 H 1 2.731 0.020 . 2 . . . . . 107 ASP HB2 . 27876 1 1309 . 1 1 107 107 ASP HB3 H 1 2.381 0.020 . 2 . . . . . 107 ASP HB3 . 27876 1 1310 . 1 1 107 107 ASP CA C 13 50.858 0.3 . 1 . . . . . 107 ASP CA . 27876 1 1311 . 1 1 107 107 ASP CB C 13 41.524 0.3 . 1 . . . . . 107 ASP CB . 27876 1 1312 . 1 1 107 107 ASP N N 15 118.825 0.3 . 1 . . . . . 107 ASP N . 27876 1 1313 . 1 1 108 108 PRO HA H 1 4.968 0.020 . 1 . . . . . 108 PRO HA . 27876 1 1314 . 1 1 108 108 PRO HB2 H 1 2.420 0.020 . 2 . . . . . 108 PRO HB2 . 27876 1 1315 . 1 1 108 108 PRO HB3 H 1 1.919 0.020 . 2 . . . . . 108 PRO HB3 . 27876 1 1316 . 1 1 108 108 PRO HG2 H 1 2.003 0.020 . 2 . . . . . 108 PRO HG2 . 27876 1 1317 . 1 1 108 108 PRO HG3 H 1 1.937 0.020 . 2 . . . . . 108 PRO HG3 . 27876 1 1318 . 1 1 108 108 PRO HD2 H 1 3.700 0.020 . 2 . . . . . 108 PRO HD2 . 27876 1 1319 . 1 1 108 108 PRO HD3 H 1 3.412 0.020 . 2 . . . . . 108 PRO HD3 . 27876 1 1320 . 1 1 108 108 PRO CA C 13 61.826 0.3 . 1 . . . . . 108 PRO CA . 27876 1 1321 . 1 1 108 108 PRO CB C 13 31.183 0.3 . 1 . . . . . 108 PRO CB . 27876 1 1322 . 1 1 108 108 PRO CG C 13 27.148 0.3 . 1 . . . . . 108 PRO CG . 27876 1 1323 . 1 1 108 108 PRO CD C 13 50.362 0.3 . 1 . . . . . 108 PRO CD . 27876 1 1324 . 1 1 109 109 PRO HA H 1 3.802 0.020 . 1 . . . . . 109 PRO HA . 27876 1 1325 . 1 1 109 109 PRO HB2 H 1 2.563 0.020 . 2 . . . . . 109 PRO HB2 . 27876 1 1326 . 1 1 109 109 PRO HB3 H 1 1.806 0.020 . 2 . . . . . 109 PRO HB3 . 27876 1 1327 . 1 1 109 109 PRO HG2 H 1 2.007 0.020 . 2 . . . . . 109 PRO HG2 . 27876 1 1328 . 1 1 109 109 PRO HG3 H 1 1.925 0.020 . 2 . . . . . 109 PRO HG3 . 27876 1 1329 . 1 1 109 109 PRO HD2 H 1 3.746 0.020 . 1 . . . . . 109 PRO HD2 . 27876 1 1330 . 1 1 109 109 PRO HD3 H 1 3.746 0.020 . 1 . . . . . 109 PRO HD3 . 27876 1 1331 . 1 1 109 109 PRO C C 13 176.455 0.3 . 1 . . . . . 109 PRO C . 27876 1 1332 . 1 1 109 109 PRO CA C 13 61.864 0.3 . 1 . . . . . 109 PRO CA . 27876 1 1333 . 1 1 109 109 PRO CB C 13 32.285 0.3 . 1 . . . . . 109 PRO CB . 27876 1 1334 . 1 1 109 109 PRO CG C 13 27.882 0.3 . 1 . . . . . 109 PRO CG . 27876 1 1335 . 1 1 109 109 PRO CD C 13 50.539 0.3 . 1 . . . . . 109 PRO CD . 27876 1 1336 . 1 1 110 110 ASP H H 1 8.170 0.020 . 1 . . . . . 110 ASP H . 27876 1 1337 . 1 1 110 110 ASP HA H 1 4.717 0.020 . 1 . . . . . 110 ASP HA . 27876 1 1338 . 1 1 110 110 ASP HB2 H 1 2.679 0.020 . 2 . . . . . 110 ASP HB2 . 27876 1 1339 . 1 1 110 110 ASP HB3 H 1 2.547 0.020 . 2 . . . . . 110 ASP HB3 . 27876 1 1340 . 1 1 110 110 ASP C C 13 175.817 0.3 . 1 . . . . . 110 ASP C . 27876 1 1341 . 1 1 110 110 ASP CA C 13 52.081 0.3 . 1 . . . . . 110 ASP CA . 27876 1 1342 . 1 1 110 110 ASP CB C 13 41.788 0.3 . 1 . . . . . 110 ASP CB . 27876 1 1343 . 1 1 110 110 ASP N N 15 122.290 0.3 . 1 . . . . . 110 ASP N . 27876 1 1344 . 1 1 111 111 PRO HA H 1 4.179 0.020 . 1 . . . . . 111 PRO HA . 27876 1 1345 . 1 1 111 111 PRO HB2 H 1 2.420 0.020 . 2 . . . . . 111 PRO HB2 . 27876 1 1346 . 1 1 111 111 PRO HB3 H 1 1.996 0.020 . 2 . . . . . 111 PRO HB3 . 27876 1 1347 . 1 1 111 111 PRO HG2 H 1 2.080 0.020 . 1 . . . . . 111 PRO HG2 . 27876 1 1348 . 1 1 111 111 PRO HG3 H 1 2.080 0.020 . 1 . . . . . 111 PRO HG3 . 27876 1 1349 . 1 1 111 111 PRO HD2 H 1 3.744 0.020 . 2 . . . . . 111 PRO HD2 . 27876 1 1350 . 1 1 111 111 PRO HD3 H 1 3.914 0.020 . 2 . . . . . 111 PRO HD3 . 27876 1 1351 . 1 1 111 111 PRO C C 13 177.467 0.3 . 1 . . . . . 111 PRO C . 27876 1 1352 . 1 1 111 111 PRO CA C 13 64.550 0.3 . 1 . . . . . 111 PRO CA . 27876 1 1353 . 1 1 111 111 PRO CB C 13 31.857 0.3 . 1 . . . . . 111 PRO CB . 27876 1 1354 . 1 1 111 111 PRO CG C 13 27.537 0.3 . 1 . . . . . 111 PRO CG . 27876 1 1355 . 1 1 111 111 PRO CD C 13 50.608 0.3 . 1 . . . . . 111 PRO CD . 27876 1 1356 . 1 1 112 112 GLY H H 1 8.602 0.020 . 1 . . . . . 112 GLY H . 27876 1 1357 . 1 1 112 112 GLY HA2 H 1 4.051 0.020 . 2 . . . . . 112 GLY HA2 . 27876 1 1358 . 1 1 112 112 GLY HA3 H 1 3.698 0.020 . 2 . . . . . 112 GLY HA3 . 27876 1 1359 . 1 1 112 112 GLY C C 13 175.539 0.3 . 1 . . . . . 112 GLY C . 27876 1 1360 . 1 1 112 112 GLY CA C 13 44.997 0.3 . 1 . . . . . 112 GLY CA . 27876 1 1361 . 1 1 112 112 GLY N N 15 105.342 0.3 . 1 . . . . . 112 GLY N . 27876 1 1362 . 1 1 113 113 ALA H H 1 7.795 0.020 . 1 . . . . . 113 ALA H . 27876 1 1363 . 1 1 113 113 ALA HA H 1 3.955 0.020 . 1 . . . . . 113 ALA HA . 27876 1 1364 . 1 1 113 113 ALA HB1 H 1 1.075 0.020 . 1 . . . . . 113 ALA HB . 27876 1 1365 . 1 1 113 113 ALA HB2 H 1 1.075 0.020 . 1 . . . . . 113 ALA HB . 27876 1 1366 . 1 1 113 113 ALA HB3 H 1 1.075 0.020 . 1 . . . . . 113 ALA HB . 27876 1 1367 . 1 1 113 113 ALA C C 13 175.941 0.3 . 1 . . . . . 113 ALA C . 27876 1 1368 . 1 1 113 113 ALA CA C 13 55.918 0.3 . 1 . . . . . 113 ALA CA . 27876 1 1369 . 1 1 113 113 ALA CB C 13 16.365 0.3 . 1 . . . . . 113 ALA CB . 27876 1 1370 . 1 1 113 113 ALA N N 15 125.851 0.3 . 1 . . . . . 113 ALA N . 27876 1 1371 . 1 1 114 114 PRO HA H 1 3.994 0.020 . 1 . . . . . 114 PRO HA . 27876 1 1372 . 1 1 114 114 PRO HB2 H 1 1.626 0.020 . 2 . . . . . 114 PRO HB2 . 27876 1 1373 . 1 1 114 114 PRO HB3 H 1 1.433 0.020 . 2 . . . . . 114 PRO HB3 . 27876 1 1374 . 1 1 114 114 PRO HG2 H 1 1.357 0.020 . 2 . . . . . 114 PRO HG2 . 27876 1 1375 . 1 1 114 114 PRO HG3 H 1 1.229 0.020 . 2 . . . . . 114 PRO HG3 . 27876 1 1376 . 1 1 114 114 PRO HD2 H 1 3.355 0.020 . 1 . . . . . 114 PRO HD2 . 27876 1 1377 . 1 1 114 114 PRO HD3 H 1 3.355 0.020 . 1 . . . . . 114 PRO HD3 . 27876 1 1378 . 1 1 114 114 PRO C C 13 176.760 0.3 . 1 . . . . . 114 PRO C . 27876 1 1379 . 1 1 114 114 PRO CA C 13 64.743 0.3 . 1 . . . . . 114 PRO CA . 27876 1 1380 . 1 1 114 114 PRO CB C 13 30.666 0.3 . 1 . . . . . 114 PRO CB . 27876 1 1381 . 1 1 114 114 PRO CG C 13 28.182 0.3 . 1 . . . . . 114 PRO CG . 27876 1 1382 . 1 1 114 114 PRO CD C 13 50.162 0.3 . 1 . . . . . 114 PRO CD . 27876 1 1383 . 1 1 115 115 LEU H H 1 6.880 0.020 . 1 . . . . . 115 LEU H . 27876 1 1384 . 1 1 115 115 LEU HA H 1 4.283 0.020 . 1 . . . . . 115 LEU HA . 27876 1 1385 . 1 1 115 115 LEU HB2 H 1 1.689 0.020 . 2 . . . . . 115 LEU HB2 . 27876 1 1386 . 1 1 115 115 LEU HB3 H 1 1.645 0.020 . 2 . . . . . 115 LEU HB3 . 27876 1 1387 . 1 1 115 115 LEU HG H 1 1.692 0.020 . 1 . . . . . 115 LEU HG . 27876 1 1388 . 1 1 115 115 LEU HD11 H 1 0.964 0.020 . 2 . . . . . 115 LEU HD1 . 27876 1 1389 . 1 1 115 115 LEU HD12 H 1 0.964 0.020 . 2 . . . . . 115 LEU HD1 . 27876 1 1390 . 1 1 115 115 LEU HD13 H 1 0.964 0.020 . 2 . . . . . 115 LEU HD1 . 27876 1 1391 . 1 1 115 115 LEU HD21 H 1 0.915 0.020 . 2 . . . . . 115 LEU HD2 . 27876 1 1392 . 1 1 115 115 LEU HD22 H 1 0.915 0.020 . 2 . . . . . 115 LEU HD2 . 27876 1 1393 . 1 1 115 115 LEU HD23 H 1 0.915 0.020 . 2 . . . . . 115 LEU HD2 . 27876 1 1394 . 1 1 115 115 LEU C C 13 178.507 0.3 . 1 . . . . . 115 LEU C . 27876 1 1395 . 1 1 115 115 LEU CA C 13 55.799 0.3 . 1 . . . . . 115 LEU CA . 27876 1 1396 . 1 1 115 115 LEU CB C 13 41.259 0.3 . 1 . . . . . 115 LEU CB . 27876 1 1397 . 1 1 115 115 LEU CG C 13 27.551 0.3 . 1 . . . . . 115 LEU CG . 27876 1 1398 . 1 1 115 115 LEU CD1 C 13 25.001 0.3 . 1 . . . . . 115 LEU CD1 . 27876 1 1399 . 1 1 115 115 LEU CD2 C 13 22.914 0.3 . 1 . . . . . 115 LEU CD2 . 27876 1 1400 . 1 1 115 115 LEU N N 15 113.120 0.3 . 1 . . . . . 115 LEU N . 27876 1 1401 . 1 1 116 116 LEU H H 1 7.829 0.020 . 1 . . . . . 116 LEU H . 27876 1 1402 . 1 1 116 116 LEU HA H 1 3.953 0.020 . 1 . . . . . 116 LEU HA . 27876 1 1403 . 1 1 116 116 LEU HB2 H 1 1.717 0.020 . 2 . . . . . 116 LEU HB2 . 27876 1 1404 . 1 1 116 116 LEU HB3 H 1 1.241 0.020 . 2 . . . . . 116 LEU HB3 . 27876 1 1405 . 1 1 116 116 LEU HG H 1 1.737 0.020 . 1 . . . . . 116 LEU HG . 27876 1 1406 . 1 1 116 116 LEU HD11 H 1 0.763 0.020 . 2 . . . . . 116 LEU HD1 . 27876 1 1407 . 1 1 116 116 LEU HD12 H 1 0.763 0.020 . 2 . . . . . 116 LEU HD1 . 27876 1 1408 . 1 1 116 116 LEU HD13 H 1 0.763 0.020 . 2 . . . . . 116 LEU HD1 . 27876 1 1409 . 1 1 116 116 LEU HD21 H 1 0.816 0.020 . 2 . . . . . 116 LEU HD2 . 27876 1 1410 . 1 1 116 116 LEU HD22 H 1 0.816 0.020 . 2 . . . . . 116 LEU HD2 . 27876 1 1411 . 1 1 116 116 LEU HD23 H 1 0.816 0.020 . 2 . . . . . 116 LEU HD2 . 27876 1 1412 . 1 1 116 116 LEU C C 13 176.427 0.3 . 1 . . . . . 116 LEU C . 27876 1 1413 . 1 1 116 116 LEU CA C 13 57.072 0.3 . 1 . . . . . 116 LEU CA . 27876 1 1414 . 1 1 116 116 LEU CB C 13 43.307 0.3 . 1 . . . . . 116 LEU CB . 27876 1 1415 . 1 1 116 116 LEU CG C 13 26.830 0.3 . 1 . . . . . 116 LEU CG . 27876 1 1416 . 1 1 116 116 LEU CD1 C 13 25.970 0.3 . 1 . . . . . 116 LEU CD1 . 27876 1 1417 . 1 1 116 116 LEU CD2 C 13 22.927 0.3 . 1 . . . . . 116 LEU CD2 . 27876 1 1418 . 1 1 116 116 LEU N N 15 116.896 0.3 . 1 . . . . . 116 LEU N . 27876 1 1419 . 1 1 117 117 LEU H H 1 6.979 0.020 . 1 . . . . . 117 LEU H . 27876 1 1420 . 1 1 117 117 LEU HA H 1 4.951 0.020 . 1 . . . . . 117 LEU HA . 27876 1 1421 . 1 1 117 117 LEU HB2 H 1 1.184 0.020 . 2 . . . . . 117 LEU HB2 . 27876 1 1422 . 1 1 117 117 LEU HB3 H 1 1.208 0.020 . 2 . . . . . 117 LEU HB3 . 27876 1 1423 . 1 1 117 117 LEU HG H 1 1.343 0.020 . 1 . . . . . 117 LEU HG . 27876 1 1424 . 1 1 117 117 LEU HD11 H 1 0.674 0.020 . 2 . . . . . 117 LEU HD1 . 27876 1 1425 . 1 1 117 117 LEU HD12 H 1 0.674 0.020 . 2 . . . . . 117 LEU HD1 . 27876 1 1426 . 1 1 117 117 LEU HD13 H 1 0.674 0.020 . 2 . . . . . 117 LEU HD1 . 27876 1 1427 . 1 1 117 117 LEU HD21 H 1 0.907 0.020 . 2 . . . . . 117 LEU HD2 . 27876 1 1428 . 1 1 117 117 LEU HD22 H 1 0.907 0.020 . 2 . . . . . 117 LEU HD2 . 27876 1 1429 . 1 1 117 117 LEU HD23 H 1 0.907 0.020 . 2 . . . . . 117 LEU HD2 . 27876 1 1430 . 1 1 117 117 LEU C C 13 173.556 0.3 . 1 . . . . . 117 LEU C . 27876 1 1431 . 1 1 117 117 LEU CA C 13 50.326 0.3 . 1 . . . . . 117 LEU CA . 27876 1 1432 . 1 1 117 117 LEU CB C 13 45.496 0.3 . 1 . . . . . 117 LEU CB . 27876 1 1433 . 1 1 117 117 LEU CG C 13 26.681 0.3 . 1 . . . . . 117 LEU CG . 27876 1 1434 . 1 1 117 117 LEU CD1 C 13 26.338 0.3 . 1 . . . . . 117 LEU CD1 . 27876 1 1435 . 1 1 117 117 LEU CD2 C 13 24.080 0.3 . 1 . . . . . 117 LEU CD2 . 27876 1 1436 . 1 1 117 117 LEU N N 15 112.681 0.3 . 1 . . . . . 117 LEU N . 27876 1 1437 . 1 1 118 118 PRO HA H 1 4.558 0.020 . 1 . . . . . 118 PRO HA . 27876 1 1438 . 1 1 118 118 PRO HB2 H 1 2.414 0.020 . 2 . . . . . 118 PRO HB2 . 27876 1 1439 . 1 1 118 118 PRO HB3 H 1 2.094 0.020 . 2 . . . . . 118 PRO HB3 . 27876 1 1440 . 1 1 118 118 PRO HG2 H 1 2.138 0.020 . 2 . . . . . 118 PRO HG2 . 27876 1 1441 . 1 1 118 118 PRO HG3 H 1 2.122 0.020 . 2 . . . . . 118 PRO HG3 . 27876 1 1442 . 1 1 118 118 PRO HD2 H 1 3.409 0.020 . 2 . . . . . 118 PRO HD2 . 27876 1 1443 . 1 1 118 118 PRO HD3 H 1 3.807 0.020 . 2 . . . . . 118 PRO HD3 . 27876 1 1444 . 1 1 118 118 PRO C C 13 177.571 0.3 . 1 . . . . . 118 PRO C . 27876 1 1445 . 1 1 118 118 PRO CA C 13 61.805 0.3 . 1 . . . . . 118 PRO CA . 27876 1 1446 . 1 1 118 118 PRO CB C 13 32.427 0.3 . 1 . . . . . 118 PRO CB . 27876 1 1447 . 1 1 118 118 PRO CG C 13 27.409 0.3 . 1 . . . . . 118 PRO CG . 27876 1 1448 . 1 1 118 118 PRO CD C 13 50.337 0.3 . 1 . . . . . 118 PRO CD . 27876 1 1449 . 1 1 119 119 GLU H H 1 8.621 0.020 . 1 . . . . . 119 GLU H . 27876 1 1450 . 1 1 119 119 GLU HA H 1 2.813 0.020 . 1 . . . . . 119 GLU HA . 27876 1 1451 . 1 1 119 119 GLU HB2 H 1 1.682 0.020 . 2 . . . . . 119 GLU HB2 . 27876 1 1452 . 1 1 119 119 GLU HB3 H 1 1.633 0.020 . 2 . . . . . 119 GLU HB3 . 27876 1 1453 . 1 1 119 119 GLU HG2 H 1 1.931 0.020 . 2 . . . . . 119 GLU HG2 . 27876 1 1454 . 1 1 119 119 GLU HG3 H 1 1.825 0.020 . 2 . . . . . 119 GLU HG3 . 27876 1 1455 . 1 1 119 119 GLU C C 13 177.509 0.3 . 1 . . . . . 119 GLU C . 27876 1 1456 . 1 1 119 119 GLU CA C 13 59.208 0.3 . 1 . . . . . 119 GLU CA . 27876 1 1457 . 1 1 119 119 GLU CB C 13 29.830 0.3 . 1 . . . . . 119 GLU CB . 27876 1 1458 . 1 1 119 119 GLU CG C 13 35.167 0.3 . 1 . . . . . 119 GLU CG . 27876 1 1459 . 1 1 119 119 GLU N N 15 123.768 0.3 . 1 . . . . . 119 GLU N . 27876 1 1460 . 1 1 120 120 ASP H H 1 8.435 0.020 . 1 . . . . . 120 ASP H . 27876 1 1461 . 1 1 120 120 ASP HA H 1 4.078 0.020 . 1 . . . . . 120 ASP HA . 27876 1 1462 . 1 1 120 120 ASP HB2 H 1 2.550 0.020 . 1 . . . . . 120 ASP HB2 . 27876 1 1463 . 1 1 120 120 ASP HB3 H 1 2.550 0.020 . 1 . . . . . 120 ASP HB3 . 27876 1 1464 . 1 1 120 120 ASP C C 13 178.230 0.3 . 1 . . . . . 120 ASP C . 27876 1 1465 . 1 1 120 120 ASP CA C 13 56.998 0.3 . 1 . . . . . 120 ASP CA . 27876 1 1466 . 1 1 120 120 ASP CB C 13 40.083 0.3 . 1 . . . . . 120 ASP CB . 27876 1 1467 . 1 1 120 120 ASP N N 15 115.163 0.3 . 1 . . . . . 120 ASP N . 27876 1 1468 . 1 1 121 121 LEU H H 1 6.956 0.020 . 1 . . . . . 121 LEU H . 27876 1 1469 . 1 1 121 121 LEU HA H 1 4.011 0.020 . 1 . . . . . 121 LEU HA . 27876 1 1470 . 1 1 121 121 LEU HB2 H 1 1.801 0.020 . 2 . . . . . 121 LEU HB2 . 27876 1 1471 . 1 1 121 121 LEU HB3 H 1 1.713 0.020 . 2 . . . . . 121 LEU HB3 . 27876 1 1472 . 1 1 121 121 LEU HG H 1 1.780 0.020 . 1 . . . . . 121 LEU HG . 27876 1 1473 . 1 1 121 121 LEU HD11 H 1 0.998 0.020 . 2 . . . . . 121 LEU HD1 . 27876 1 1474 . 1 1 121 121 LEU HD12 H 1 0.998 0.020 . 2 . . . . . 121 LEU HD1 . 27876 1 1475 . 1 1 121 121 LEU HD13 H 1 0.998 0.020 . 2 . . . . . 121 LEU HD1 . 27876 1 1476 . 1 1 121 121 LEU HD21 H 1 0.957 0.020 . 2 . . . . . 121 LEU HD2 . 27876 1 1477 . 1 1 121 121 LEU HD22 H 1 0.957 0.020 . 2 . . . . . 121 LEU HD2 . 27876 1 1478 . 1 1 121 121 LEU HD23 H 1 0.957 0.020 . 2 . . . . . 121 LEU HD2 . 27876 1 1479 . 1 1 121 121 LEU C C 13 178.174 0.3 . 1 . . . . . 121 LEU C . 27876 1 1480 . 1 1 121 121 LEU CA C 13 58.281 0.3 . 1 . . . . . 121 LEU CA . 27876 1 1481 . 1 1 121 121 LEU CB C 13 42.925 0.3 . 1 . . . . . 121 LEU CB . 27876 1 1482 . 1 1 121 121 LEU CG C 13 27.757 0.3 . 1 . . . . . 121 LEU CG . 27876 1 1483 . 1 1 121 121 LEU CD1 C 13 26.378 0.3 . 1 . . . . . 121 LEU CD1 . 27876 1 1484 . 1 1 121 121 LEU CD2 C 13 26.075 0.3 . 1 . . . . . 121 LEU CD2 . 27876 1 1485 . 1 1 121 121 LEU N N 15 121.446 0.3 . 1 . . . . . 121 LEU N . 27876 1 1486 . 1 1 122 122 CYS H H 1 7.097 0.020 . 1 . . . . . 122 CYS H . 27876 1 1487 . 1 1 122 122 CYS HA H 1 4.203 0.020 . 1 . . . . . 122 CYS HA . 27876 1 1488 . 1 1 122 122 CYS HB2 H 1 3.612 0.020 . 2 . . . . . 122 CYS HB2 . 27876 1 1489 . 1 1 122 122 CYS HB3 H 1 2.915 0.020 . 2 . . . . . 122 CYS HB3 . 27876 1 1490 . 1 1 122 122 CYS C C 13 178.174 0.3 . 1 . . . . . 122 CYS C . 27876 1 1491 . 1 1 122 122 CYS CA C 13 63.172 0.3 . 1 . . . . . 122 CYS CA . 27876 1 1492 . 1 1 122 122 CYS CB C 13 26.362 0.3 . 1 . . . . . 122 CYS CB . 27876 1 1493 . 1 1 122 122 CYS N N 15 117.304 0.3 . 1 . . . . . 122 CYS N . 27876 1 1494 . 1 1 123 123 ARG H H 1 8.257 0.020 . 1 . . . . . 123 ARG H . 27876 1 1495 . 1 1 123 123 ARG HA H 1 4.011 0.020 . 1 . . . . . 123 ARG HA . 27876 1 1496 . 1 1 123 123 ARG HB2 H 1 1.769 0.020 . 2 . . . . . 123 ARG HB2 . 27876 1 1497 . 1 1 123 123 ARG HB3 H 1 1.696 0.020 . 2 . . . . . 123 ARG HB3 . 27876 1 1498 . 1 1 123 123 ARG HD2 H 1 3.208 0.020 . 2 . . . . . 123 ARG HD2 . 27876 1 1499 . 1 1 123 123 ARG HD3 H 1 3.082 0.020 . 2 . . . . . 123 ARG HD3 . 27876 1 1500 . 1 1 123 123 ARG C C 13 178.479 0.3 . 1 . . . . . 123 ARG C . 27876 1 1501 . 1 1 123 123 ARG CA C 13 59.550 0.3 . 1 . . . . . 123 ARG CA . 27876 1 1502 . 1 1 123 123 ARG CB C 13 30.665 0.3 . 1 . . . . . 123 ARG CB . 27876 1 1503 . 1 1 123 123 ARG CD C 13 43.120 0.3 . 1 . . . . . 123 ARG CD . 27876 1 1504 . 1 1 123 123 ARG N N 15 115.935 0.3 . 1 . . . . . 123 ARG N . 27876 1 1505 . 1 1 124 124 ARG H H 1 7.962 0.020 . 1 . . . . . 124 ARG H . 27876 1 1506 . 1 1 124 124 ARG HA H 1 3.847 0.020 . 1 . . . . . 124 ARG HA . 27876 1 1507 . 1 1 124 124 ARG HB2 H 1 1.767 0.020 . 2 . . . . . 124 ARG HB2 . 27876 1 1508 . 1 1 124 124 ARG HB3 H 1 1.368 0.020 . 2 . . . . . 124 ARG HB3 . 27876 1 1509 . 1 1 124 124 ARG HG2 H 1 1.065 0.020 . 2 . . . . . 124 ARG HG2 . 27876 1 1510 . 1 1 124 124 ARG HG3 H 1 0.645 0.020 . 2 . . . . . 124 ARG HG3 . 27876 1 1511 . 1 1 124 124 ARG HD2 H 1 2.838 0.020 . 2 . . . . . 124 ARG HD2 . 27876 1 1512 . 1 1 124 124 ARG HD3 H 1 2.747 0.020 . 2 . . . . . 124 ARG HD3 . 27876 1 1513 . 1 1 124 124 ARG C C 13 178.119 0.3 . 1 . . . . . 124 ARG C . 27876 1 1514 . 1 1 124 124 ARG CA C 13 59.172 0.3 . 1 . . . . . 124 ARG CA . 27876 1 1515 . 1 1 124 124 ARG CB C 13 30.230 0.3 . 1 . . . . . 124 ARG CB . 27876 1 1516 . 1 1 124 124 ARG CG C 13 26.566 0.3 . 1 . . . . . 124 ARG CG . 27876 1 1517 . 1 1 124 124 ARG CD C 13 43.499 0.3 . 1 . . . . . 124 ARG CD . 27876 1 1518 . 1 1 124 124 ARG N N 15 118.844 0.3 . 1 . . . . . 124 ARG N . 27876 1 1519 . 1 1 125 125 TYR H H 1 7.245 0.020 . 1 . . . . . 125 TYR H . 27876 1 1520 . 1 1 125 125 TYR HA H 1 4.888 0.020 . 1 . . . . . 125 TYR HA . 27876 1 1521 . 1 1 125 125 TYR HB2 H 1 3.192 0.020 . 2 . . . . . 125 TYR HB2 . 27876 1 1522 . 1 1 125 125 TYR HB3 H 1 2.587 0.020 . 2 . . . . . 125 TYR HB3 . 27876 1 1523 . 1 1 125 125 TYR HD1 H 1 7.149 0.020 . 1 . . . . . 125 TYR HD1 . 27876 1 1524 . 1 1 125 125 TYR HD2 H 1 7.149 0.020 . 1 . . . . . 125 TYR HD2 . 27876 1 1525 . 1 1 125 125 TYR HE1 H 1 6.906 0.020 . 1 . . . . . 125 TYR HE1 . 27876 1 1526 . 1 1 125 125 TYR HE2 H 1 6.906 0.020 . 1 . . . . . 125 TYR HE2 . 27876 1 1527 . 1 1 125 125 TYR C C 13 176.205 0.3 . 1 . . . . . 125 TYR C . 27876 1 1528 . 1 1 125 125 TYR CA C 13 57.472 0.3 . 1 . . . . . 125 TYR CA . 27876 1 1529 . 1 1 125 125 TYR CB C 13 41.686 0.3 . 1 . . . . . 125 TYR CB . 27876 1 1530 . 1 1 125 125 TYR CD1 C 13 132.495 0.3 . 1 . . . . . 125 TYR CD1 . 27876 1 1531 . 1 1 125 125 TYR CD2 C 13 132.495 0.3 . 1 . . . . . 125 TYR CD2 . 27876 1 1532 . 1 1 125 125 TYR CE1 C 13 118.295 0.3 . 1 . . . . . 125 TYR CE1 . 27876 1 1533 . 1 1 125 125 TYR CE2 C 13 118.295 0.3 . 1 . . . . . 125 TYR CE2 . 27876 1 1534 . 1 1 125 125 TYR N N 15 111.567 0.3 . 1 . . . . . 125 TYR N . 27876 1 1535 . 1 1 126 126 GLY H H 1 8.255 0.020 . 1 . . . . . 126 GLY H . 27876 1 1536 . 1 1 126 126 GLY HA2 H 1 3.852 0.020 . 2 . . . . . 126 GLY HA2 . 27876 1 1537 . 1 1 126 126 GLY HA3 H 1 3.877 0.020 . 2 . . . . . 126 GLY HA3 . 27876 1 1538 . 1 1 126 126 GLY C C 13 173.584 0.3 . 1 . . . . . 126 GLY C . 27876 1 1539 . 1 1 126 126 GLY CA C 13 48.358 0.3 . 1 . . . . . 126 GLY CA . 27876 1 1540 . 1 1 126 126 GLY N N 15 113.583 0.3 . 1 . . . . . 126 GLY N . 27876 1 1541 . 1 1 127 127 VAL H H 1 7.860 0.020 . 1 . . . . . 127 VAL H . 27876 1 1542 . 1 1 127 127 VAL HA H 1 5.590 0.020 . 1 . . . . . 127 VAL HA . 27876 1 1543 . 1 1 127 127 VAL HB H 1 2.063 0.020 . 1 . . . . . 127 VAL HB . 27876 1 1544 . 1 1 127 127 VAL HG11 H 1 0.730 0.020 . 2 . . . . . 127 VAL HG1 . 27876 1 1545 . 1 1 127 127 VAL HG12 H 1 0.730 0.020 . 2 . . . . . 127 VAL HG1 . 27876 1 1546 . 1 1 127 127 VAL HG13 H 1 0.730 0.020 . 2 . . . . . 127 VAL HG1 . 27876 1 1547 . 1 1 127 127 VAL HG21 H 1 0.836 0.020 . 2 . . . . . 127 VAL HG2 . 27876 1 1548 . 1 1 127 127 VAL HG22 H 1 0.836 0.020 . 2 . . . . . 127 VAL HG2 . 27876 1 1549 . 1 1 127 127 VAL HG23 H 1 0.836 0.020 . 2 . . . . . 127 VAL HG2 . 27876 1 1550 . 1 1 127 127 VAL C C 13 173.930 0.3 . 1 . . . . . 127 VAL C . 27876 1 1551 . 1 1 127 127 VAL CA C 13 57.274 0.3 . 1 . . . . . 127 VAL CA . 27876 1 1552 . 1 1 127 127 VAL CB C 13 34.704 0.3 . 1 . . . . . 127 VAL CB . 27876 1 1553 . 1 1 127 127 VAL CG1 C 13 19.288 0.3 . 1 . . . . . 127 VAL CG1 . 27876 1 1554 . 1 1 127 127 VAL CG2 C 13 23.390 0.3 . 1 . . . . . 127 VAL CG2 . 27876 1 1555 . 1 1 127 127 VAL N N 15 109.598 0.3 . 1 . . . . . 127 VAL N . 27876 1 1556 . 1 1 128 128 PHE H H 1 8.432 0.020 . 1 . . . . . 128 PHE H . 27876 1 1557 . 1 1 128 128 PHE HA H 1 5.074 0.020 . 1 . . . . . 128 PHE HA . 27876 1 1558 . 1 1 128 128 PHE HB2 H 1 3.109 0.020 . 2 . . . . . 128 PHE HB2 . 27876 1 1559 . 1 1 128 128 PHE HB3 H 1 2.676 0.020 . 2 . . . . . 128 PHE HB3 . 27876 1 1560 . 1 1 128 128 PHE HD1 H 1 7.144 0.020 . 1 . . . . . 128 PHE HD1 . 27876 1 1561 . 1 1 128 128 PHE HD2 H 1 7.144 0.020 . 1 . . . . . 128 PHE HD2 . 27876 1 1562 . 1 1 128 128 PHE C C 13 172.987 0.3 . 1 . . . . . 128 PHE C . 27876 1 1563 . 1 1 128 128 PHE CA C 13 56.507 0.3 . 1 . . . . . 128 PHE CA . 27876 1 1564 . 1 1 128 128 PHE CB C 13 44.619 0.3 . 1 . . . . . 128 PHE CB . 27876 1 1565 . 1 1 128 128 PHE CD1 C 13 132.326 0.3 . 1 . . . . . 128 PHE CD1 . 27876 1 1566 . 1 1 128 128 PHE CD2 C 13 132.326 0.3 . 1 . . . . . 128 PHE CD2 . 27876 1 1567 . 1 1 128 128 PHE N N 15 115.923 0.3 . 1 . . . . . 128 PHE N . 27876 1 1568 . 1 1 129 129 PRO HA H 1 4.316 0.020 . 1 . . . . . 129 PRO HA . 27876 1 1569 . 1 1 129 129 PRO HB2 H 1 1.629 0.020 . 2 . . . . . 129 PRO HB2 . 27876 1 1570 . 1 1 129 129 PRO HB3 H 1 1.523 0.020 . 2 . . . . . 129 PRO HB3 . 27876 1 1571 . 1 1 129 129 PRO HG2 H 1 1.438 0.020 . 2 . . . . . 129 PRO HG2 . 27876 1 1572 . 1 1 129 129 PRO HG3 H 1 1.295 0.020 . 2 . . . . . 129 PRO HG3 . 27876 1 1573 . 1 1 129 129 PRO HD2 H 1 3.306 0.020 . 2 . . . . . 129 PRO HD2 . 27876 1 1574 . 1 1 129 129 PRO HD3 H 1 2.187 0.020 . 2 . . . . . 129 PRO HD3 . 27876 1 1575 . 1 1 129 129 PRO C C 13 171.226 0.3 . 1 . . . . . 129 PRO C . 27876 1 1576 . 1 1 129 129 PRO CA C 13 62.291 0.3 . 1 . . . . . 129 PRO CA . 27876 1 1577 . 1 1 129 129 PRO CB C 13 31.476 0.3 . 1 . . . . . 129 PRO CB . 27876 1 1578 . 1 1 129 129 PRO CG C 13 27.757 0.3 . 1 . . . . . 129 PRO CG . 27876 1 1579 . 1 1 129 129 PRO CD C 13 50.112 0.3 . 1 . . . . . 129 PRO CD . 27876 1 1580 . 1 1 130 130 HIS H H 1 8.749 0.020 . 1 . . . . . 130 HIS H . 27876 1 1581 . 1 1 130 130 HIS HA H 1 4.622 0.020 . 1 . . . . . 130 HIS HA . 27876 1 1582 . 1 1 130 130 HIS HB2 H 1 2.908 0.020 . 2 . . . . . 130 HIS HB2 . 27876 1 1583 . 1 1 130 130 HIS HB3 H 1 2.802 0.020 . 2 . . . . . 130 HIS HB3 . 27876 1 1584 . 1 1 130 130 HIS HD2 H 1 7.040 0.020 . 1 . . . . . 130 HIS HD2 . 27876 1 1585 . 1 1 130 130 HIS HE1 H 1 7.449 0.020 . 1 . . . . . 130 HIS HE1 . 27876 1 1586 . 1 1 130 130 HIS C C 13 174.471 0.3 . 1 . . . . . 130 HIS C . 27876 1 1587 . 1 1 130 130 HIS CA C 13 59.167 0.3 . 1 . . . . . 130 HIS CA . 27876 1 1588 . 1 1 130 130 HIS CB C 13 35.764 0.3 . 1 . . . . . 130 HIS CB . 27876 1 1589 . 1 1 130 130 HIS CD2 C 13 131.208 0.3 . 1 . . . . . 130 HIS CD2 . 27876 1 1590 . 1 1 130 130 HIS CE1 C 13 139.302 0.3 . 1 . . . . . 130 HIS CE1 . 27876 1 1591 . 1 1 130 130 HIS N N 15 123.547 0.3 . 1 . . . . . 130 HIS N . 27876 1 1592 . 1 1 131 131 ARG H H 1 7.048 0.020 . 1 . . . . . 131 ARG H . 27876 1 1593 . 1 1 131 131 ARG HA H 1 4.244 0.020 . 1 . . . . . 131 ARG HA . 27876 1 1594 . 1 1 131 131 ARG HB2 H 1 1.826 0.020 . 2 . . . . . 131 ARG HB2 . 27876 1 1595 . 1 1 131 131 ARG HB3 H 1 1.550 0.020 . 2 . . . . . 131 ARG HB3 . 27876 1 1596 . 1 1 131 131 ARG HG2 H 1 1.396 0.020 . 2 . . . . . 131 ARG HG2 . 27876 1 1597 . 1 1 131 131 ARG HG3 H 1 1.072 0.020 . 2 . . . . . 131 ARG HG3 . 27876 1 1598 . 1 1 131 131 ARG HD2 H 1 3.104 0.020 . 2 . . . . . 131 ARG HD2 . 27876 1 1599 . 1 1 131 131 ARG HD3 H 1 3.062 0.020 . 2 . . . . . 131 ARG HD3 . 27876 1 1600 . 1 1 131 131 ARG C C 13 173.029 0.3 . 1 . . . . . 131 ARG C . 27876 1 1601 . 1 1 131 131 ARG CA C 13 55.176 0.3 . 1 . . . . . 131 ARG CA . 27876 1 1602 . 1 1 131 131 ARG CB C 13 32.519 0.3 . 1 . . . . . 131 ARG CB . 27876 1 1603 . 1 1 131 131 ARG CG C 13 26.566 0.3 . 1 . . . . . 131 ARG CG . 27876 1 1604 . 1 1 131 131 ARG CD C 13 43.239 0.3 . 1 . . . . . 131 ARG CD . 27876 1 1605 . 1 1 131 131 ARG N N 15 108.269 0.3 . 1 . . . . . 131 ARG N . 27876 1 1606 . 1 1 132 132 LEU H H 1 8.632 0.020 . 1 . . . . . 132 LEU H . 27876 1 1607 . 1 1 132 132 LEU HA H 1 4.912 0.020 . 1 . . . . . 132 LEU HA . 27876 1 1608 . 1 1 132 132 LEU HB2 H 1 1.403 0.020 . 2 . . . . . 132 LEU HB2 . 27876 1 1609 . 1 1 132 132 LEU HB3 H 1 1.201 0.020 . 2 . . . . . 132 LEU HB3 . 27876 1 1610 . 1 1 132 132 LEU HG H 1 1.108 0.020 . 1 . . . . . 132 LEU HG . 27876 1 1611 . 1 1 132 132 LEU HD11 H 1 0.258 0.020 . 2 . . . . . 132 LEU HD1 . 27876 1 1612 . 1 1 132 132 LEU HD12 H 1 0.258 0.020 . 2 . . . . . 132 LEU HD1 . 27876 1 1613 . 1 1 132 132 LEU HD13 H 1 0.258 0.020 . 2 . . . . . 132 LEU HD1 . 27876 1 1614 . 1 1 132 132 LEU HD21 H 1 0.218 0.020 . 2 . . . . . 132 LEU HD2 . 27876 1 1615 . 1 1 132 132 LEU HD22 H 1 0.218 0.020 . 2 . . . . . 132 LEU HD2 . 27876 1 1616 . 1 1 132 132 LEU HD23 H 1 0.218 0.020 . 2 . . . . . 132 LEU HD2 . 27876 1 1617 . 1 1 132 132 LEU C C 13 176.219 0.3 . 1 . . . . . 132 LEU C . 27876 1 1618 . 1 1 132 132 LEU CA C 13 53.551 0.3 . 1 . . . . . 132 LEU CA . 27876 1 1619 . 1 1 132 132 LEU CB C 13 43.245 0.3 . 1 . . . . . 132 LEU CB . 27876 1 1620 . 1 1 132 132 LEU CG C 13 26.617 0.3 . 1 . . . . . 132 LEU CG . 27876 1 1621 . 1 1 132 132 LEU CD1 C 13 24.032 0.3 . 1 . . . . . 132 LEU CD1 . 27876 1 1622 . 1 1 132 132 LEU CD2 C 13 23.499 0.3 . 1 . . . . . 132 LEU CD2 . 27876 1 1623 . 1 1 132 132 LEU N N 15 123.320 0.3 . 1 . . . . . 132 LEU N . 27876 1 1624 . 1 1 133 133 GLU H H 1 8.984 0.020 . 1 . . . . . 133 GLU H . 27876 1 1625 . 1 1 133 133 GLU HA H 1 4.491 0.020 . 1 . . . . . 133 GLU HA . 27876 1 1626 . 1 1 133 133 GLU HB2 H 1 1.907 0.020 . 2 . . . . . 133 GLU HB2 . 27876 1 1627 . 1 1 133 133 GLU HB3 H 1 1.794 0.020 . 2 . . . . . 133 GLU HB3 . 27876 1 1628 . 1 1 133 133 GLU HG2 H 1 2.100 0.020 . 1 . . . . . 133 GLU HG2 . 27876 1 1629 . 1 1 133 133 GLU HG3 H 1 2.100 0.020 . 1 . . . . . 133 GLU HG3 . 27876 1 1630 . 1 1 133 133 GLU C C 13 176.510 0.3 . 1 . . . . . 133 GLU C . 27876 1 1631 . 1 1 133 133 GLU CA C 13 54.517 0.3 . 1 . . . . . 133 GLU CA . 27876 1 1632 . 1 1 133 133 GLU CB C 13 30.732 0.3 . 1 . . . . . 133 GLU CB . 27876 1 1633 . 1 1 133 133 GLU CG C 13 35.972 0.3 . 1 . . . . . 133 GLU CG . 27876 1 1634 . 1 1 133 133 GLU N N 15 126.610 0.3 . 1 . . . . . 133 GLU N . 27876 1 1635 . 1 1 134 134 GLY H H 1 8.737 0.020 . 1 . . . . . 134 GLY H . 27876 1 1636 . 1 1 134 134 GLY HA2 H 1 3.948 0.020 . 2 . . . . . 134 GLY HA2 . 27876 1 1637 . 1 1 134 134 GLY HA3 H 1 3.594 0.020 . 2 . . . . . 134 GLY HA3 . 27876 1 1638 . 1 1 134 134 GLY C C 13 173.750 0.3 . 1 . . . . . 134 GLY C . 27876 1 1639 . 1 1 134 134 GLY CA C 13 47.520 0.3 . 1 . . . . . 134 GLY CA . 27876 1 1640 . 1 1 134 134 GLY N N 15 116.409 0.3 . 1 . . . . . 134 GLY N . 27876 1 1641 . 1 1 135 135 ASN H H 1 8.544 0.020 . 1 . . . . . 135 ASN H . 27876 1 1642 . 1 1 135 135 ASN HA H 1 4.775 0.020 . 1 . . . . . 135 ASN HA . 27876 1 1643 . 1 1 135 135 ASN HB2 H 1 2.952 0.020 . 2 . . . . . 135 ASN HB2 . 27876 1 1644 . 1 1 135 135 ASN HB3 H 1 2.897 0.020 . 2 . . . . . 135 ASN HB3 . 27876 1 1645 . 1 1 135 135 ASN C C 13 173.473 0.3 . 1 . . . . . 135 ASN C . 27876 1 1646 . 1 1 135 135 ASN CA C 13 52.644 0.3 . 1 . . . . . 135 ASN CA . 27876 1 1647 . 1 1 135 135 ASN CB C 13 39.074 0.3 . 1 . . . . . 135 ASN CB . 27876 1 1648 . 1 1 135 135 ASN N N 15 124.619 0.3 . 1 . . . . . 135 ASN N . 27876 1 1649 . 1 1 136 136 ARG H H 1 7.861 0.020 . 1 . . . . . 136 ARG H . 27876 1 1650 . 1 1 136 136 ARG HA H 1 4.905 0.020 . 1 . . . . . 136 ARG HA . 27876 1 1651 . 1 1 136 136 ARG HB2 H 1 1.851 0.020 . 2 . . . . . 136 ARG HB2 . 27876 1 1652 . 1 1 136 136 ARG HB3 H 1 1.662 0.020 . 2 . . . . . 136 ARG HB3 . 27876 1 1653 . 1 1 136 136 ARG HG2 H 1 1.541 0.020 . 2 . . . . . 136 ARG HG2 . 27876 1 1654 . 1 1 136 136 ARG HG3 H 1 1.407 0.020 . 2 . . . . . 136 ARG HG3 . 27876 1 1655 . 1 1 136 136 ARG HD2 H 1 3.153 0.020 . 1 . . . . . 136 ARG HD2 . 27876 1 1656 . 1 1 136 136 ARG HD3 H 1 3.153 0.020 . 1 . . . . . 136 ARG HD3 . 27876 1 1657 . 1 1 136 136 ARG C C 13 173.662 0.3 . 1 . . . . . 136 ARG C . 27876 1 1658 . 1 1 136 136 ARG CA C 13 54.773 0.3 . 1 . . . . . 136 ARG CA . 27876 1 1659 . 1 1 136 136 ARG CB C 13 32.188 0.3 . 1 . . . . . 136 ARG CB . 27876 1 1660 . 1 1 136 136 ARG CG C 13 27.624 0.3 . 1 . . . . . 136 ARG CG . 27876 1 1661 . 1 1 136 136 ARG CD C 13 43.900 0.3 . 1 . . . . . 136 ARG CD . 27876 1 1662 . 1 1 136 136 ARG N N 15 119.144 0.3 . 1 . . . . . 136 ARG N . 27876 1 1663 . 1 1 137 137 LEU H H 1 8.965 0.020 . 1 . . . . . 137 LEU H . 27876 1 1664 . 1 1 137 137 LEU HA H 1 4.596 0.020 . 1 . . . . . 137 LEU HA . 27876 1 1665 . 1 1 137 137 LEU HB2 H 1 1.726 0.020 . 2 . . . . . 137 LEU HB2 . 27876 1 1666 . 1 1 137 137 LEU HB3 H 1 0.915 0.020 . 2 . . . . . 137 LEU HB3 . 27876 1 1667 . 1 1 137 137 LEU HG H 1 1.235 0.020 . 1 . . . . . 137 LEU HG . 27876 1 1668 . 1 1 137 137 LEU HD11 H 1 0.707 0.020 . 2 . . . . . 137 LEU HD1 . 27876 1 1669 . 1 1 137 137 LEU HD12 H 1 0.707 0.020 . 2 . . . . . 137 LEU HD1 . 27876 1 1670 . 1 1 137 137 LEU HD13 H 1 0.707 0.020 . 2 . . . . . 137 LEU HD1 . 27876 1 1671 . 1 1 137 137 LEU HD21 H 1 0.638 0.020 . 2 . . . . . 137 LEU HD2 . 27876 1 1672 . 1 1 137 137 LEU HD22 H 1 0.638 0.020 . 2 . . . . . 137 LEU HD2 . 27876 1 1673 . 1 1 137 137 LEU HD23 H 1 0.638 0.020 . 2 . . . . . 137 LEU HD2 . 27876 1 1674 . 1 1 137 137 LEU C C 13 174.707 0.3 . 1 . . . . . 137 LEU C . 27876 1 1675 . 1 1 137 137 LEU CA C 13 53.462 0.3 . 1 . . . . . 137 LEU CA . 27876 1 1676 . 1 1 137 137 LEU CB C 13 43.377 0.3 . 1 . . . . . 137 LEU CB . 27876 1 1677 . 1 1 137 137 LEU CG C 13 27.363 0.3 . 1 . . . . . 137 LEU CG . 27876 1 1678 . 1 1 137 137 LEU CD1 C 13 26.377 0.3 . 1 . . . . . 137 LEU CD1 . 27876 1 1679 . 1 1 137 137 LEU CD2 C 13 23.846 0.3 . 1 . . . . . 137 LEU CD2 . 27876 1 1680 . 1 1 137 137 LEU N N 15 126.340 0.3 . 1 . . . . . 137 LEU N . 27876 1 1681 . 1 1 138 138 VAL H H 1 8.901 0.020 . 1 . . . . . 138 VAL H . 27876 1 1682 . 1 1 138 138 VAL HA H 1 4.631 0.020 . 1 . . . . . 138 VAL HA . 27876 1 1683 . 1 1 138 138 VAL HB H 1 2.111 0.020 . 1 . . . . . 138 VAL HB . 27876 1 1684 . 1 1 138 138 VAL HG11 H 1 0.810 0.020 . 2 . . . . . 138 VAL HG1 . 27876 1 1685 . 1 1 138 138 VAL HG12 H 1 0.810 0.020 . 2 . . . . . 138 VAL HG1 . 27876 1 1686 . 1 1 138 138 VAL HG13 H 1 0.810 0.020 . 2 . . . . . 138 VAL HG1 . 27876 1 1687 . 1 1 138 138 VAL HG21 H 1 0.886 0.020 . 2 . . . . . 138 VAL HG2 . 27876 1 1688 . 1 1 138 138 VAL HG22 H 1 0.886 0.020 . 2 . . . . . 138 VAL HG2 . 27876 1 1689 . 1 1 138 138 VAL HG23 H 1 0.886 0.020 . 2 . . . . . 138 VAL HG2 . 27876 1 1690 . 1 1 138 138 VAL C C 13 173.847 0.3 . 1 . . . . . 138 VAL C . 27876 1 1691 . 1 1 138 138 VAL CA C 13 62.755 0.3 . 1 . . . . . 138 VAL CA . 27876 1 1692 . 1 1 138 138 VAL CB C 13 31.261 0.3 . 1 . . . . . 138 VAL CB . 27876 1 1693 . 1 1 138 138 VAL CG1 C 13 20.482 0.3 . 1 . . . . . 138 VAL CG1 . 27876 1 1694 . 1 1 138 138 VAL CG2 C 13 20.531 0.3 . 1 . . . . . 138 VAL CG2 . 27876 1 1695 . 1 1 138 138 VAL N N 15 129.546 0.3 . 1 . . . . . 138 VAL N . 27876 1 1696 . 1 1 139 139 LEU H H 1 8.147 0.020 . 1 . . . . . 139 LEU H . 27876 1 1697 . 1 1 139 139 LEU HA H 1 4.617 0.020 . 1 . . . . . 139 LEU HA . 27876 1 1698 . 1 1 139 139 LEU HB2 H 1 1.696 0.020 . 2 . . . . . 139 LEU HB2 . 27876 1 1699 . 1 1 139 139 LEU HB3 H 1 0.802 0.020 . 2 . . . . . 139 LEU HB3 . 27876 1 1700 . 1 1 139 139 LEU HG H 1 1.295 0.020 . 1 . . . . . 139 LEU HG . 27876 1 1701 . 1 1 139 139 LEU HD11 H 1 0.758 0.020 . 2 . . . . . 139 LEU HD1 . 27876 1 1702 . 1 1 139 139 LEU HD12 H 1 0.758 0.020 . 2 . . . . . 139 LEU HD1 . 27876 1 1703 . 1 1 139 139 LEU HD13 H 1 0.758 0.020 . 2 . . . . . 139 LEU HD1 . 27876 1 1704 . 1 1 139 139 LEU HD21 H 1 0.546 0.020 . 2 . . . . . 139 LEU HD2 . 27876 1 1705 . 1 1 139 139 LEU HD22 H 1 0.546 0.020 . 2 . . . . . 139 LEU HD2 . 27876 1 1706 . 1 1 139 139 LEU HD23 H 1 0.546 0.020 . 2 . . . . . 139 LEU HD2 . 27876 1 1707 . 1 1 139 139 LEU C C 13 174.873 0.3 . 1 . . . . . 139 LEU C . 27876 1 1708 . 1 1 139 139 LEU CA C 13 52.562 0.3 . 1 . . . . . 139 LEU CA . 27876 1 1709 . 1 1 139 139 LEU CB C 13 46.754 0.3 . 1 . . . . . 139 LEU CB . 27876 1 1710 . 1 1 139 139 LEU CG C 13 26.767 0.3 . 1 . . . . . 139 LEU CG . 27876 1 1711 . 1 1 139 139 LEU CD1 C 13 26.767 0.3 . 1 . . . . . 139 LEU CD1 . 27876 1 1712 . 1 1 139 139 LEU CD2 C 13 23.869 0.3 . 1 . . . . . 139 LEU CD2 . 27876 1 1713 . 1 1 139 139 LEU N N 15 132.614 0.3 . 1 . . . . . 139 LEU N . 27876 1 1714 . 1 1 140 140 LEU H H 1 9.067 0.020 . 1 . . . . . 140 LEU H . 27876 1 1715 . 1 1 140 140 LEU HA H 1 4.286 0.020 . 1 . . . . . 140 LEU HA . 27876 1 1716 . 1 1 140 140 LEU HB2 H 1 2.010 0.020 . 2 . . . . . 140 LEU HB2 . 27876 1 1717 . 1 1 140 140 LEU HB3 H 1 0.996 0.020 . 2 . . . . . 140 LEU HB3 . 27876 1 1718 . 1 1 140 140 LEU HG H 1 1.873 0.020 . 1 . . . . . 140 LEU HG . 27876 1 1719 . 1 1 140 140 LEU HD11 H 1 0.584 0.020 . 2 . . . . . 140 LEU HD1 . 27876 1 1720 . 1 1 140 140 LEU HD12 H 1 0.584 0.020 . 2 . . . . . 140 LEU HD1 . 27876 1 1721 . 1 1 140 140 LEU HD13 H 1 0.584 0.020 . 2 . . . . . 140 LEU HD1 . 27876 1 1722 . 1 1 140 140 LEU HD21 H 1 0.267 0.020 . 2 . . . . . 140 LEU HD2 . 27876 1 1723 . 1 1 140 140 LEU HD22 H 1 0.267 0.020 . 2 . . . . . 140 LEU HD2 . 27876 1 1724 . 1 1 140 140 LEU HD23 H 1 0.267 0.020 . 2 . . . . . 140 LEU HD2 . 27876 1 1725 . 1 1 140 140 LEU C C 13 177.425 0.3 . 1 . . . . . 140 LEU C . 27876 1 1726 . 1 1 140 140 LEU CA C 13 54.902 0.3 . 1 . . . . . 140 LEU CA . 27876 1 1727 . 1 1 140 140 LEU CB C 13 41.750 0.3 . 1 . . . . . 140 LEU CB . 27876 1 1728 . 1 1 140 140 LEU CG C 13 26.566 0.3 . 1 . . . . . 140 LEU CG . 27876 1 1729 . 1 1 140 140 LEU CD1 C 13 25.507 0.3 . 1 . . . . . 140 LEU CD1 . 27876 1 1730 . 1 1 140 140 LEU CD2 C 13 21.625 0.3 . 1 . . . . . 140 LEU CD2 . 27876 1 1731 . 1 1 140 140 LEU N N 15 124.365 0.3 . 1 . . . . . 140 LEU N . 27876 1 1732 . 1 1 141 141 MET H H 1 8.756 0.020 . 1 . . . . . 141 MET H . 27876 1 1733 . 1 1 141 141 MET HA H 1 4.881 0.020 . 1 . . . . . 141 MET HA . 27876 1 1734 . 1 1 141 141 MET HB2 H 1 1.499 0.020 . 2 . . . . . 141 MET HB2 . 27876 1 1735 . 1 1 141 141 MET HB3 H 1 1.472 0.020 . 2 . . . . . 141 MET HB3 . 27876 1 1736 . 1 1 141 141 MET HG2 H 1 2.649 0.020 . 2 . . . . . 141 MET HG2 . 27876 1 1737 . 1 1 141 141 MET HG3 H 1 2.121 0.020 . 2 . . . . . 141 MET HG3 . 27876 1 1738 . 1 1 141 141 MET C C 13 174.887 0.3 . 1 . . . . . 141 MET C . 27876 1 1739 . 1 1 141 141 MET CA C 13 54.966 0.3 . 1 . . . . . 141 MET CA . 27876 1 1740 . 1 1 141 141 MET CB C 13 37.154 0.3 . 1 . . . . . 141 MET CB . 27876 1 1741 . 1 1 141 141 MET CG C 13 31.351 0.3 . 1 . . . . . 141 MET CG . 27876 1 1742 . 1 1 141 141 MET N N 15 118.667 0.3 . 1 . . . . . 141 MET N . 27876 1 1743 . 1 1 142 142 LYS H H 1 8.245 0.020 . 1 . . . . . 142 LYS H . 27876 1 1744 . 1 1 142 142 LYS HA H 1 4.797 0.020 . 1 . . . . . 142 LYS HA . 27876 1 1745 . 1 1 142 142 LYS HB2 H 1 2.074 0.020 . 2 . . . . . 142 LYS HB2 . 27876 1 1746 . 1 1 142 142 LYS HB3 H 1 1.760 0.020 . 2 . . . . . 142 LYS HB3 . 27876 1 1747 . 1 1 142 142 LYS HG2 H 1 1.490 0.020 . 2 . . . . . 142 LYS HG2 . 27876 1 1748 . 1 1 142 142 LYS HG3 H 1 1.903 0.020 . 2 . . . . . 142 LYS HG3 . 27876 1 1749 . 1 1 142 142 LYS HD2 H 1 1.768 0.020 . 1 . . . . . 142 LYS HD2 . 27876 1 1750 . 1 1 142 142 LYS HD3 H 1 1.768 0.020 . 1 . . . . . 142 LYS HD3 . 27876 1 1751 . 1 1 142 142 LYS HE2 H 1 3.082 0.020 . 1 . . . . . 142 LYS HE2 . 27876 1 1752 . 1 1 142 142 LYS HE3 H 1 3.082 0.020 . 1 . . . . . 142 LYS HE3 . 27876 1 1753 . 1 1 142 142 LYS C C 13 177.453 0.3 . 1 . . . . . 142 LYS C . 27876 1 1754 . 1 1 142 142 LYS CA C 13 57.040 0.3 . 1 . . . . . 142 LYS CA . 27876 1 1755 . 1 1 142 142 LYS CB C 13 31.924 0.3 . 1 . . . . . 142 LYS CB . 27876 1 1756 . 1 1 142 142 LYS CG C 13 24.244 0.3 . 1 . . . . . 142 LYS CG . 27876 1 1757 . 1 1 142 142 LYS CD C 13 30.451 0.3 . 1 . . . . . 142 LYS CD . 27876 1 1758 . 1 1 142 142 LYS CE C 13 42.180 0.3 . 1 . . . . . 142 LYS CE . 27876 1 1759 . 1 1 142 142 LYS N N 15 120.159 0.3 . 1 . . . . . 142 LYS N . 27876 1 1760 . 1 1 143 143 ASP H H 1 8.280 0.020 . 1 . . . . . 143 ASP H . 27876 1 1761 . 1 1 143 143 ASP HA H 1 5.124 0.020 . 1 . . . . . 143 ASP HA . 27876 1 1762 . 1 1 143 143 ASP HB2 H 1 3.045 0.020 . 2 . . . . . 143 ASP HB2 . 27876 1 1763 . 1 1 143 143 ASP HB3 H 1 2.620 0.020 . 2 . . . . . 143 ASP HB3 . 27876 1 1764 . 1 1 143 143 ASP C C 13 174.263 0.3 . 1 . . . . . 143 ASP C . 27876 1 1765 . 1 1 143 143 ASP CA C 13 50.670 0.3 . 1 . . . . . 143 ASP CA . 27876 1 1766 . 1 1 143 143 ASP CB C 13 41.501 0.3 . 1 . . . . . 143 ASP CB . 27876 1 1767 . 1 1 143 143 ASP N N 15 116.775 0.3 . 1 . . . . . 143 ASP N . 27876 1 1768 . 1 1 144 144 PRO HA H 1 5.004 0.020 . 1 . . . . . 144 PRO HA . 27876 1 1769 . 1 1 144 144 PRO HB2 H 1 1.771 0.020 . 1 . . . . . 144 PRO HB2 . 27876 1 1770 . 1 1 144 144 PRO HB3 H 1 1.771 0.020 . 1 . . . . . 144 PRO HB3 . 27876 1 1771 . 1 1 144 144 PRO HG2 H 1 1.713 0.020 . 2 . . . . . 144 PRO HG2 . 27876 1 1772 . 1 1 144 144 PRO HG3 H 1 1.659 0.020 . 2 . . . . . 144 PRO HG3 . 27876 1 1773 . 1 1 144 144 PRO HD2 H 1 3.942 0.020 . 2 . . . . . 144 PRO HD2 . 27876 1 1774 . 1 1 144 144 PRO HD3 H 1 3.425 0.020 . 2 . . . . . 144 PRO HD3 . 27876 1 1775 . 1 1 144 144 PRO C C 13 174.873 0.3 . 1 . . . . . 144 PRO C . 27876 1 1776 . 1 1 144 144 PRO CA C 13 62.842 0.3 . 1 . . . . . 144 PRO CA . 27876 1 1777 . 1 1 144 144 PRO CB C 13 32.122 0.3 . 1 . . . . . 144 PRO CB . 27876 1 1778 . 1 1 144 144 PRO CG C 13 27.558 0.3 . 1 . . . . . 144 PRO CG . 27876 1 1779 . 1 1 144 144 PRO CD C 13 49.909 0.3 . 1 . . . . . 144 PRO CD . 27876 1 1780 . 1 1 145 145 ARG H H 1 7.662 0.020 . 1 . . . . . 145 ARG H . 27876 1 1781 . 1 1 145 145 ARG HA H 1 4.242 0.020 . 1 . . . . . 145 ARG HA . 27876 1 1782 . 1 1 145 145 ARG HB2 H 1 2.063 0.020 . 2 . . . . . 145 ARG HB2 . 27876 1 1783 . 1 1 145 145 ARG HB3 H 1 1.929 0.020 . 2 . . . . . 145 ARG HB3 . 27876 1 1784 . 1 1 145 145 ARG HG2 H 1 1.710 0.020 . 2 . . . . . 145 ARG HG2 . 27876 1 1785 . 1 1 145 145 ARG HG3 H 1 1.576 0.020 . 2 . . . . . 145 ARG HG3 . 27876 1 1786 . 1 1 145 145 ARG HD2 H 1 3.287 0.020 . 2 . . . . . 145 ARG HD2 . 27876 1 1787 . 1 1 145 145 ARG HD3 H 1 3.238 0.020 . 2 . . . . . 145 ARG HD3 . 27876 1 1788 . 1 1 145 145 ARG C C 13 176.455 0.3 . 1 . . . . . 145 ARG C . 27876 1 1789 . 1 1 145 145 ARG CA C 13 55.886 0.3 . 1 . . . . . 145 ARG CA . 27876 1 1790 . 1 1 145 145 ARG CB C 13 29.407 0.3 . 1 . . . . . 145 ARG CB . 27876 1 1791 . 1 1 145 145 ARG CG C 13 28.049 0.3 . 1 . . . . . 145 ARG CG . 27876 1 1792 . 1 1 145 145 ARG CD C 13 43.650 0.3 . 1 . . . . . 145 ARG CD . 27876 1 1793 . 1 1 145 145 ARG N N 15 114.819 0.3 . 1 . . . . . 145 ARG N . 27876 1 1794 . 1 1 146 146 ASN H H 1 7.330 0.020 . 1 . . . . . 146 ASN H . 27876 1 1795 . 1 1 146 146 ASN HA H 1 4.647 0.020 . 1 . . . . . 146 ASN HA . 27876 1 1796 . 1 1 146 146 ASN HB2 H 1 3.090 0.020 . 2 . . . . . 146 ASN HB2 . 27876 1 1797 . 1 1 146 146 ASN HB3 H 1 2.739 0.020 . 2 . . . . . 146 ASN HB3 . 27876 1 1798 . 1 1 146 146 ASN HD21 H 1 8.267 0.020 . 1 . . . . . 146 ASN HD21 . 27876 1 1799 . 1 1 146 146 ASN HD22 H 1 6.789 0.020 . 1 . . . . . 146 ASN HD22 . 27876 1 1800 . 1 1 146 146 ASN C C 13 174.665 0.3 . 1 . . . . . 146 ASN C . 27876 1 1801 . 1 1 146 146 ASN CA C 13 52.580 0.3 . 1 . . . . . 146 ASN CA . 27876 1 1802 . 1 1 146 146 ASN CB C 13 36.558 0.3 . 1 . . . . . 146 ASN CB . 27876 1 1803 . 1 1 146 146 ASN N N 15 116.930 0.3 . 1 . . . . . 146 ASN N . 27876 1 1804 . 1 1 146 146 ASN ND2 N 15 110.902 0.3 . 1 . . . . . 146 ASN ND2 . 27876 1 1805 . 1 1 147 147 ILE H H 1 7.862 0.020 . 1 . . . . . 147 ILE H . 27876 1 1806 . 1 1 147 147 ILE HA H 1 3.762 0.020 . 1 . . . . . 147 ILE HA . 27876 1 1807 . 1 1 147 147 ILE HB H 1 1.956 0.020 . 1 . . . . . 147 ILE HB . 27876 1 1808 . 1 1 147 147 ILE HG12 H 1 1.395 0.020 . 2 . . . . . 147 ILE HG12 . 27876 1 1809 . 1 1 147 147 ILE HG13 H 1 1.513 0.020 . 2 . . . . . 147 ILE HG13 . 27876 1 1810 . 1 1 147 147 ILE HG21 H 1 0.983 0.020 . 1 . . . . . 147 ILE HG2 . 27876 1 1811 . 1 1 147 147 ILE HG22 H 1 0.983 0.020 . 1 . . . . . 147 ILE HG2 . 27876 1 1812 . 1 1 147 147 ILE HG23 H 1 0.983 0.020 . 1 . . . . . 147 ILE HG2 . 27876 1 1813 . 1 1 147 147 ILE HD11 H 1 0.879 0.020 . 1 . . . . . 147 ILE HD1 . 27876 1 1814 . 1 1 147 147 ILE HD12 H 1 0.879 0.020 . 1 . . . . . 147 ILE HD1 . 27876 1 1815 . 1 1 147 147 ILE HD13 H 1 0.879 0.020 . 1 . . . . . 147 ILE HD1 . 27876 1 1816 . 1 1 147 147 ILE C C 13 176.995 0.3 . 1 . . . . . 147 ILE C . 27876 1 1817 . 1 1 147 147 ILE CA C 13 62.929 0.3 . 1 . . . . . 147 ILE CA . 27876 1 1818 . 1 1 147 147 ILE CB C 13 37.599 0.3 . 1 . . . . . 147 ILE CB . 27876 1 1819 . 1 1 147 147 ILE CG1 C 13 27.669 0.3 . 1 . . . . . 147 ILE CG1 . 27876 1 1820 . 1 1 147 147 ILE CG2 C 13 18.362 0.3 . 1 . . . . . 147 ILE CG2 . 27876 1 1821 . 1 1 147 147 ILE CD1 C 13 12.637 0.3 . 1 . . . . . 147 ILE CD1 . 27876 1 1822 . 1 1 147 147 ILE N N 15 125.227 0.3 . 1 . . . . . 147 ILE N . 27876 1 1823 . 1 1 148 148 LEU H H 1 7.582 0.020 . 1 . . . . . 148 LEU H . 27876 1 1824 . 1 1 148 148 LEU HA H 1 4.072 0.020 . 1 . . . . . 148 LEU HA . 27876 1 1825 . 1 1 148 148 LEU HB2 H 1 1.800 0.020 . 2 . . . . . 148 LEU HB2 . 27876 1 1826 . 1 1 148 148 LEU HB3 H 1 1.701 0.020 . 2 . . . . . 148 LEU HB3 . 27876 1 1827 . 1 1 148 148 LEU HG H 1 1.724 0.020 . 1 . . . . . 148 LEU HG . 27876 1 1828 . 1 1 148 148 LEU HD11 H 1 1.006 0.020 . 2 . . . . . 148 LEU HD1 . 27876 1 1829 . 1 1 148 148 LEU HD12 H 1 1.006 0.020 . 2 . . . . . 148 LEU HD1 . 27876 1 1830 . 1 1 148 148 LEU HD13 H 1 1.006 0.020 . 2 . . . . . 148 LEU HD1 . 27876 1 1831 . 1 1 148 148 LEU HD21 H 1 0.971 0.020 . 2 . . . . . 148 LEU HD2 . 27876 1 1832 . 1 1 148 148 LEU HD22 H 1 0.971 0.020 . 2 . . . . . 148 LEU HD2 . 27876 1 1833 . 1 1 148 148 LEU HD23 H 1 0.971 0.020 . 2 . . . . . 148 LEU HD2 . 27876 1 1834 . 1 1 148 148 LEU C C 13 179.020 0.3 . 1 . . . . . 148 LEU C . 27876 1 1835 . 1 1 148 148 LEU CA C 13 57.828 0.3 . 1 . . . . . 148 LEU CA . 27876 1 1836 . 1 1 148 148 LEU CB C 13 40.862 0.3 . 1 . . . . . 148 LEU CB . 27876 1 1837 . 1 1 148 148 LEU CG C 13 27.360 0.3 . 1 . . . . . 148 LEU CG . 27876 1 1838 . 1 1 148 148 LEU CD1 C 13 24.779 0.3 . 1 . . . . . 148 LEU CD1 . 27876 1 1839 . 1 1 148 148 LEU CD2 C 13 24.052 0.3 . 1 . . . . . 148 LEU CD2 . 27876 1 1840 . 1 1 148 148 LEU N N 15 121.545 0.3 . 1 . . . . . 148 LEU N . 27876 1 1841 . 1 1 149 149 ALA H H 1 6.670 0.020 . 1 . . . . . 149 ALA H . 27876 1 1842 . 1 1 149 149 ALA HA H 1 2.573 0.020 . 1 . . . . . 149 ALA HA . 27876 1 1843 . 1 1 149 149 ALA HB1 H 1 0.774 0.020 . 1 . . . . . 149 ALA HB . 27876 1 1844 . 1 1 149 149 ALA HB2 H 1 0.774 0.020 . 1 . . . . . 149 ALA HB . 27876 1 1845 . 1 1 149 149 ALA HB3 H 1 0.774 0.020 . 1 . . . . . 149 ALA HB . 27876 1 1846 . 1 1 149 149 ALA C C 13 178.936 0.3 . 1 . . . . . 149 ALA C . 27876 1 1847 . 1 1 149 149 ALA CA C 13 53.908 0.3 . 1 . . . . . 149 ALA CA . 27876 1 1848 . 1 1 149 149 ALA CB C 13 18.748 0.3 . 1 . . . . . 149 ALA CB . 27876 1 1849 . 1 1 149 149 ALA N N 15 119.181 0.3 . 1 . . . . . 149 ALA N . 27876 1 1850 . 1 1 150 150 LEU H H 1 6.884 0.020 . 1 . . . . . 150 LEU H . 27876 1 1851 . 1 1 150 150 LEU HA H 1 3.652 0.020 . 1 . . . . . 150 LEU HA . 27876 1 1852 . 1 1 150 150 LEU HB2 H 1 1.775 0.020 . 1 . . . . . 150 LEU HB2 . 27876 1 1853 . 1 1 150 150 LEU HB3 H 1 1.775 0.020 . 1 . . . . . 150 LEU HB3 . 27876 1 1854 . 1 1 150 150 LEU HG H 1 1.500 0.020 . 1 . . . . . 150 LEU HG . 27876 1 1855 . 1 1 150 150 LEU HD11 H 1 0.816 0.020 . 2 . . . . . 150 LEU HD1 . 27876 1 1856 . 1 1 150 150 LEU HD12 H 1 0.816 0.020 . 2 . . . . . 150 LEU HD1 . 27876 1 1857 . 1 1 150 150 LEU HD13 H 1 0.816 0.020 . 2 . . . . . 150 LEU HD1 . 27876 1 1858 . 1 1 150 150 LEU HD21 H 1 0.774 0.020 . 2 . . . . . 150 LEU HD2 . 27876 1 1859 . 1 1 150 150 LEU HD22 H 1 0.774 0.020 . 2 . . . . . 150 LEU HD2 . 27876 1 1860 . 1 1 150 150 LEU HD23 H 1 0.774 0.020 . 2 . . . . . 150 LEU HD2 . 27876 1 1861 . 1 1 150 150 LEU C C 13 178.895 0.3 . 1 . . . . . 150 LEU C . 27876 1 1862 . 1 1 150 150 LEU CA C 13 58.244 0.3 . 1 . . . . . 150 LEU CA . 27876 1 1863 . 1 1 150 150 LEU CB C 13 41.764 0.3 . 1 . . . . . 150 LEU CB . 27876 1 1864 . 1 1 150 150 LEU CG C 13 27.227 0.3 . 1 . . . . . 150 LEU CG . 27876 1 1865 . 1 1 150 150 LEU CD1 C 13 24.869 0.3 . 1 . . . . . 150 LEU CD1 . 27876 1 1866 . 1 1 150 150 LEU CD2 C 13 24.118 0.3 . 1 . . . . . 150 LEU CD2 . 27876 1 1867 . 1 1 150 150 LEU N N 15 115.425 0.3 . 1 . . . . . 150 LEU N . 27876 1 1868 . 1 1 151 151 ASP H H 1 8.325 0.020 . 1 . . . . . 151 ASP H . 27876 1 1869 . 1 1 151 151 ASP HA H 1 4.420 0.020 . 1 . . . . . 151 ASP HA . 27876 1 1870 . 1 1 151 151 ASP HB2 H 1 2.780 0.020 . 2 . . . . . 151 ASP HB2 . 27876 1 1871 . 1 1 151 151 ASP HB3 H 1 2.625 0.020 . 2 . . . . . 151 ASP HB3 . 27876 1 1872 . 1 1 151 151 ASP C C 13 179.140 0.3 . 1 . . . . . 151 ASP C . 27876 1 1873 . 1 1 151 151 ASP CA C 13 57.626 0.3 . 1 . . . . . 151 ASP CA . 27876 1 1874 . 1 1 151 151 ASP CB C 13 40.001 0.3 . 1 . . . . . 151 ASP CB . 27876 1 1875 . 1 1 151 151 ASP N N 15 119.716 0.3 . 1 . . . . . 151 ASP N . 27876 1 1876 . 1 1 152 152 ASP H H 1 7.946 0.020 . 1 . . . . . 152 ASP H . 27876 1 1877 . 1 1 152 152 ASP HA H 1 4.736 0.020 . 1 . . . . . 152 ASP HA . 27876 1 1878 . 1 1 152 152 ASP HB2 H 1 2.843 0.020 . 2 . . . . . 152 ASP HB2 . 27876 1 1879 . 1 1 152 152 ASP HB3 H 1 2.639 0.020 . 2 . . . . . 152 ASP HB3 . 27876 1 1880 . 1 1 152 152 ASP C C 13 180.088 0.3 . 1 . . . . . 152 ASP C . 27876 1 1881 . 1 1 152 152 ASP CA C 13 57.202 0.3 . 1 . . . . . 152 ASP CA . 27876 1 1882 . 1 1 152 152 ASP CB C 13 40.175 0.3 . 1 . . . . . 152 ASP CB . 27876 1 1883 . 1 1 152 152 ASP N N 15 121.180 0.3 . 1 . . . . . 152 ASP N . 27876 1 1884 . 1 1 153 153 VAL H H 1 8.456 0.020 . 1 . . . . . 153 VAL H . 27876 1 1885 . 1 1 153 153 VAL HA H 1 3.567 0.020 . 1 . . . . . 153 VAL HA . 27876 1 1886 . 1 1 153 153 VAL HB H 1 2.259 0.020 . 1 . . . . . 153 VAL HB . 27876 1 1887 . 1 1 153 153 VAL HG11 H 1 0.893 0.020 . 2 . . . . . 153 VAL HG1 . 27876 1 1888 . 1 1 153 153 VAL HG12 H 1 0.893 0.020 . 2 . . . . . 153 VAL HG1 . 27876 1 1889 . 1 1 153 153 VAL HG13 H 1 0.893 0.020 . 2 . . . . . 153 VAL HG1 . 27876 1 1890 . 1 1 153 153 VAL HG21 H 1 0.999 0.020 . 2 . . . . . 153 VAL HG2 . 27876 1 1891 . 1 1 153 153 VAL HG22 H 1 0.999 0.020 . 2 . . . . . 153 VAL HG2 . 27876 1 1892 . 1 1 153 153 VAL HG23 H 1 0.999 0.020 . 2 . . . . . 153 VAL HG2 . 27876 1 1893 . 1 1 153 153 VAL C C 13 177.106 0.3 . 1 . . . . . 153 VAL C . 27876 1 1894 . 1 1 153 153 VAL CA C 13 67.201 0.3 . 1 . . . . . 153 VAL CA . 27876 1 1895 . 1 1 153 153 VAL CB C 13 31.129 0.3 . 1 . . . . . 153 VAL CB . 27876 1 1896 . 1 1 153 153 VAL CG1 C 13 21.802 0.3 . 1 . . . . . 153 VAL CG1 . 27876 1 1897 . 1 1 153 153 VAL CG2 C 13 23.522 0.3 . 1 . . . . . 153 VAL CG2 . 27876 1 1898 . 1 1 153 153 VAL N N 15 122.307 0.3 . 1 . . . . . 153 VAL N . 27876 1 1899 . 1 1 154 154 ARG H H 1 8.325 0.020 . 1 . . . . . 154 ARG H . 27876 1 1900 . 1 1 154 154 ARG HA H 1 3.885 0.020 . 1 . . . . . 154 ARG HA . 27876 1 1901 . 1 1 154 154 ARG HB2 H 1 2.036 0.020 . 2 . . . . . 154 ARG HB2 . 27876 1 1902 . 1 1 154 154 ARG HB3 H 1 1.928 0.020 . 2 . . . . . 154 ARG HB3 . 27876 1 1903 . 1 1 154 154 ARG HG2 H 1 1.668 0.020 . 1 . . . . . 154 ARG HG2 . 27876 1 1904 . 1 1 154 154 ARG HG3 H 1 1.668 0.020 . 1 . . . . . 154 ARG HG3 . 27876 1 1905 . 1 1 154 154 ARG HD2 H 1 3.308 0.020 . 1 . . . . . 154 ARG HD2 . 27876 1 1906 . 1 1 154 154 ARG HD3 H 1 3.308 0.020 . 1 . . . . . 154 ARG HD3 . 27876 1 1907 . 1 1 154 154 ARG C C 13 179.603 0.3 . 1 . . . . . 154 ARG C . 27876 1 1908 . 1 1 154 154 ARG CA C 13 60.768 0.3 . 1 . . . . . 154 ARG CA . 27876 1 1909 . 1 1 154 154 ARG CB C 13 30.185 0.3 . 1 . . . . . 154 ARG CB . 27876 1 1910 . 1 1 154 154 ARG CG C 13 28.881 0.3 . 1 . . . . . 154 ARG CG . 27876 1 1911 . 1 1 154 154 ARG CD C 13 43.503 0.3 . 1 . . . . . 154 ARG CD . 27876 1 1912 . 1 1 154 154 ARG N N 15 118.877 0.3 . 1 . . . . . 154 ARG N . 27876 1 1913 . 1 1 155 155 LEU H H 1 8.083 0.020 . 1 . . . . . 155 LEU H . 27876 1 1914 . 1 1 155 155 LEU HA H 1 4.121 0.020 . 1 . . . . . 155 LEU HA . 27876 1 1915 . 1 1 155 155 LEU HB2 H 1 1.850 0.020 . 2 . . . . . 155 LEU HB2 . 27876 1 1916 . 1 1 155 155 LEU HB3 H 1 1.752 0.020 . 2 . . . . . 155 LEU HB3 . 27876 1 1917 . 1 1 155 155 LEU HG H 1 1.701 0.020 . 1 . . . . . 155 LEU HG . 27876 1 1918 . 1 1 155 155 LEU HD11 H 1 0.957 0.020 . 2 . . . . . 155 LEU HD1 . 27876 1 1919 . 1 1 155 155 LEU HD12 H 1 0.957 0.020 . 2 . . . . . 155 LEU HD1 . 27876 1 1920 . 1 1 155 155 LEU HD13 H 1 0.957 0.020 . 2 . . . . . 155 LEU HD1 . 27876 1 1921 . 1 1 155 155 LEU HD21 H 1 0.926 0.020 . 2 . . . . . 155 LEU HD2 . 27876 1 1922 . 1 1 155 155 LEU HD22 H 1 0.926 0.020 . 2 . . . . . 155 LEU HD2 . 27876 1 1923 . 1 1 155 155 LEU HD23 H 1 0.926 0.020 . 2 . . . . . 155 LEU HD2 . 27876 1 1924 . 1 1 155 155 LEU C C 13 178.576 0.3 . 1 . . . . . 155 LEU C . 27876 1 1925 . 1 1 155 155 LEU CA C 13 58.011 0.3 . 1 . . . . . 155 LEU CA . 27876 1 1926 . 1 1 155 155 LEU CB C 13 41.855 0.3 . 1 . . . . . 155 LEU CB . 27876 1 1927 . 1 1 155 155 LEU CG C 13 26.909 0.3 . 1 . . . . . 155 LEU CG . 27876 1 1928 . 1 1 155 155 LEU CD1 C 13 24.276 0.3 . 1 . . . . . 155 LEU CD1 . 27876 1 1929 . 1 1 155 155 LEU CD2 C 13 24.159 0.3 . 1 . . . . . 155 LEU CD2 . 27876 1 1930 . 1 1 155 155 LEU N N 15 119.944 0.3 . 1 . . . . . 155 LEU N . 27876 1 1931 . 1 1 156 156 ALA H H 1 8.059 0.020 . 1 . . . . . 156 ALA H . 27876 1 1932 . 1 1 156 156 ALA HA H 1 4.059 0.020 . 1 . . . . . 156 ALA HA . 27876 1 1933 . 1 1 156 156 ALA HB1 H 1 1.492 0.020 . 1 . . . . . 156 ALA HB . 27876 1 1934 . 1 1 156 156 ALA HB2 H 1 1.492 0.020 . 1 . . . . . 156 ALA HB . 27876 1 1935 . 1 1 156 156 ALA HB3 H 1 1.492 0.020 . 1 . . . . . 156 ALA HB . 27876 1 1936 . 1 1 156 156 ALA C C 13 181.216 0.3 . 1 . . . . . 156 ALA C . 27876 1 1937 . 1 1 156 156 ALA CA C 13 55.171 0.3 . 1 . . . . . 156 ALA CA . 27876 1 1938 . 1 1 156 156 ALA CB C 13 17.888 0.3 . 1 . . . . . 156 ALA CB . 27876 1 1939 . 1 1 156 156 ALA N N 15 122.476 0.3 . 1 . . . . . 156 ALA N . 27876 1 1940 . 1 1 157 157 LEU H H 1 8.062 0.020 . 1 . . . . . 157 LEU H . 27876 1 1941 . 1 1 157 157 LEU HA H 1 4.020 0.020 . 1 . . . . . 157 LEU HA . 27876 1 1942 . 1 1 157 157 LEU HB2 H 1 1.559 0.020 . 1 . . . . . 157 LEU HB2 . 27876 1 1943 . 1 1 157 157 LEU HB3 H 1 1.559 0.020 . 1 . . . . . 157 LEU HB3 . 27876 1 1944 . 1 1 157 157 LEU HG H 1 1.929 0.020 . 1 . . . . . 157 LEU HG . 27876 1 1945 . 1 1 157 157 LEU HD11 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD1 . 27876 1 1946 . 1 1 157 157 LEU HD12 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD1 . 27876 1 1947 . 1 1 157 157 LEU HD13 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD1 . 27876 1 1948 . 1 1 157 157 LEU HD21 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD2 . 27876 1 1949 . 1 1 157 157 LEU HD22 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD2 . 27876 1 1950 . 1 1 157 157 LEU HD23 H 1 0.824 0.020 . 1 . . . . . 157 LEU HD2 . 27876 1 1951 . 1 1 157 157 LEU C C 13 179.270 0.3 . 1 . . . . . 157 LEU C . 27876 1 1952 . 1 1 157 157 LEU CA C 13 58.094 0.3 . 1 . . . . . 157 LEU CA . 27876 1 1953 . 1 1 157 157 LEU CB C 13 41.195 0.3 . 1 . . . . . 157 LEU CB . 27876 1 1954 . 1 1 157 157 LEU CG C 13 26.948 0.3 . 1 . . . . . 157 LEU CG . 27876 1 1955 . 1 1 157 157 LEU CD1 C 13 26.014 0.3 . 1 . . . . . 157 LEU CD1 . 27876 1 1956 . 1 1 157 157 LEU CD2 C 13 23.279 0.3 . 1 . . . . . 157 LEU CD2 . 27876 1 1957 . 1 1 157 157 LEU N N 15 117.681 0.3 . 1 . . . . . 157 LEU N . 27876 1 1958 . 1 1 158 158 LYS H H 1 8.170 0.020 . 1 . . . . . 158 LYS H . 27876 1 1959 . 1 1 158 158 LYS HA H 1 4.078 0.020 . 1 . . . . . 158 LYS HA . 27876 1 1960 . 1 1 158 158 LYS HB2 H 1 2.005 0.020 . 1 . . . . . 158 LYS HB2 . 27876 1 1961 . 1 1 158 158 LYS HB3 H 1 2.005 0.020 . 1 . . . . . 158 LYS HB3 . 27876 1 1962 . 1 1 158 158 LYS HG2 H 1 1.477 0.020 . 2 . . . . . 158 LYS HG2 . 27876 1 1963 . 1 1 158 158 LYS HG3 H 1 1.587 0.020 . 2 . . . . . 158 LYS HG3 . 27876 1 1964 . 1 1 158 158 LYS HD2 H 1 1.680 0.020 . 2 . . . . . 158 LYS HD2 . 27876 1 1965 . 1 1 158 158 LYS HD3 H 1 1.584 0.020 . 2 . . . . . 158 LYS HD3 . 27876 1 1966 . 1 1 158 158 LYS HE2 H 1 2.984 0.020 . 1 . . . . . 158 LYS HE2 . 27876 1 1967 . 1 1 158 158 LYS HE3 H 1 2.984 0.020 . 1 . . . . . 158 LYS HE3 . 27876 1 1968 . 1 1 158 158 LYS C C 13 181.420 0.3 . 1 . . . . . 158 LYS C . 27876 1 1969 . 1 1 158 158 LYS CA C 13 59.557 0.3 . 1 . . . . . 158 LYS CA . 27876 1 1970 . 1 1 158 158 LYS CB C 13 32.188 0.3 . 1 . . . . . 158 LYS CB . 27876 1 1971 . 1 1 158 158 LYS CG C 13 24.896 0.3 . 1 . . . . . 158 LYS CG . 27876 1 1972 . 1 1 158 158 LYS CD C 13 29.543 0.3 . 1 . . . . . 158 LYS CD . 27876 1 1973 . 1 1 158 158 LYS CE C 13 42.024 0.3 . 1 . . . . . 158 LYS CE . 27876 1 1974 . 1 1 158 158 LYS N N 15 121.029 0.3 . 1 . . . . . 158 LYS N . 27876 1 1975 . 1 1 159 159 ARG H H 1 8.414 0.020 . 1 . . . . . 159 ARG H . 27876 1 1976 . 1 1 159 159 ARG HA H 1 4.110 0.020 . 1 . . . . . 159 ARG HA . 27876 1 1977 . 1 1 159 159 ARG HB2 H 1 1.960 0.020 . 1 . . . . . 159 ARG HB2 . 27876 1 1978 . 1 1 159 159 ARG HB3 H 1 1.960 0.020 . 1 . . . . . 159 ARG HB3 . 27876 1 1979 . 1 1 159 159 ARG HG2 H 1 1.891 0.020 . 2 . . . . . 159 ARG HG2 . 27876 1 1980 . 1 1 159 159 ARG HG3 H 1 1.730 0.020 . 2 . . . . . 159 ARG HG3 . 27876 1 1981 . 1 1 159 159 ARG HD2 H 1 3.234 0.020 . 2 . . . . . 159 ARG HD2 . 27876 1 1982 . 1 1 159 159 ARG HD3 H 1 3.202 0.020 . 2 . . . . . 159 ARG HD3 . 27876 1 1983 . 1 1 159 159 ARG C C 13 177.925 0.3 . 1 . . . . . 159 ARG C . 27876 1 1984 . 1 1 159 159 ARG CA C 13 59.177 0.3 . 1 . . . . . 159 ARG CA . 27876 1 1985 . 1 1 159 159 ARG CB C 13 30.004 0.3 . 1 . . . . . 159 ARG CB . 27876 1 1986 . 1 1 159 159 ARG CG C 13 28.113 0.3 . 1 . . . . . 159 ARG CG . 27876 1 1987 . 1 1 159 159 ARG CD C 13 43.638 0.3 . 1 . . . . . 159 ARG CD . 27876 1 1988 . 1 1 159 159 ARG N N 15 120.290 0.3 . 1 . . . . . 159 ARG N . 27876 1 1989 . 1 1 160 160 LYS H H 1 7.295 0.020 . 1 . . . . . 160 LYS H . 27876 1 1990 . 1 1 160 160 LYS HA H 1 4.391 0.020 . 1 . . . . . 160 LYS HA . 27876 1 1991 . 1 1 160 160 LYS HB2 H 1 2.058 0.020 . 2 . . . . . 160 LYS HB2 . 27876 1 1992 . 1 1 160 160 LYS HB3 H 1 1.851 0.020 . 2 . . . . . 160 LYS HB3 . 27876 1 1993 . 1 1 160 160 LYS HG2 H 1 1.684 0.020 . 1 . . . . . 160 LYS HG2 . 27876 1 1994 . 1 1 160 160 LYS HG3 H 1 1.684 0.020 . 1 . . . . . 160 LYS HG3 . 27876 1 1995 . 1 1 160 160 LYS HD2 H 1 1.719 0.020 . 1 . . . . . 160 LYS HD2 . 27876 1 1996 . 1 1 160 160 LYS HD3 H 1 1.719 0.020 . 1 . . . . . 160 LYS HD3 . 27876 1 1997 . 1 1 160 160 LYS HE2 H 1 3.021 0.020 . 1 . . . . . 160 LYS HE2 . 27876 1 1998 . 1 1 160 160 LYS HE3 H 1 3.021 0.020 . 1 . . . . . 160 LYS HE3 . 27876 1 1999 . 1 1 160 160 LYS C C 13 176.191 0.3 . 1 . . . . . 160 LYS C . 27876 1 2000 . 1 1 160 160 LYS CA C 13 55.996 0.3 . 1 . . . . . 160 LYS CA . 27876 1 2001 . 1 1 160 160 LYS CB C 13 33.314 0.3 . 1 . . . . . 160 LYS CB . 27876 1 2002 . 1 1 160 160 LYS CG C 13 24.827 0.3 . 1 . . . . . 160 LYS CG . 27876 1 2003 . 1 1 160 160 LYS CD C 13 29.386 0.3 . 1 . . . . . 160 LYS CD . 27876 1 2004 . 1 1 160 160 LYS CE C 13 42.170 0.3 . 1 . . . . . 160 LYS CE . 27876 1 2005 . 1 1 160 160 LYS N N 15 116.808 0.3 . 1 . . . . . 160 LYS N . 27876 1 2006 . 1 1 161 161 GLY H H 1 7.986 0.020 . 1 . . . . . 161 GLY H . 27876 1 2007 . 1 1 161 161 GLY HA2 H 1 3.748 0.020 . 2 . . . . . 161 GLY HA2 . 27876 1 2008 . 1 1 161 161 GLY HA3 H 1 4.019 0.020 . 2 . . . . . 161 GLY HA3 . 27876 1 2009 . 1 1 161 161 GLY C C 13 173.986 0.3 . 1 . . . . . 161 GLY C . 27876 1 2010 . 1 1 161 161 GLY CA C 13 45.734 0.3 . 1 . . . . . 161 GLY CA . 27876 1 2011 . 1 1 161 161 GLY N N 15 108.169 0.3 . 1 . . . . . 161 GLY N . 27876 1 2012 . 1 1 162 162 LEU H H 1 7.704 0.020 . 1 . . . . . 162 LEU H . 27876 1 2013 . 1 1 162 162 LEU HA H 1 4.250 0.020 . 1 . . . . . 162 LEU HA . 27876 1 2014 . 1 1 162 162 LEU HB2 H 1 1.555 0.020 . 2 . . . . . 162 LEU HB2 . 27876 1 2015 . 1 1 162 162 LEU HB3 H 1 0.598 0.020 . 2 . . . . . 162 LEU HB3 . 27876 1 2016 . 1 1 162 162 LEU HG H 1 1.414 0.020 . 1 . . . . . 162 LEU HG . 27876 1 2017 . 1 1 162 162 LEU HD11 H 1 0.713 0.020 . 2 . . . . . 162 LEU HD1 . 27876 1 2018 . 1 1 162 162 LEU HD12 H 1 0.713 0.020 . 2 . . . . . 162 LEU HD1 . 27876 1 2019 . 1 1 162 162 LEU HD13 H 1 0.713 0.020 . 2 . . . . . 162 LEU HD1 . 27876 1 2020 . 1 1 162 162 LEU HD21 H 1 0.918 0.020 . 2 . . . . . 162 LEU HD2 . 27876 1 2021 . 1 1 162 162 LEU HD22 H 1 0.918 0.020 . 2 . . . . . 162 LEU HD2 . 27876 1 2022 . 1 1 162 162 LEU HD23 H 1 0.918 0.020 . 2 . . . . . 162 LEU HD2 . 27876 1 2023 . 1 1 162 162 LEU C C 13 176.177 0.3 . 1 . . . . . 162 LEU C . 27876 1 2024 . 1 1 162 162 LEU CA C 13 53.235 0.3 . 1 . . . . . 162 LEU CA . 27876 1 2025 . 1 1 162 162 LEU CB C 13 42.384 0.3 . 1 . . . . . 162 LEU CB . 27876 1 2026 . 1 1 162 162 LEU CG C 13 26.014 0.3 . 1 . . . . . 162 LEU CG . 27876 1 2027 . 1 1 162 162 LEU CD1 C 13 21.878 0.3 . 1 . . . . . 162 LEU CD1 . 27876 1 2028 . 1 1 162 162 LEU CD2 C 13 25.887 0.3 . 1 . . . . . 162 LEU CD2 . 27876 1 2029 . 1 1 162 162 LEU N N 15 119.829 0.3 . 1 . . . . . 162 LEU N . 27876 1 2030 . 1 1 163 163 ASN H H 1 8.169 0.020 . 1 . . . . . 163 ASN H . 27876 1 2031 . 1 1 163 163 ASN HA H 1 4.751 0.020 . 1 . . . . . 163 ASN HA . 27876 1 2032 . 1 1 163 163 ASN HB2 H 1 2.779 0.020 . 2 . . . . . 163 ASN HB2 . 27876 1 2033 . 1 1 163 163 ASN HB3 H 1 2.549 0.020 . 2 . . . . . 163 ASN HB3 . 27876 1 2034 . 1 1 163 163 ASN C C 13 174.527 0.3 . 1 . . . . . 163 ASN C . 27876 1 2035 . 1 1 163 163 ASN CA C 13 52.324 0.3 . 1 . . . . . 163 ASN CA . 27876 1 2036 . 1 1 163 163 ASN CB C 13 38.412 0.3 . 1 . . . . . 163 ASN CB . 27876 1 2037 . 1 1 163 163 ASN N N 15 120.882 0.3 . 1 . . . . . 163 ASN N . 27876 1 2038 . 1 1 164 164 TYR H H 1 6.624 0.020 . 1 . . . . . 164 TYR H . 27876 1 2039 . 1 1 164 164 TYR HA H 1 4.956 0.020 . 1 . . . . . 164 TYR HA . 27876 1 2040 . 1 1 164 164 TYR HB2 H 1 3.076 0.020 . 2 . . . . . 164 TYR HB2 . 27876 1 2041 . 1 1 164 164 TYR HB3 H 1 2.320 0.020 . 2 . . . . . 164 TYR HB3 . 27876 1 2042 . 1 1 164 164 TYR HD2 H 1 6.863 0.020 . 1 . . . . . 164 TYR HD2 . 27876 1 2043 . 1 1 164 164 TYR HE2 H 1 6.771 0.020 . 1 . . . . . 164 TYR HE2 . 27876 1 2044 . 1 1 164 164 TYR C C 13 176.066 0.3 . 1 . . . . . 164 TYR C . 27876 1 2045 . 1 1 164 164 TYR CA C 13 55.246 0.3 . 1 . . . . . 164 TYR CA . 27876 1 2046 . 1 1 164 164 TYR CB C 13 39.537 0.3 . 1 . . . . . 164 TYR CB . 27876 1 2047 . 1 1 164 164 TYR CD2 C 13 131.390 0.3 . 1 . . . . . 164 TYR CD2 . 27876 1 2048 . 1 1 164 164 TYR CE2 C 13 119.043 0.3 . 1 . . . . . 164 TYR CE2 . 27876 1 2049 . 1 1 164 164 TYR N N 15 118.027 0.3 . 1 . . . . . 164 TYR N . 27876 1 2050 . 1 1 165 165 GLU H H 1 8.491 0.020 . 1 . . . . . 165 GLU H . 27876 1 2051 . 1 1 165 165 GLU HA H 1 4.472 0.020 . 1 . . . . . 165 GLU HA . 27876 1 2052 . 1 1 165 165 GLU HB2 H 1 2.001 0.020 . 2 . . . . . 165 GLU HB2 . 27876 1 2053 . 1 1 165 165 GLU HB3 H 1 1.893 0.020 . 2 . . . . . 165 GLU HB3 . 27876 1 2054 . 1 1 165 165 GLU HG2 H 1 2.328 0.020 . 2 . . . . . 165 GLU HG2 . 27876 1 2055 . 1 1 165 165 GLU HG3 H 1 2.207 0.020 . 2 . . . . . 165 GLU HG3 . 27876 1 2056 . 1 1 165 165 GLU C C 13 175.456 0.3 . 1 . . . . . 165 GLU C . 27876 1 2057 . 1 1 165 165 GLU CA C 13 55.196 0.3 . 1 . . . . . 165 GLU CA . 27876 1 2058 . 1 1 165 165 GLU CB C 13 31.394 0.3 . 1 . . . . . 165 GLU CB . 27876 1 2059 . 1 1 165 165 GLU CG C 13 36.225 0.3 . 1 . . . . . 165 GLU CG . 27876 1 2060 . 1 1 165 165 GLU N N 15 121.407 0.3 . 1 . . . . . 165 GLU N . 27876 1 2061 . 1 1 166 166 VAL H H 1 8.634 0.020 . 1 . . . . . 166 VAL H . 27876 1 2062 . 1 1 166 166 VAL HA H 1 4.446 0.020 . 1 . . . . . 166 VAL HA . 27876 1 2063 . 1 1 166 166 VAL HB H 1 1.900 0.020 . 1 . . . . . 166 VAL HB . 27876 1 2064 . 1 1 166 166 VAL HG11 H 1 0.759 0.020 . 2 . . . . . 166 VAL HG1 . 27876 1 2065 . 1 1 166 166 VAL HG12 H 1 0.759 0.020 . 2 . . . . . 166 VAL HG1 . 27876 1 2066 . 1 1 166 166 VAL HG13 H 1 0.759 0.020 . 2 . . . . . 166 VAL HG1 . 27876 1 2067 . 1 1 166 166 VAL HG21 H 1 0.872 0.020 . 2 . . . . . 166 VAL HG2 . 27876 1 2068 . 1 1 166 166 VAL HG22 H 1 0.872 0.020 . 2 . . . . . 166 VAL HG2 . 27876 1 2069 . 1 1 166 166 VAL HG23 H 1 0.872 0.020 . 2 . . . . . 166 VAL HG2 . 27876 1 2070 . 1 1 166 166 VAL C C 13 174.471 0.3 . 1 . . . . . 166 VAL C . 27876 1 2071 . 1 1 166 166 VAL CA C 13 62.540 0.3 . 1 . . . . . 166 VAL CA . 27876 1 2072 . 1 1 166 166 VAL CB C 13 32.453 0.3 . 1 . . . . . 166 VAL CB . 27876 1 2073 . 1 1 166 166 VAL CG1 C 13 22.530 0.3 . 1 . . . . . 166 VAL CG1 . 27876 1 2074 . 1 1 166 166 VAL CG2 C 13 23.125 0.3 . 1 . . . . . 166 VAL CG2 . 27876 1 2075 . 1 1 166 166 VAL N N 15 123.755 0.3 . 1 . . . . . 166 VAL N . 27876 1 2076 . 1 1 167 167 ALA H H 1 9.158 0.020 . 1 . . . . . 167 ALA H . 27876 1 2077 . 1 1 167 167 ALA HA H 1 5.016 0.020 . 1 . . . . . 167 ALA HA . 27876 1 2078 . 1 1 167 167 ALA HB1 H 1 1.230 0.020 . 1 . . . . . 167 ALA HB . 27876 1 2079 . 1 1 167 167 ALA HB2 H 1 1.230 0.020 . 1 . . . . . 167 ALA HB . 27876 1 2080 . 1 1 167 167 ALA HB3 H 1 1.230 0.020 . 1 . . . . . 167 ALA HB . 27876 1 2081 . 1 1 167 167 ALA C C 13 173.653 0.3 . 1 . . . . . 167 ALA C . 27876 1 2082 . 1 1 167 167 ALA CA C 13 48.133 0.3 . 1 . . . . . 167 ALA CA . 27876 1 2083 . 1 1 167 167 ALA CB C 13 20.337 0.3 . 1 . . . . . 167 ALA CB . 27876 1 2084 . 1 1 167 167 ALA N N 15 133.913 0.3 . 1 . . . . . 167 ALA N . 27876 1 2085 . 1 1 168 168 PRO HA H 1 4.554 0.020 . 1 . . . . . 168 PRO HA . 27876 1 2086 . 1 1 168 168 PRO HB2 H 1 2.087 0.020 . 2 . . . . . 168 PRO HB2 . 27876 1 2087 . 1 1 168 168 PRO HB3 H 1 0.889 0.020 . 2 . . . . . 168 PRO HB3 . 27876 1 2088 . 1 1 168 168 PRO HG2 H 1 1.640 0.020 . 2 . . . . . 168 PRO HG2 . 27876 1 2089 . 1 1 168 168 PRO HG3 H 1 1.583 0.020 . 2 . . . . . 168 PRO HG3 . 27876 1 2090 . 1 1 168 168 PRO HD2 H 1 3.864 0.020 . 2 . . . . . 168 PRO HD2 . 27876 1 2091 . 1 1 168 168 PRO HD3 H 1 3.532 0.020 . 2 . . . . . 168 PRO HD3 . 27876 1 2092 . 1 1 168 168 PRO C C 13 174.693 0.3 . 1 . . . . . 168 PRO C . 27876 1 2093 . 1 1 168 168 PRO CA C 13 62.915 0.3 . 1 . . . . . 168 PRO CA . 27876 1 2094 . 1 1 168 168 PRO CB C 13 33.181 0.3 . 1 . . . . . 168 PRO CB . 27876 1 2095 . 1 1 168 168 PRO CG C 13 27.757 0.3 . 1 . . . . . 168 PRO CG . 27876 1 2096 . 1 1 168 168 PRO CD C 13 51.068 0.3 . 1 . . . . . 168 PRO CD . 27876 1 2097 . 1 1 169 169 ALA H H 1 8.468 0.020 . 1 . . . . . 169 ALA H . 27876 1 2098 . 1 1 169 169 ALA HA H 1 4.568 0.020 . 1 . . . . . 169 ALA HA . 27876 1 2099 . 1 1 169 169 ALA HB1 H 1 0.985 0.020 . 1 . . . . . 169 ALA HB . 27876 1 2100 . 1 1 169 169 ALA HB2 H 1 0.985 0.020 . 1 . . . . . 169 ALA HB . 27876 1 2101 . 1 1 169 169 ALA HB3 H 1 0.985 0.020 . 1 . . . . . 169 ALA HB . 27876 1 2102 . 1 1 169 169 ALA C C 13 174.873 0.3 . 1 . . . . . 169 ALA C . 27876 1 2103 . 1 1 169 169 ALA CA C 13 50.446 0.3 . 1 . . . . . 169 ALA CA . 27876 1 2104 . 1 1 169 169 ALA CB C 13 22.822 0.3 . 1 . . . . . 169 ALA CB . 27876 1 2105 . 1 1 169 169 ALA N N 15 122.898 0.3 . 1 . . . . . 169 ALA N . 27876 1 2106 . 1 1 170 170 VAL H H 1 8.954 0.020 . 1 . . . . . 170 VAL H . 27876 1 2107 . 1 1 170 170 VAL HA H 1 4.727 0.020 . 1 . . . . . 170 VAL HA . 27876 1 2108 . 1 1 170 170 VAL HB H 1 2.031 0.020 . 1 . . . . . 170 VAL HB . 27876 1 2109 . 1 1 170 170 VAL HG11 H 1 0.918 0.020 . 2 . . . . . 170 VAL HG1 . 27876 1 2110 . 1 1 170 170 VAL HG12 H 1 0.918 0.020 . 2 . . . . . 170 VAL HG1 . 27876 1 2111 . 1 1 170 170 VAL HG13 H 1 0.918 0.020 . 2 . . . . . 170 VAL HG1 . 27876 1 2112 . 1 1 170 170 VAL HG21 H 1 1.197 0.020 . 2 . . . . . 170 VAL HG2 . 27876 1 2113 . 1 1 170 170 VAL HG22 H 1 1.197 0.020 . 2 . . . . . 170 VAL HG2 . 27876 1 2114 . 1 1 170 170 VAL HG23 H 1 1.197 0.020 . 2 . . . . . 170 VAL HG2 . 27876 1 2115 . 1 1 170 170 VAL C C 13 173.598 0.3 . 1 . . . . . 170 VAL C . 27876 1 2116 . 1 1 170 170 VAL CA C 13 62.178 0.3 . 1 . . . . . 170 VAL CA . 27876 1 2117 . 1 1 170 170 VAL CB C 13 33.844 0.3 . 1 . . . . . 170 VAL CB . 27876 1 2118 . 1 1 170 170 VAL CG1 C 13 22.790 0.3 . 1 . . . . . 170 VAL CG1 . 27876 1 2119 . 1 1 170 170 VAL CG2 C 13 22.293 0.3 . 1 . . . . . 170 VAL CG2 . 27876 1 2120 . 1 1 170 170 VAL N N 15 120.241 0.3 . 1 . . . . . 170 VAL N . 27876 1 2121 . 1 1 171 171 ALA H H 1 7.603 0.020 . 1 . . . . . 171 ALA H . 27876 1 2122 . 1 1 171 171 ALA HA H 1 4.783 0.020 . 1 . . . . . 171 ALA HA . 27876 1 2123 . 1 1 171 171 ALA HB1 H 1 1.268 0.020 . 1 . . . . . 171 ALA HB . 27876 1 2124 . 1 1 171 171 ALA HB2 H 1 1.268 0.020 . 1 . . . . . 171 ALA HB . 27876 1 2125 . 1 1 171 171 ALA HB3 H 1 1.268 0.020 . 1 . . . . . 171 ALA HB . 27876 1 2126 . 1 1 171 171 ALA C C 13 176.524 0.3 . 1 . . . . . 171 ALA C . 27876 1 2127 . 1 1 171 171 ALA CA C 13 49.882 0.3 . 1 . . . . . 171 ALA CA . 27876 1 2128 . 1 1 171 171 ALA CB C 13 23.449 0.3 . 1 . . . . . 171 ALA CB . 27876 1 2129 . 1 1 171 171 ALA N N 15 124.965 0.3 . 1 . . . . . 171 ALA N . 27876 1 2130 . 1 1 172 172 THR H H 1 8.742 0.020 . 1 . . . . . 172 THR H . 27876 1 2131 . 1 1 172 172 THR HA H 1 4.298 0.020 . 1 . . . . . 172 THR HA . 27876 1 2132 . 1 1 172 172 THR HB H 1 4.799 0.020 . 1 . . . . . 172 THR HB . 27876 1 2133 . 1 1 172 172 THR HG21 H 1 1.450 0.020 . 1 . . . . . 172 THR HG2 . 27876 1 2134 . 1 1 172 172 THR HG22 H 1 1.450 0.020 . 1 . . . . . 172 THR HG2 . 27876 1 2135 . 1 1 172 172 THR HG23 H 1 1.450 0.020 . 1 . . . . . 172 THR HG2 . 27876 1 2136 . 1 1 172 172 THR C C 13 174.929 0.3 . 1 . . . . . 172 THR C . 27876 1 2137 . 1 1 172 172 THR CA C 13 61.665 0.3 . 1 . . . . . 172 THR CA . 27876 1 2138 . 1 1 172 172 THR CB C 13 69.926 0.3 . 1 . . . . . 172 THR CB . 27876 1 2139 . 1 1 172 172 THR CG2 C 13 22.479 0.3 . 1 . . . . . 172 THR CG2 . 27876 1 2140 . 1 1 172 172 THR N N 15 108.939 0.3 . 1 . . . . . 172 THR N . 27876 1 2141 . 1 1 173 173 GLU H H 1 8.980 0.020 . 1 . . . . . 173 GLU H . 27876 1 2142 . 1 1 173 173 GLU HA H 1 3.851 0.020 . 1 . . . . . 173 GLU HA . 27876 1 2143 . 1 1 173 173 GLU HB2 H 1 2.167 0.020 . 1 . . . . . 173 GLU HB2 . 27876 1 2144 . 1 1 173 173 GLU HB3 H 1 2.167 0.020 . 1 . . . . . 173 GLU HB3 . 27876 1 2145 . 1 1 173 173 GLU HG2 H 1 2.261 0.020 . 1 . . . . . 173 GLU HG2 . 27876 1 2146 . 1 1 173 173 GLU HG3 H 1 2.261 0.020 . 1 . . . . . 173 GLU HG3 . 27876 1 2147 . 1 1 173 173 GLU C C 13 178.937 0.3 . 1 . . . . . 173 GLU C . 27876 1 2148 . 1 1 173 173 GLU CA C 13 60.089 0.3 . 1 . . . . . 173 GLU CA . 27876 1 2149 . 1 1 173 173 GLU CB C 13 29.606 0.3 . 1 . . . . . 173 GLU CB . 27876 1 2150 . 1 1 173 173 GLU CG C 13 36.358 0.3 . 1 . . . . . 173 GLU CG . 27876 1 2151 . 1 1 173 173 GLU N N 15 121.441 0.3 . 1 . . . . . 173 GLU N . 27876 1 2152 . 1 1 174 174 ALA H H 1 8.655 0.020 . 1 . . . . . 174 ALA H . 27876 1 2153 . 1 1 174 174 ALA HA H 1 4.076 0.020 . 1 . . . . . 174 ALA HA . 27876 1 2154 . 1 1 174 174 ALA HB1 H 1 1.435 0.020 . 1 . . . . . 174 ALA HB . 27876 1 2155 . 1 1 174 174 ALA HB2 H 1 1.435 0.020 . 1 . . . . . 174 ALA HB . 27876 1 2156 . 1 1 174 174 ALA HB3 H 1 1.435 0.020 . 1 . . . . . 174 ALA HB . 27876 1 2157 . 1 1 174 174 ALA C C 13 179.880 0.3 . 1 . . . . . 174 ALA C . 27876 1 2158 . 1 1 174 174 ALA CA C 13 55.107 0.3 . 1 . . . . . 174 ALA CA . 27876 1 2159 . 1 1 174 174 ALA CB C 13 18.417 0.3 . 1 . . . . . 174 ALA CB . 27876 1 2160 . 1 1 174 174 ALA N N 15 121.101 0.3 . 1 . . . . . 174 ALA N . 27876 1 2161 . 1 1 175 175 ALA H H 1 8.016 0.020 . 1 . . . . . 175 ALA H . 27876 1 2162 . 1 1 175 175 ALA HA H 1 3.982 0.020 . 1 . . . . . 175 ALA HA . 27876 1 2163 . 1 1 175 175 ALA HB1 H 1 1.433 0.020 . 1 . . . . . 175 ALA HB . 27876 1 2164 . 1 1 175 175 ALA HB2 H 1 1.433 0.020 . 1 . . . . . 175 ALA HB . 27876 1 2165 . 1 1 175 175 ALA HB3 H 1 1.433 0.020 . 1 . . . . . 175 ALA HB . 27876 1 2166 . 1 1 175 175 ALA C C 13 180.809 0.3 . 1 . . . . . 175 ALA C . 27876 1 2167 . 1 1 175 175 ALA CA C 13 54.932 0.3 . 1 . . . . . 175 ALA CA . 27876 1 2168 . 1 1 175 175 ALA CB C 13 18.862 0.3 . 1 . . . . . 175 ALA CB . 27876 1 2169 . 1 1 175 175 ALA N N 15 121.249 0.3 . 1 . . . . . 175 ALA N . 27876 1 2170 . 1 1 176 176 ILE H H 1 7.950 0.020 . 1 . . . . . 176 ILE H . 27876 1 2171 . 1 1 176 176 ILE HA H 1 3.305 0.020 . 1 . . . . . 176 ILE HA . 27876 1 2172 . 1 1 176 176 ILE HB H 1 1.752 0.020 . 1 . . . . . 176 ILE HB . 27876 1 2173 . 1 1 176 176 ILE HG12 H 1 1.628 0.020 . 2 . . . . . 176 ILE HG12 . 27876 1 2174 . 1 1 176 176 ILE HG13 H 1 0.582 0.020 . 2 . . . . . 176 ILE HG13 . 27876 1 2175 . 1 1 176 176 ILE HG21 H 1 0.723 0.020 . 1 . . . . . 176 ILE HG2 . 27876 1 2176 . 1 1 176 176 ILE HG22 H 1 0.723 0.020 . 1 . . . . . 176 ILE HG2 . 27876 1 2177 . 1 1 176 176 ILE HG23 H 1 0.723 0.020 . 1 . . . . . 176 ILE HG2 . 27876 1 2178 . 1 1 176 176 ILE HD11 H 1 0.587 0.020 . 1 . . . . . 176 ILE HD1 . 27876 1 2179 . 1 1 176 176 ILE HD12 H 1 0.587 0.020 . 1 . . . . . 176 ILE HD1 . 27876 1 2180 . 1 1 176 176 ILE HD13 H 1 0.587 0.020 . 1 . . . . . 176 ILE HD1 . 27876 1 2181 . 1 1 176 176 ILE C C 13 177.467 0.3 . 1 . . . . . 176 ILE C . 27876 1 2182 . 1 1 176 176 ILE CA C 13 65.786 0.3 . 1 . . . . . 176 ILE CA . 27876 1 2183 . 1 1 176 176 ILE CB C 13 38.313 0.3 . 1 . . . . . 176 ILE CB . 27876 1 2184 . 1 1 176 176 ILE CG1 C 13 30.487 0.3 . 1 . . . . . 176 ILE CG1 . 27876 1 2185 . 1 1 176 176 ILE CG2 C 13 16.868 0.3 . 1 . . . . . 176 ILE CG2 . 27876 1 2186 . 1 1 176 176 ILE CD1 C 13 13.818 0.3 . 1 . . . . . 176 ILE CD1 . 27876 1 2187 . 1 1 176 176 ILE N N 15 118.892 0.3 . 1 . . . . . 176 ILE N . 27876 1 2188 . 1 1 177 177 THR H H 1 8.643 0.020 . 1 . . . . . 177 THR H . 27876 1 2189 . 1 1 177 177 THR HA H 1 3.808 0.020 . 1 . . . . . 177 THR HA . 27876 1 2190 . 1 1 177 177 THR HB H 1 4.261 0.020 . 1 . . . . . 177 THR HB . 27876 1 2191 . 1 1 177 177 THR HG21 H 1 1.260 0.020 . 1 . . . . . 177 THR HG2 . 27876 1 2192 . 1 1 177 177 THR HG22 H 1 1.260 0.020 . 1 . . . . . 177 THR HG2 . 27876 1 2193 . 1 1 177 177 THR HG23 H 1 1.260 0.020 . 1 . . . . . 177 THR HG2 . 27876 1 2194 . 1 1 177 177 THR C C 13 176.080 0.3 . 1 . . . . . 177 THR C . 27876 1 2195 . 1 1 177 177 THR CA C 13 67.339 0.3 . 1 . . . . . 177 THR CA . 27876 1 2196 . 1 1 177 177 THR CB C 13 68.563 0.3 . 1 . . . . . 177 THR CB . 27876 1 2197 . 1 1 177 177 THR CG2 C 13 21.802 0.3 . 1 . . . . . 177 THR CG2 . 27876 1 2198 . 1 1 177 177 THR N N 15 116.678 0.3 . 1 . . . . . 177 THR N . 27876 1 2199 . 1 1 178 178 LYS H H 1 7.724 0.020 . 1 . . . . . 178 LYS H . 27876 1 2200 . 1 1 178 178 LYS HA H 1 3.987 0.020 . 1 . . . . . 178 LYS HA . 27876 1 2201 . 1 1 178 178 LYS HB2 H 1 1.837 0.020 . 1 . . . . . 178 LYS HB2 . 27876 1 2202 . 1 1 178 178 LYS HB3 H 1 1.837 0.020 . 1 . . . . . 178 LYS HB3 . 27876 1 2203 . 1 1 178 178 LYS HG2 H 1 1.504 0.020 . 2 . . . . . 178 LYS HG2 . 27876 1 2204 . 1 1 178 178 LYS HG3 H 1 1.316 0.020 . 2 . . . . . 178 LYS HG3 . 27876 1 2205 . 1 1 178 178 LYS HD2 H 1 1.619 0.020 . 1 . . . . . 178 LYS HD2 . 27876 1 2206 . 1 1 178 178 LYS HD3 H 1 1.619 0.020 . 1 . . . . . 178 LYS HD3 . 27876 1 2207 . 1 1 178 178 LYS HE2 H 1 2.900 0.020 . 1 . . . . . 178 LYS HE2 . 27876 1 2208 . 1 1 178 178 LYS HE3 H 1 2.900 0.020 . 1 . . . . . 178 LYS HE3 . 27876 1 2209 . 1 1 178 178 LYS C C 13 179.256 0.3 . 1 . . . . . 178 LYS C . 27876 1 2210 . 1 1 178 178 LYS CA C 13 59.792 0.3 . 1 . . . . . 178 LYS CA . 27876 1 2211 . 1 1 178 178 LYS CB C 13 32.255 0.3 . 1 . . . . . 178 LYS CB . 27876 1 2212 . 1 1 178 178 LYS CG C 13 25.375 0.3 . 1 . . . . . 178 LYS CG . 27876 1 2213 . 1 1 178 178 LYS CD C 13 29.742 0.3 . 1 . . . . . 178 LYS CD . 27876 1 2214 . 1 1 178 178 LYS CE C 13 42.180 0.3 . 1 . . . . . 178 LYS CE . 27876 1 2215 . 1 1 178 178 LYS N N 15 120.869 0.3 . 1 . . . . . 178 LYS N . 27876 1 2216 . 1 1 179 179 LEU H H 1 7.431 0.020 . 1 . . . . . 179 LEU H . 27876 1 2217 . 1 1 179 179 LEU HA H 1 3.810 0.020 . 1 . . . . . 179 LEU HA . 27876 1 2218 . 1 1 179 179 LEU HB2 H 1 1.347 0.020 . 2 . . . . . 179 LEU HB2 . 27876 1 2219 . 1 1 179 179 LEU HB3 H 1 -0.116 0.020 . 2 . . . . . 179 LEU HB3 . 27876 1 2220 . 1 1 179 179 LEU HG H 1 1.593 0.020 . 1 . . . . . 179 LEU HG . 27876 1 2221 . 1 1 179 179 LEU HD11 H 1 0.675 0.020 . 2 . . . . . 179 LEU HD1 . 27876 1 2222 . 1 1 179 179 LEU HD12 H 1 0.675 0.020 . 2 . . . . . 179 LEU HD1 . 27876 1 2223 . 1 1 179 179 LEU HD13 H 1 0.675 0.020 . 2 . . . . . 179 LEU HD1 . 27876 1 2224 . 1 1 179 179 LEU HD21 H 1 0.395 0.020 . 2 . . . . . 179 LEU HD2 . 27876 1 2225 . 1 1 179 179 LEU HD22 H 1 0.395 0.020 . 2 . . . . . 179 LEU HD2 . 27876 1 2226 . 1 1 179 179 LEU HD23 H 1 0.395 0.020 . 2 . . . . . 179 LEU HD2 . 27876 1 2227 . 1 1 179 179 LEU C C 13 178.576 0.3 . 1 . . . . . 179 LEU C . 27876 1 2228 . 1 1 179 179 LEU CA C 13 57.851 0.3 . 1 . . . . . 179 LEU CA . 27876 1 2229 . 1 1 179 179 LEU CB C 13 40.202 0.3 . 1 . . . . . 179 LEU CB . 27876 1 2230 . 1 1 179 179 LEU CG C 13 25.347 0.3 . 1 . . . . . 179 LEU CG . 27876 1 2231 . 1 1 179 179 LEU CD1 C 13 22.812 0.3 . 1 . . . . . 179 LEU CD1 . 27876 1 2232 . 1 1 179 179 LEU CD2 C 13 26.217 0.3 . 1 . . . . . 179 LEU CD2 . 27876 1 2233 . 1 1 179 179 LEU N N 15 119.829 0.3 . 1 . . . . . 179 LEU N . 27876 1 2234 . 1 1 180 180 ILE H H 1 8.364 0.020 . 1 . . . . . 180 ILE H . 27876 1 2235 . 1 1 180 180 ILE HA H 1 3.998 0.020 . 1 . . . . . 180 ILE HA . 27876 1 2236 . 1 1 180 180 ILE HB H 1 2.125 0.020 . 1 . . . . . 180 ILE HB . 27876 1 2237 . 1 1 180 180 ILE HG12 H 1 1.247 0.020 . 2 . . . . . 180 ILE HG12 . 27876 1 2238 . 1 1 180 180 ILE HG13 H 1 2.287 0.020 . 2 . . . . . 180 ILE HG13 . 27876 1 2239 . 1 1 180 180 ILE HG21 H 1 1.116 0.020 . 1 . . . . . 180 ILE HG2 . 27876 1 2240 . 1 1 180 180 ILE HG22 H 1 1.116 0.020 . 1 . . . . . 180 ILE HG2 . 27876 1 2241 . 1 1 180 180 ILE HG23 H 1 1.116 0.020 . 1 . . . . . 180 ILE HG2 . 27876 1 2242 . 1 1 180 180 ILE HD11 H 1 0.957 0.020 . 1 . . . . . 180 ILE HD1 . 27876 1 2243 . 1 1 180 180 ILE HD12 H 1 0.957 0.020 . 1 . . . . . 180 ILE HD1 . 27876 1 2244 . 1 1 180 180 ILE HD13 H 1 0.957 0.020 . 1 . . . . . 180 ILE HD1 . 27876 1 2245 . 1 1 180 180 ILE C C 13 178.507 0.3 . 1 . . . . . 180 ILE C . 27876 1 2246 . 1 1 180 180 ILE CA C 13 66.281 0.3 . 1 . . . . . 180 ILE CA . 27876 1 2247 . 1 1 180 180 ILE CB C 13 38.412 0.3 . 1 . . . . . 180 ILE CB . 27876 1 2248 . 1 1 180 180 ILE CG1 C 13 31.583 0.3 . 1 . . . . . 180 ILE CG1 . 27876 1 2249 . 1 1 180 180 ILE CG2 C 13 17.374 0.3 . 1 . . . . . 180 ILE CG2 . 27876 1 2250 . 1 1 180 180 ILE CD1 C 13 14.474 0.3 . 1 . . . . . 180 ILE CD1 . 27876 1 2251 . 1 1 180 180 ILE N N 15 120.212 0.3 . 1 . . . . . 180 ILE N . 27876 1 2252 . 1 1 181 181 GLU H H 1 8.247 0.020 . 1 . . . . . 181 GLU H . 27876 1 2253 . 1 1 181 181 GLU HA H 1 4.052 0.020 . 1 . . . . . 181 GLU HA . 27876 1 2254 . 1 1 181 181 GLU HB2 H 1 2.047 0.020 . 2 . . . . . 181 GLU HB2 . 27876 1 2255 . 1 1 181 181 GLU HB3 H 1 1.997 0.020 . 2 . . . . . 181 GLU HB3 . 27876 1 2256 . 1 1 181 181 GLU HG2 H 1 2.456 0.020 . 2 . . . . . 181 GLU HG2 . 27876 1 2257 . 1 1 181 181 GLU HG3 H 1 2.266 0.020 . 2 . . . . . 181 GLU HG3 . 27876 1 2258 . 1 1 181 181 GLU C C 13 178.729 0.3 . 1 . . . . . 181 GLU C . 27876 1 2259 . 1 1 181 181 GLU CA C 13 59.037 0.3 . 1 . . . . . 181 GLU CA . 27876 1 2260 . 1 1 181 181 GLU CB C 13 29.275 0.3 . 1 . . . . . 181 GLU CB . 27876 1 2261 . 1 1 181 181 GLU CG C 13 36.424 0.3 . 1 . . . . . 181 GLU CG . 27876 1 2262 . 1 1 181 181 GLU N N 15 118.153 0.3 . 1 . . . . . 181 GLU N . 27876 1 2263 . 1 1 182 182 ARG H H 1 7.926 0.020 . 1 . . . . . 182 ARG H . 27876 1 2264 . 1 1 182 182 ARG HA H 1 3.934 0.020 . 1 . . . . . 182 ARG HA . 27876 1 2265 . 1 1 182 182 ARG HB2 H 1 1.759 0.020 . 2 . . . . . 182 ARG HB2 . 27876 1 2266 . 1 1 182 182 ARG HB3 H 1 1.569 0.020 . 2 . . . . . 182 ARG HB3 . 27876 1 2267 . 1 1 182 182 ARG HG2 H 1 1.209 0.020 . 2 . . . . . 182 ARG HG2 . 27876 1 2268 . 1 1 182 182 ARG HG3 H 1 0.795 0.020 . 2 . . . . . 182 ARG HG3 . 27876 1 2269 . 1 1 182 182 ARG HD2 H 1 2.875 0.020 . 2 . . . . . 182 ARG HD2 . 27876 1 2270 . 1 1 182 182 ARG HD3 H 1 2.773 0.020 . 2 . . . . . 182 ARG HD3 . 27876 1 2271 . 1 1 182 182 ARG C C 13 178.022 0.3 . 1 . . . . . 182 ARG C . 27876 1 2272 . 1 1 182 182 ARG CA C 13 58.674 0.3 . 1 . . . . . 182 ARG CA . 27876 1 2273 . 1 1 182 182 ARG CB C 13 30.599 0.3 . 1 . . . . . 182 ARG CB . 27876 1 2274 . 1 1 182 182 ARG CG C 13 26.566 0.3 . 1 . . . . . 182 ARG CG . 27876 1 2275 . 1 1 182 182 ARG CD C 13 43.473 0.3 . 1 . . . . . 182 ARG CD . 27876 1 2276 . 1 1 182 182 ARG N N 15 118.058 0.3 . 1 . . . . . 182 ARG N . 27876 1 2277 . 1 1 183 183 PHE H H 1 8.318 0.020 . 1 . . . . . 183 PHE H . 27876 1 2278 . 1 1 183 183 PHE HA H 1 4.386 0.020 . 1 . . . . . 183 PHE HA . 27876 1 2279 . 1 1 183 183 PHE HB2 H 1 2.717 0.020 . 1 . . . . . 183 PHE HB2 . 27876 1 2280 . 1 1 183 183 PHE HB3 H 1 2.717 0.020 . 1 . . . . . 183 PHE HB3 . 27876 1 2281 . 1 1 183 183 PHE HD1 H 1 7.480 0.020 . 1 . . . . . 183 PHE HD1 . 27876 1 2282 . 1 1 183 183 PHE HD2 H 1 7.480 0.020 . 1 . . . . . 183 PHE HD2 . 27876 1 2283 . 1 1 183 183 PHE HE1 H 1 7.283 0.020 . 1 . . . . . 183 PHE HE1 . 27876 1 2284 . 1 1 183 183 PHE HE2 H 1 7.283 0.020 . 1 . . . . . 183 PHE HE2 . 27876 1 2285 . 1 1 183 183 PHE C C 13 176.663 0.3 . 1 . . . . . 183 PHE C . 27876 1 2286 . 1 1 183 183 PHE CA C 13 61.231 0.3 . 1 . . . . . 183 PHE CA . 27876 1 2287 . 1 1 183 183 PHE CB C 13 39.701 0.3 . 1 . . . . . 183 PHE CB . 27876 1 2288 . 1 1 183 183 PHE CD1 C 13 132.269 0.3 . 1 . . . . . 183 PHE CD1 . 27876 1 2289 . 1 1 183 183 PHE CD2 C 13 132.269 0.3 . 1 . . . . . 183 PHE CD2 . 27876 1 2290 . 1 1 183 183 PHE CE1 C 13 129.780 0.3 . 1 . . . . . 183 PHE CE1 . 27876 1 2291 . 1 1 183 183 PHE CE2 C 13 129.780 0.3 . 1 . . . . . 183 PHE CE2 . 27876 1 2292 . 1 1 183 183 PHE N N 15 113.928 0.3 . 1 . . . . . 183 PHE N . 27876 1 2293 . 1 1 184 184 TYR H H 1 8.601 0.020 . 1 . . . . . 184 TYR H . 27876 1 2294 . 1 1 184 184 TYR HA H 1 5.032 0.020 . 1 . . . . . 184 TYR HA . 27876 1 2295 . 1 1 184 184 TYR HB2 H 1 3.246 0.020 . 2 . . . . . 184 TYR HB2 . 27876 1 2296 . 1 1 184 184 TYR HB3 H 1 3.088 0.020 . 2 . . . . . 184 TYR HB3 . 27876 1 2297 . 1 1 184 184 TYR HD1 H 1 7.426 0.020 . 1 . . . . . 184 TYR HD1 . 27876 1 2298 . 1 1 184 184 TYR HE1 H 1 6.979 0.020 . 1 . . . . . 184 TYR HE1 . 27876 1 2299 . 1 1 184 184 TYR C C 13 176.829 0.3 . 1 . . . . . 184 TYR C . 27876 1 2300 . 1 1 184 184 TYR CA C 13 57.758 0.3 . 1 . . . . . 184 TYR CA . 27876 1 2301 . 1 1 184 184 TYR CB C 13 38.263 0.3 . 1 . . . . . 184 TYR CB . 27876 1 2302 . 1 1 184 184 TYR CD1 C 13 132.518 0.3 . 1 . . . . . 184 TYR CD1 . 27876 1 2303 . 1 1 184 184 TYR CE1 C 13 118.230 0.3 . 1 . . . . . 184 TYR CE1 . 27876 1 2304 . 1 1 184 184 TYR N N 15 116.896 0.3 . 1 . . . . . 184 TYR N . 27876 1 2305 . 1 1 185 185 GLY H H 1 7.639 0.020 . 1 . . . . . 185 GLY H . 27876 1 2306 . 1 1 185 185 GLY HA2 H 1 4.183 0.020 . 2 . . . . . 185 GLY HA2 . 27876 1 2307 . 1 1 185 185 GLY HA3 H 1 4.069 0.020 . 2 . . . . . 185 GLY HA3 . 27876 1 2308 . 1 1 185 185 GLY C C 13 173.903 0.3 . 1 . . . . . 185 GLY C . 27876 1 2309 . 1 1 185 185 GLY CA C 13 45.464 0.3 . 1 . . . . . 185 GLY CA . 27876 1 2310 . 1 1 185 185 GLY N N 15 108.129 0.3 . 1 . . . . . 185 GLY N . 27876 1 2311 . 1 1 186 186 LYS H H 1 8.125 0.020 . 1 . . . . . 186 LYS H . 27876 1 2312 . 1 1 186 186 LYS HA H 1 4.348 0.020 . 1 . . . . . 186 LYS HA . 27876 1 2313 . 1 1 186 186 LYS HB2 H 1 1.858 0.020 . 2 . . . . . 186 LYS HB2 . 27876 1 2314 . 1 1 186 186 LYS HB3 H 1 1.738 0.020 . 2 . . . . . 186 LYS HB3 . 27876 1 2315 . 1 1 186 186 LYS HG2 H 1 1.447 0.020 . 2 . . . . . 186 LYS HG2 . 27876 1 2316 . 1 1 186 186 LYS HG3 H 1 1.409 0.020 . 2 . . . . . 186 LYS HG3 . 27876 1 2317 . 1 1 186 186 LYS HD2 H 1 1.682 0.020 . 1 . . . . . 186 LYS HD2 . 27876 1 2318 . 1 1 186 186 LYS HD3 H 1 1.682 0.020 . 1 . . . . . 186 LYS HD3 . 27876 1 2319 . 1 1 186 186 LYS C C 13 176.316 0.3 . 1 . . . . . 186 LYS C . 27876 1 2320 . 1 1 186 186 LYS CA C 13 56.120 0.3 . 1 . . . . . 186 LYS CA . 27876 1 2321 . 1 1 186 186 LYS CB C 13 32.983 0.3 . 1 . . . . . 186 LYS CB . 27876 1 2322 . 1 1 186 186 LYS CG C 13 24.764 0.3 . 1 . . . . . 186 LYS CG . 27876 1 2323 . 1 1 186 186 LYS CD C 13 29.278 0.3 . 1 . . . . . 186 LYS CD . 27876 1 2324 . 1 1 186 186 LYS CE C 13 42.246 0.3 . 1 . . . . . 186 LYS CE . 27876 1 2325 . 1 1 186 186 LYS N N 15 119.799 0.3 . 1 . . . . . 186 LYS N . 27876 1 2326 . 1 1 187 187 ALA H H 1 8.283 0.020 . 1 . . . . . 187 ALA H . 27876 1 2327 . 1 1 187 187 ALA HA H 1 4.294 0.020 . 1 . . . . . 187 ALA HA . 27876 1 2328 . 1 1 187 187 ALA HB1 H 1 1.361 0.020 . 1 . . . . . 187 ALA HB . 27876 1 2329 . 1 1 187 187 ALA HB2 H 1 1.361 0.020 . 1 . . . . . 187 ALA HB . 27876 1 2330 . 1 1 187 187 ALA HB3 H 1 1.361 0.020 . 1 . . . . . 187 ALA HB . 27876 1 2331 . 1 1 187 187 ALA C C 13 177.509 0.3 . 1 . . . . . 187 ALA C . 27876 1 2332 . 1 1 187 187 ALA CA C 13 52.577 0.3 . 1 . . . . . 187 ALA CA . 27876 1 2333 . 1 1 187 187 ALA CB C 13 19.214 0.3 . 1 . . . . . 187 ALA CB . 27876 1 2334 . 1 1 187 187 ALA N N 15 125.437 0.3 . 1 . . . . . 187 ALA N . 27876 1 2335 . 1 1 188 188 GLU H H 1 8.322 0.020 . 1 . . . . . 188 GLU H . 27876 1 2336 . 1 1 188 188 GLU HA H 1 4.286 0.020 . 1 . . . . . 188 GLU HA . 27876 1 2337 . 1 1 188 188 GLU HB2 H 1 2.027 0.020 . 2 . . . . . 188 GLU HB2 . 27876 1 2338 . 1 1 188 188 GLU HB3 H 1 1.907 0.020 . 2 . . . . . 188 GLU HB3 . 27876 1 2339 . 1 1 188 188 GLU HG2 H 1 2.245 0.020 . 1 . . . . . 188 GLU HG2 . 27876 1 2340 . 1 1 188 188 GLU HG3 H 1 2.245 0.020 . 1 . . . . . 188 GLU HG3 . 27876 1 2341 . 1 1 188 188 GLU C C 13 176.191 0.3 . 1 . . . . . 188 GLU C . 27876 1 2342 . 1 1 188 188 GLU CA C 13 56.472 0.3 . 1 . . . . . 188 GLU CA . 27876 1 2343 . 1 1 188 188 GLU CB C 13 30.202 0.3 . 1 . . . . . 188 GLU CB . 27876 1 2344 . 1 1 188 188 GLU CG C 13 36.093 0.3 . 1 . . . . . 188 GLU CG . 27876 1 2345 . 1 1 188 188 GLU N N 15 119.962 0.3 . 1 . . . . . 188 GLU N . 27876 1 2346 . 1 1 189 189 LEU H H 1 8.141 0.020 . 1 . . . . . 189 LEU H . 27876 1 2347 . 1 1 189 189 LEU HA H 1 4.407 0.020 . 1 . . . . . 189 LEU HA . 27876 1 2348 . 1 1 189 189 LEU HB2 H 1 1.640 0.020 . 1 . . . . . 189 LEU HB2 . 27876 1 2349 . 1 1 189 189 LEU HB3 H 1 1.640 0.020 . 1 . . . . . 189 LEU HB3 . 27876 1 2350 . 1 1 189 189 LEU HG H 1 1.622 0.020 . 1 . . . . . 189 LEU HG . 27876 1 2351 . 1 1 189 189 LEU HD11 H 1 0.922 0.020 . 2 . . . . . 189 LEU HD1 . 27876 1 2352 . 1 1 189 189 LEU HD12 H 1 0.922 0.020 . 2 . . . . . 189 LEU HD1 . 27876 1 2353 . 1 1 189 189 LEU HD13 H 1 0.922 0.020 . 2 . . . . . 189 LEU HD1 . 27876 1 2354 . 1 1 189 189 LEU HD21 H 1 0.872 0.020 . 2 . . . . . 189 LEU HD2 . 27876 1 2355 . 1 1 189 189 LEU HD22 H 1 0.872 0.020 . 2 . . . . . 189 LEU HD2 . 27876 1 2356 . 1 1 189 189 LEU HD23 H 1 0.872 0.020 . 2 . . . . . 189 LEU HD2 . 27876 1 2357 . 1 1 189 189 LEU C C 13 177.065 0.3 . 1 . . . . . 189 LEU C . 27876 1 2358 . 1 1 189 189 LEU CA C 13 55.025 0.3 . 1 . . . . . 189 LEU CA . 27876 1 2359 . 1 1 189 189 LEU CB C 13 42.450 0.3 . 1 . . . . . 189 LEU CB . 27876 1 2360 . 1 1 189 189 LEU CG C 13 27.049 0.3 . 1 . . . . . 189 LEU CG . 27876 1 2361 . 1 1 189 189 LEU CD1 C 13 24.956 0.3 . 1 . . . . . 189 LEU CD1 . 27876 1 2362 . 1 1 189 189 LEU CD2 C 13 23.644 0.3 . 1 . . . . . 189 LEU CD2 . 27876 1 2363 . 1 1 189 189 LEU N N 15 122.982 0.3 . 1 . . . . . 189 LEU N . 27876 1 2364 . 1 1 190 190 SER H H 1 8.188 0.020 . 1 . . . . . 190 SER H . 27876 1 2365 . 1 1 190 190 SER HA H 1 4.469 0.020 . 1 . . . . . 190 SER HA . 27876 1 2366 . 1 1 190 190 SER HB2 H 1 3.850 0.020 . 2 . . . . . 190 SER HB2 . 27876 1 2367 . 1 1 190 190 SER HB3 H 1 3.797 0.020 . 2 . . . . . 190 SER HB3 . 27876 1 2368 . 1 1 190 190 SER C C 13 173.445 0.3 . 1 . . . . . 190 SER C . 27876 1 2369 . 1 1 190 190 SER CA C 13 58.203 0.3 . 1 . . . . . 190 SER CA . 27876 1 2370 . 1 1 190 190 SER CB C 13 64.100 0.3 . 1 . . . . . 190 SER CB . 27876 1 2371 . 1 1 190 190 SER N N 15 117.039 0.3 . 1 . . . . . 190 SER N . 27876 1 2372 . 1 1 191 191 GLU H H 1 7.876 0.020 . 1 . . . . . 191 GLU H . 27876 1 2373 . 1 1 191 191 GLU HA H 1 4.146 0.020 . 1 . . . . . 191 GLU HA . 27876 1 2374 . 1 1 191 191 GLU HB2 H 1 2.046 0.020 . 2 . . . . . 191 GLU HB2 . 27876 1 2375 . 1 1 191 191 GLU HB3 H 1 1.887 0.020 . 2 . . . . . 191 GLU HB3 . 27876 1 2376 . 1 1 191 191 GLU HG2 H 1 2.191 0.020 . 1 . . . . . 191 GLU HG2 . 27876 1 2377 . 1 1 191 191 GLU HG3 H 1 2.191 0.020 . 1 . . . . . 191 GLU HG3 . 27876 1 2378 . 1 1 191 191 GLU C C 13 180.879 0.3 . 1 . . . . . 191 GLU C . 27876 1 2379 . 1 1 191 191 GLU CA C 13 57.946 0.3 . 1 . . . . . 191 GLU CA . 27876 1 2380 . 1 1 191 191 GLU CB C 13 31.405 0.3 . 1 . . . . . 191 GLU CB . 27876 1 2381 . 1 1 191 191 GLU CG C 13 36.420 0.3 . 1 . . . . . 191 GLU CG . 27876 1 2382 . 1 1 191 191 GLU N N 15 127.446 0.3 . 1 . . . . . 191 GLU N . 27876 1 stop_ save_ save_assign_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assign_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27876 _Assigned_chem_shift_list.ID 2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err 0.3 _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 17 '2D 1H-13C HSQC aromatic' . . . 27876 2 18 '3D 1H-13C NOESY aromatic' . . . 27876 2 19 '3D 1H-13C NOESY aliphatic' . . . 27876 2 20 '2D 1H-13C HSQC aliphatic' . . . 27876 2 21 '2D 1H-13C HSQC aromatic' . . . 27876 2 22 '3D HCCH-COSY' . . . 27876 2 23 '3D H(C)N' . . . 27876 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27876 2 2 $CARA . . 27876 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 C2E C1' C 13 90.973 0.3 . 1 . . . . . 1 RGUA C1' . 27876 2 2 . 2 2 1 1 C2E C2' C 13 77.158 0.3 . 1 . . . . . 1 RGUA C2' . 27876 2 3 . 2 2 1 1 C2E C3' C 13 74.046 0.3 . 1 . . . . . 1 RGUA C3' . 27876 2 4 . 2 2 1 1 C2E C4' C 13 83.943 0.3 . 1 . . . . . 1 RGUA C4' . 27876 2 5 . 2 2 1 1 C2E C5' C 13 65.699 0.3 . 1 . . . . . 1 RGUA C5' . 27876 2 6 . 2 2 1 1 C2E C8 C 13 137.152 0.3 . 1 . . . . . 1 RGUA C8 . 27876 2 7 . 2 2 1 1 C2E H1' H 1 6.185 0.020 . 1 . . . . . 1 RGUA H1' . 27876 2 8 . 2 2 1 1 C2E H2' H 1 4.789 0.020 . 1 . . . . . 1 RGUA H2' . 27876 2 9 . 2 2 1 1 C2E H3' H 1 5.167 0.020 . 1 . . . . . 1 RGUA H3' . 27876 2 10 . 2 2 1 1 C2E H4' H 1 4.497 0.020 . 1 . . . . . 1 RGUA H4' . 27876 2 11 . 2 2 1 1 C2E H8 H 1 7.633 0.020 . 1 . . . . . 1 RGUA H8 . 27876 2 12 . 2 2 1 1 C2E N9 N 15 150.704 0.3 . 1 . . . . . 1 RGUA N9 . 27876 2 stop_ save_ save_assign_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assign_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 27876 _Assigned_chem_shift_list.ID 3 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err 0.3 _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 17 '2D 1H-13C HSQC aromatic' . . . 27876 3 18 '3D 1H-13C NOESY aromatic' . . . 27876 3 19 '3D 1H-13C NOESY aliphatic' . . . 27876 3 20 '2D 1H-13C HSQC aliphatic' . . . 27876 3 21 '2D 1H-13C HSQC aromatic' . . . 27876 3 22 '3D HCCH-COSY' . . . 27876 3 23 '3D H(C)N' . . . 27876 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27876 3 2 $CARA . . 27876 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 C2E C1' C 13 91.238 0.3 . 1 . . . . . 2 RGUA C1' . 27876 3 2 . 2 2 1 1 C2E C2' C 13 76.817 0.3 . 1 . . . . . 2 RGUA C2' . 27876 3 3 . 2 2 1 1 C2E C3' C 13 74.022 0.3 . 1 . . . . . 2 RGUA C3' . 27876 3 4 . 2 2 1 1 C2E C4' C 13 84.078 0.3 . 1 . . . . . 2 RGUA C4' . 27876 3 5 . 2 2 1 1 C2E C5' C 13 66.096 0.3 . 1 . . . . . 2 RGUA C5' . 27876 3 6 . 2 2 1 1 C2E C8 C 13 137.759 0.3 . 1 . . . . . 2 RGUA C8 . 27876 3 7 . 2 2 1 1 C2E H1' H 1 6.211 0.020 . 1 . . . . . 2 RGUA H1' . 27876 3 8 . 2 2 1 1 C2E H2' H 1 4.900 0.020 . 1 . . . . . 2 RGUA H2' . 27876 3 9 . 2 2 1 1 C2E H3' H 1 5.199 0.020 . 1 . . . . . 2 RGUA H3' . 27876 3 10 . 2 2 1 1 C2E H4' H 1 4.485 0.020 . 1 . . . . . 2 RGUA H4' . 27876 3 11 . 2 2 1 1 C2E H8 H 1 7.609 0.020 . 1 . . . . . 2 RGUA H8 . 27876 3 12 . 2 2 1 1 C2E N9 N 15 150.813 0.3 . 1 . . . . . 2 RGUA N9 . 27876 3 stop_ save_