data_50744 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50744 _Entry.Title ; Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-p450-reductase enables high-resolution NMR probing ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-01 _Entry.Accession_date 2021-02-01 _Entry.Last_release_date 2021-02-01 _Entry.Original_release_date 2021-02-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bankala Krishnarjuna . . . 0000-0002-4575-0011 50744 2 Ayyalusamy Ramamoorthy . . . 0000-0003-1964-1900 50744 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50744 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 50744 '15N chemical shifts' 191 50744 '1H chemical shifts' 191 50744 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-05-18 . original BMRB . 50744 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50744 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33982687 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nanodisc reconstitution of flavin mononucleotide binding domain of cytochrome-P450-reductase enables high-resolution NMR probing ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Commun. (Camb)' _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 39 _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 4819 _Citation.Page_last 4822 _Citation.Year 2021 _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 Bankala Krishnarjuna . . . . 50744 1 2 Ayyalusamy Ramamoorthy . . . . 50744 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50744 _Assembly.ID 1 _Assembly.Name Protein-lipid-nanodisc _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Protein-lipid-nanodisc 1 $entity_1 . . yes native no no . . . 50744 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50744 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGDSHEDTSATMPEAVAEEV SLFSTTDMVLFSLIVGVLTY WFIFRKKKEEIPEFSKIQTT APPVKESSFVEKMKKTGRNI IVFYGSQTGTAEEFANRLSK DAHRYGMRGMSADPEEYDLA DLSSLPEIDKSLVVFCMATY GEGDPTDNAQDFYDWLQETD VDLTGVKFAVFGLGNKTYEH FNAMGKYVDQRLEQLGAQRI FELGLGDDDGNLEEDFITWR EQFWPAVCEFFGVEATGEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 239 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50744 1 2 . GLY . 50744 1 3 . ASP . 50744 1 4 . SER . 50744 1 5 . HIS . 50744 1 6 . GLU . 50744 1 7 . ASP . 50744 1 8 . THR . 50744 1 9 . SER . 50744 1 10 . ALA . 50744 1 11 . THR . 50744 1 12 . MET . 50744 1 13 . PRO . 50744 1 14 . GLU . 50744 1 15 . ALA . 50744 1 16 . VAL . 50744 1 17 . ALA . 50744 1 18 . GLU . 50744 1 19 . GLU . 50744 1 20 . VAL . 50744 1 21 . SER . 50744 1 22 . LEU . 50744 1 23 . PHE . 50744 1 24 . SER . 50744 1 25 . THR . 50744 1 26 . THR . 50744 1 27 . ASP . 50744 1 28 . MET . 50744 1 29 . VAL . 50744 1 30 . LEU . 50744 1 31 . PHE . 50744 1 32 . SER . 50744 1 33 . LEU . 50744 1 34 . ILE . 50744 1 35 . VAL . 50744 1 36 . GLY . 50744 1 37 . VAL . 50744 1 38 . LEU . 50744 1 39 . THR . 50744 1 40 . TYR . 50744 1 41 . TRP . 50744 1 42 . PHE . 50744 1 43 . ILE . 50744 1 44 . PHE . 50744 1 45 . ARG . 50744 1 46 . LYS . 50744 1 47 . LYS . 50744 1 48 . LYS . 50744 1 49 . GLU . 50744 1 50 . GLU . 50744 1 51 . ILE . 50744 1 52 . PRO . 50744 1 53 . GLU . 50744 1 54 . PHE . 50744 1 55 . SER . 50744 1 56 . LYS . 50744 1 57 . ILE . 50744 1 58 . GLN . 50744 1 59 . THR . 50744 1 60 . THR . 50744 1 61 . ALA . 50744 1 62 . PRO . 50744 1 63 . PRO . 50744 1 64 . VAL . 50744 1 65 . LYS . 50744 1 66 . GLU . 50744 1 67 . SER . 50744 1 68 . SER . 50744 1 69 . PHE . 50744 1 70 . VAL . 50744 1 71 . GLU . 50744 1 72 . LYS . 50744 1 73 . MET . 50744 1 74 . LYS . 50744 1 75 . LYS . 50744 1 76 . THR . 50744 1 77 . GLY . 50744 1 78 . ARG . 50744 1 79 . ASN . 50744 1 80 . ILE . 50744 1 81 . ILE . 50744 1 82 . VAL . 50744 1 83 . PHE . 50744 1 84 . TYR . 50744 1 85 . GLY . 50744 1 86 . SER . 50744 1 87 . GLN . 50744 1 88 . THR . 50744 1 89 . GLY . 50744 1 90 . THR . 50744 1 91 . ALA . 50744 1 92 . GLU . 50744 1 93 . GLU . 50744 1 94 . PHE . 50744 1 95 . ALA . 50744 1 96 . ASN . 50744 1 97 . ARG . 50744 1 98 . LEU . 50744 1 99 . SER . 50744 1 100 . LYS . 50744 1 101 . ASP . 50744 1 102 . ALA . 50744 1 103 . HIS . 50744 1 104 . ARG . 50744 1 105 . TYR . 50744 1 106 . GLY . 50744 1 107 . MET . 50744 1 108 . ARG . 50744 1 109 . GLY . 50744 1 110 . MET . 50744 1 111 . SER . 50744 1 112 . ALA . 50744 1 113 . ASP . 50744 1 114 . PRO . 50744 1 115 . GLU . 50744 1 116 . GLU . 50744 1 117 . TYR . 50744 1 118 . ASP . 50744 1 119 . LEU . 50744 1 120 . ALA . 50744 1 121 . ASP . 50744 1 122 . LEU . 50744 1 123 . SER . 50744 1 124 . SER . 50744 1 125 . LEU . 50744 1 126 . PRO . 50744 1 127 . GLU . 50744 1 128 . ILE . 50744 1 129 . ASP . 50744 1 130 . LYS . 50744 1 131 . SER . 50744 1 132 . LEU . 50744 1 133 . VAL . 50744 1 134 . VAL . 50744 1 135 . PHE . 50744 1 136 . CYS . 50744 1 137 . MET . 50744 1 138 . ALA . 50744 1 139 . THR . 50744 1 140 . TYR . 50744 1 141 . GLY . 50744 1 142 . GLU . 50744 1 143 . GLY . 50744 1 144 . ASP . 50744 1 145 . PRO . 50744 1 146 . THR . 50744 1 147 . ASP . 50744 1 148 . ASN . 50744 1 149 . ALA . 50744 1 150 . GLN . 50744 1 151 . ASP . 50744 1 152 . PHE . 50744 1 153 . TYR . 50744 1 154 . ASP . 50744 1 155 . TRP . 50744 1 156 . LEU . 50744 1 157 . GLN . 50744 1 158 . GLU . 50744 1 159 . THR . 50744 1 160 . ASP . 50744 1 161 . VAL . 50744 1 162 . ASP . 50744 1 163 . LEU . 50744 1 164 . THR . 50744 1 165 . GLY . 50744 1 166 . VAL . 50744 1 167 . LYS . 50744 1 168 . PHE . 50744 1 169 . ALA . 50744 1 170 . VAL . 50744 1 171 . PHE . 50744 1 172 . GLY . 50744 1 173 . LEU . 50744 1 174 . GLY . 50744 1 175 . ASN . 50744 1 176 . LYS . 50744 1 177 . THR . 50744 1 178 . TYR . 50744 1 179 . GLU . 50744 1 180 . HIS . 50744 1 181 . PHE . 50744 1 182 . ASN . 50744 1 183 . ALA . 50744 1 184 . MET . 50744 1 185 . GLY . 50744 1 186 . LYS . 50744 1 187 . TYR . 50744 1 188 . VAL . 50744 1 189 . ASP . 50744 1 190 . GLN . 50744 1 191 . ARG . 50744 1 192 . LEU . 50744 1 193 . GLU . 50744 1 194 . GLN . 50744 1 195 . LEU . 50744 1 196 . GLY . 50744 1 197 . ALA . 50744 1 198 . GLN . 50744 1 199 . ARG . 50744 1 200 . ILE . 50744 1 201 . PHE . 50744 1 202 . GLU . 50744 1 203 . LEU . 50744 1 204 . GLY . 50744 1 205 . LEU . 50744 1 206 . GLY . 50744 1 207 . ASP . 50744 1 208 . ASP . 50744 1 209 . ASP . 50744 1 210 . GLY . 50744 1 211 . ASN . 50744 1 212 . LEU . 50744 1 213 . GLU . 50744 1 214 . GLU . 50744 1 215 . ASP . 50744 1 216 . PHE . 50744 1 217 . ILE . 50744 1 218 . THR . 50744 1 219 . TRP . 50744 1 220 . ARG . 50744 1 221 . GLU . 50744 1 222 . GLN . 50744 1 223 . PHE . 50744 1 224 . TRP . 50744 1 225 . PRO . 50744 1 226 . ALA . 50744 1 227 . VAL . 50744 1 228 . CYS . 50744 1 229 . GLU . 50744 1 230 . PHE . 50744 1 231 . PHE . 50744 1 232 . GLY . 50744 1 233 . VAL . 50744 1 234 . GLU . 50744 1 235 . ALA . 50744 1 236 . THR . 50744 1 237 . GLY . 50744 1 238 . GLU . 50744 1 239 . GLU . 50744 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50744 1 . GLY 2 2 50744 1 . ASP 3 3 50744 1 . SER 4 4 50744 1 . HIS 5 5 50744 1 . GLU 6 6 50744 1 . ASP 7 7 50744 1 . THR 8 8 50744 1 . SER 9 9 50744 1 . ALA 10 10 50744 1 . THR 11 11 50744 1 . MET 12 12 50744 1 . PRO 13 13 50744 1 . GLU 14 14 50744 1 . ALA 15 15 50744 1 . VAL 16 16 50744 1 . ALA 17 17 50744 1 . GLU 18 18 50744 1 . GLU 19 19 50744 1 . VAL 20 20 50744 1 . SER 21 21 50744 1 . LEU 22 22 50744 1 . PHE 23 23 50744 1 . SER 24 24 50744 1 . THR 25 25 50744 1 . THR 26 26 50744 1 . ASP 27 27 50744 1 . MET 28 28 50744 1 . VAL 29 29 50744 1 . LEU 30 30 50744 1 . PHE 31 31 50744 1 . SER 32 32 50744 1 . LEU 33 33 50744 1 . ILE 34 34 50744 1 . VAL 35 35 50744 1 . GLY 36 36 50744 1 . VAL 37 37 50744 1 . LEU 38 38 50744 1 . THR 39 39 50744 1 . TYR 40 40 50744 1 . TRP 41 41 50744 1 . PHE 42 42 50744 1 . ILE 43 43 50744 1 . PHE 44 44 50744 1 . ARG 45 45 50744 1 . LYS 46 46 50744 1 . LYS 47 47 50744 1 . LYS 48 48 50744 1 . GLU 49 49 50744 1 . GLU 50 50 50744 1 . ILE 51 51 50744 1 . PRO 52 52 50744 1 . GLU 53 53 50744 1 . PHE 54 54 50744 1 . SER 55 55 50744 1 . LYS 56 56 50744 1 . ILE 57 57 50744 1 . GLN 58 58 50744 1 . THR 59 59 50744 1 . THR 60 60 50744 1 . ALA 61 61 50744 1 . PRO 62 62 50744 1 . PRO 63 63 50744 1 . VAL 64 64 50744 1 . LYS 65 65 50744 1 . GLU 66 66 50744 1 . SER 67 67 50744 1 . SER 68 68 50744 1 . PHE 69 69 50744 1 . VAL 70 70 50744 1 . GLU 71 71 50744 1 . LYS 72 72 50744 1 . MET 73 73 50744 1 . LYS 74 74 50744 1 . LYS 75 75 50744 1 . THR 76 76 50744 1 . GLY 77 77 50744 1 . ARG 78 78 50744 1 . ASN 79 79 50744 1 . ILE 80 80 50744 1 . ILE 81 81 50744 1 . VAL 82 82 50744 1 . PHE 83 83 50744 1 . TYR 84 84 50744 1 . GLY 85 85 50744 1 . SER 86 86 50744 1 . GLN 87 87 50744 1 . THR 88 88 50744 1 . GLY 89 89 50744 1 . THR 90 90 50744 1 . ALA 91 91 50744 1 . GLU 92 92 50744 1 . GLU 93 93 50744 1 . PHE 94 94 50744 1 . ALA 95 95 50744 1 . ASN 96 96 50744 1 . ARG 97 97 50744 1 . LEU 98 98 50744 1 . SER 99 99 50744 1 . LYS 100 100 50744 1 . ASP 101 101 50744 1 . ALA 102 102 50744 1 . HIS 103 103 50744 1 . ARG 104 104 50744 1 . TYR 105 105 50744 1 . GLY 106 106 50744 1 . MET 107 107 50744 1 . ARG 108 108 50744 1 . GLY 109 109 50744 1 . MET 110 110 50744 1 . SER 111 111 50744 1 . ALA 112 112 50744 1 . ASP 113 113 50744 1 . PRO 114 114 50744 1 . GLU 115 115 50744 1 . GLU 116 116 50744 1 . TYR 117 117 50744 1 . ASP 118 118 50744 1 . LEU 119 119 50744 1 . ALA 120 120 50744 1 . ASP 121 121 50744 1 . LEU 122 122 50744 1 . SER 123 123 50744 1 . SER 124 124 50744 1 . LEU 125 125 50744 1 . PRO 126 126 50744 1 . GLU 127 127 50744 1 . ILE 128 128 50744 1 . ASP 129 129 50744 1 . LYS 130 130 50744 1 . SER 131 131 50744 1 . LEU 132 132 50744 1 . VAL 133 133 50744 1 . VAL 134 134 50744 1 . PHE 135 135 50744 1 . CYS 136 136 50744 1 . MET 137 137 50744 1 . ALA 138 138 50744 1 . THR 139 139 50744 1 . TYR 140 140 50744 1 . GLY 141 141 50744 1 . GLU 142 142 50744 1 . GLY 143 143 50744 1 . ASP 144 144 50744 1 . PRO 145 145 50744 1 . THR 146 146 50744 1 . ASP 147 147 50744 1 . ASN 148 148 50744 1 . ALA 149 149 50744 1 . GLN 150 150 50744 1 . ASP 151 151 50744 1 . PHE 152 152 50744 1 . TYR 153 153 50744 1 . ASP 154 154 50744 1 . TRP 155 155 50744 1 . LEU 156 156 50744 1 . GLN 157 157 50744 1 . GLU 158 158 50744 1 . THR 159 159 50744 1 . ASP 160 160 50744 1 . VAL 161 161 50744 1 . ASP 162 162 50744 1 . LEU 163 163 50744 1 . THR 164 164 50744 1 . GLY 165 165 50744 1 . VAL 166 166 50744 1 . LYS 167 167 50744 1 . PHE 168 168 50744 1 . ALA 169 169 50744 1 . VAL 170 170 50744 1 . PHE 171 171 50744 1 . GLY 172 172 50744 1 . LEU 173 173 50744 1 . GLY 174 174 50744 1 . ASN 175 175 50744 1 . LYS 176 176 50744 1 . THR 177 177 50744 1 . TYR 178 178 50744 1 . GLU 179 179 50744 1 . HIS 180 180 50744 1 . PHE 181 181 50744 1 . ASN 182 182 50744 1 . ALA 183 183 50744 1 . MET 184 184 50744 1 . GLY 185 185 50744 1 . LYS 186 186 50744 1 . TYR 187 187 50744 1 . VAL 188 188 50744 1 . ASP 189 189 50744 1 . GLN 190 190 50744 1 . ARG 191 191 50744 1 . LEU 192 192 50744 1 . GLU 193 193 50744 1 . GLN 194 194 50744 1 . LEU 195 195 50744 1 . GLY 196 196 50744 1 . ALA 197 197 50744 1 . GLN 198 198 50744 1 . ARG 199 199 50744 1 . ILE 200 200 50744 1 . PHE 201 201 50744 1 . GLU 202 202 50744 1 . LEU 203 203 50744 1 . GLY 204 204 50744 1 . LEU 205 205 50744 1 . GLY 206 206 50744 1 . ASP 207 207 50744 1 . ASP 208 208 50744 1 . ASP 209 209 50744 1 . GLY 210 210 50744 1 . ASN 211 211 50744 1 . LEU 212 212 50744 1 . GLU 213 213 50744 1 . GLU 214 214 50744 1 . ASP 215 215 50744 1 . PHE 216 216 50744 1 . ILE 217 217 50744 1 . THR 218 218 50744 1 . TRP 219 219 50744 1 . ARG 220 220 50744 1 . GLU 221 221 50744 1 . GLN 222 222 50744 1 . PHE 223 223 50744 1 . TRP 224 224 50744 1 . PRO 225 225 50744 1 . ALA 226 226 50744 1 . VAL 227 227 50744 1 . CYS 228 228 50744 1 . GLU 229 229 50744 1 . PHE 230 230 50744 1 . PHE 231 231 50744 1 . GLY 232 232 50744 1 . VAL 233 233 50744 1 . GLU 234 234 50744 1 . ALA 235 235 50744 1 . THR 236 236 50744 1 . GLY 237 237 50744 1 . GLU 238 238 50744 1 . GLU 239 239 50744 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50744 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 50744 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50744 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli C41 . . plasmid . . pSC . . . 50744 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50744 _Sample.ID 1 _Sample.Name 'rat full-length FBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'rat full-length FBD' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 50744 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50744 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'rat full-length FBD' _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 pH 7.4 . pH 50744 1 pressure 1 . atm 50744 1 temperature 298 . K 50744 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50744 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50744 1 processing . 50744 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50744 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50744 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50744 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50744 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50744 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50744 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50744 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50744 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50744 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50744 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50744 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50744 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name H2O _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 water protons . . . . ppm 4.7 internal indirect . . . . . . 50744 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50744 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 50744 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50744 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name flfbd _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 50744 1 4 '3D HNCA' . . . 50744 1 5 '3D HNCACB' . . . 50744 1 6 '3D CBCA(CO)NH' . . . 50744 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 2 $software_2 . . 50744 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET CA C 13 55.204 0.000 . 1 . . . . . 1 MET CA . 50744 1 2 . 1 . 1 1 1 MET CB C 13 31.950 0.000 . 1 . . . . . 1 MET CB . 50744 1 3 . 1 . 1 2 2 GLY H H 1 8.261 0.001 . 1 . . . . . 2 GLY H . 50744 1 4 . 1 . 1 2 2 GLY CA C 13 44.790 0.002 . 1 . . . . . 2 GLY CA . 50744 1 5 . 1 . 1 2 2 GLY N N 15 110.026 0.010 . 1 . . . . . 2 GLY N . 50744 1 6 . 1 . 1 3 3 ASP H H 1 8.076 0.001 . 1 . . . . . 3 ASP H . 50744 1 7 . 1 . 1 3 3 ASP CA C 13 53.819 0.000 . 1 . . . . . 3 ASP CA . 50744 1 8 . 1 . 1 3 3 ASP CB C 13 40.832 0.000 . 1 . . . . . 3 ASP CB . 50744 1 9 . 1 . 1 3 3 ASP N N 15 120.878 0.012 . 1 . . . . . 3 ASP N . 50744 1 10 . 1 . 1 5 5 HIS CA C 13 55.562 0.000 . 1 . . . . . 5 HIS CA . 50744 1 11 . 1 . 1 5 5 HIS CB C 13 29.316 0.000 . 1 . . . . . 5 HIS CB . 50744 1 12 . 1 . 1 6 6 GLU H H 1 8.219 0.000 . 1 . . . . . 6 GLU H . 50744 1 13 . 1 . 1 6 6 GLU CA C 13 56.056 0.012 . 1 . . . . . 6 GLU CA . 50744 1 14 . 1 . 1 6 6 GLU CB C 13 29.874 0.050 . 1 . . . . . 6 GLU CB . 50744 1 15 . 1 . 1 6 6 GLU N N 15 122.546 0.005 . 1 . . . . . 6 GLU N . 50744 1 16 . 1 . 1 7 7 ASP H H 1 8.304 0.000 . 1 . . . . . 7 ASP H . 50744 1 17 . 1 . 1 7 7 ASP CA C 13 53.908 0.000 . 1 . . . . . 7 ASP CA . 50744 1 18 . 1 . 1 7 7 ASP CB C 13 40.568 0.000 . 1 . . . . . 7 ASP CB . 50744 1 19 . 1 . 1 7 7 ASP N N 15 122.264 0.011 . 1 . . . . . 7 ASP N . 50744 1 20 . 1 . 1 8 8 THR H H 1 8.107 0.000 . 1 . . . . . 8 THR H . 50744 1 21 . 1 . 1 8 8 THR CA C 13 61.520 0.005 . 1 . . . . . 8 THR CA . 50744 1 22 . 1 . 1 8 8 THR CB C 13 69.077 0.014 . 1 . . . . . 8 THR CB . 50744 1 23 . 1 . 1 8 8 THR N N 15 115.741 0.002 . 1 . . . . . 8 THR N . 50744 1 24 . 1 . 1 9 9 SER H H 1 8.248 0.000 . 1 . . . . . 9 SER H . 50744 1 25 . 1 . 1 9 9 SER CA C 13 58.612 0.009 . 1 . . . . . 9 SER CA . 50744 1 26 . 1 . 1 9 9 SER CB C 13 63.329 0.000 . 1 . . . . . 9 SER CB . 50744 1 27 . 1 . 1 9 9 SER N N 15 118.887 0.002 . 1 . . . . . 9 SER N . 50744 1 28 . 1 . 1 10 10 ALA H H 1 8.070 0.001 . 1 . . . . . 10 ALA H . 50744 1 29 . 1 . 1 10 10 ALA CA C 13 52.107 0.009 . 1 . . . . . 10 ALA CA . 50744 1 30 . 1 . 1 10 10 ALA CB C 13 18.736 0.009 . 1 . . . . . 10 ALA CB . 50744 1 31 . 1 . 1 10 10 ALA N N 15 125.978 0.010 . 1 . . . . . 10 ALA N . 50744 1 32 . 1 . 1 11 11 THR H H 1 7.899 0.000 . 1 . . . . . 11 THR H . 50744 1 33 . 1 . 1 11 11 THR CA C 13 61.467 0.023 . 1 . . . . . 11 THR CA . 50744 1 34 . 1 . 1 11 11 THR CB C 13 69.407 0.012 . 1 . . . . . 11 THR CB . 50744 1 35 . 1 . 1 11 11 THR N N 15 113.859 0.007 . 1 . . . . . 11 THR N . 50744 1 36 . 1 . 1 12 12 MET H H 1 8.231 0.000 . 1 . . . . . 12 MET H . 50744 1 37 . 1 . 1 12 12 MET CA C 13 52.726 0.000 . 1 . . . . . 12 MET CA . 50744 1 38 . 1 . 1 12 12 MET CB C 13 31.913 0.000 . 1 . . . . . 12 MET CB . 50744 1 39 . 1 . 1 12 12 MET N N 15 124.861 0.001 . 1 . . . . . 12 MET N . 50744 1 40 . 1 . 1 13 13 PRO CA C 13 62.672 0.000 . 1 . . . . . 13 PRO CA . 50744 1 41 . 1 . 1 13 13 PRO CB C 13 31.671 0.000 . 1 . . . . . 13 PRO CB . 50744 1 42 . 1 . 1 14 14 GLU H H 1 8.314 0.000 . 1 . . . . . 14 GLU H . 50744 1 43 . 1 . 1 14 14 GLU CA C 13 56.093 0.030 . 1 . . . . . 14 GLU CA . 50744 1 44 . 1 . 1 14 14 GLU CB C 13 29.703 0.037 . 1 . . . . . 14 GLU CB . 50744 1 45 . 1 . 1 14 14 GLU N N 15 121.567 0.014 . 1 . . . . . 14 GLU N . 50744 1 46 . 1 . 1 15 15 ALA H H 1 8.175 0.002 . 1 . . . . . 15 ALA H . 50744 1 47 . 1 . 1 15 15 ALA CA C 13 51.858 0.015 . 1 . . . . . 15 ALA CA . 50744 1 48 . 1 . 1 15 15 ALA CB C 13 18.774 0.011 . 1 . . . . . 15 ALA CB . 50744 1 49 . 1 . 1 15 15 ALA N N 15 126.059 0.006 . 1 . . . . . 15 ALA N . 50744 1 50 . 1 . 1 16 16 VAL H H 1 7.965 0.000 . 1 . . . . . 16 VAL H . 50744 1 51 . 1 . 1 16 16 VAL CA C 13 61.445 0.035 . 1 . . . . . 16 VAL CA . 50744 1 52 . 1 . 1 16 16 VAL CB C 13 32.208 0.007 . 1 . . . . . 16 VAL CB . 50744 1 53 . 1 . 1 16 16 VAL N N 15 120.662 0.008 . 1 . . . . . 16 VAL N . 50744 1 54 . 1 . 1 17 17 ALA H H 1 8.242 0.000 . 1 . . . . . 17 ALA H . 50744 1 55 . 1 . 1 17 17 ALA CA C 13 52.017 0.009 . 1 . . . . . 17 ALA CA . 50744 1 56 . 1 . 1 17 17 ALA CB C 13 18.793 0.028 . 1 . . . . . 17 ALA CB . 50744 1 57 . 1 . 1 17 17 ALA N N 15 128.971 0.013 . 1 . . . . . 17 ALA N . 50744 1 58 . 1 . 1 18 18 GLU H H 1 8.208 0.000 . 1 . . . . . 18 GLU H . 50744 1 59 . 1 . 1 18 18 GLU CA C 13 55.833 0.000 . 1 . . . . . 18 GLU CA . 50744 1 60 . 1 . 1 18 18 GLU CB C 13 29.776 0.000 . 1 . . . . . 18 GLU CB . 50744 1 61 . 1 . 1 18 18 GLU N N 15 121.313 0.010 . 1 . . . . . 18 GLU N . 50744 1 62 . 1 . 1 52 52 PRO CA C 13 62.696 0.000 . 1 . . . . . 52 PRO CA . 50744 1 63 . 1 . 1 52 52 PRO CB C 13 31.580 0.000 . 1 . . . . . 52 PRO CB . 50744 1 64 . 1 . 1 53 53 GLU H H 1 8.349 0.000 . 1 . . . . . 53 GLU H . 50744 1 65 . 1 . 1 53 53 GLU CA C 13 55.968 0.100 . 1 . . . . . 53 GLU CA . 50744 1 66 . 1 . 1 53 53 GLU CB C 13 29.746 0.020 . 1 . . . . . 53 GLU CB . 50744 1 67 . 1 . 1 53 53 GLU N N 15 121.675 0.001 . 1 . . . . . 53 GLU N . 50744 1 68 . 1 . 1 54 54 PHE H H 1 8.380 0.001 . 1 . . . . . 54 PHE H . 50744 1 69 . 1 . 1 54 54 PHE CA C 13 53.872 0.000 . 1 . . . . . 54 PHE CA . 50744 1 70 . 1 . 1 54 54 PHE CB C 13 40.671 0.057 . 1 . . . . . 54 PHE CB . 50744 1 71 . 1 . 1 54 54 PHE N N 15 122.580 0.017 . 1 . . . . . 54 PHE N . 50744 1 72 . 1 . 1 55 55 SER H H 1 8.122 0.001 . 1 . . . . . 55 SER H . 50744 1 73 . 1 . 1 55 55 SER CA C 13 57.919 0.037 . 1 . . . . . 55 SER CA . 50744 1 74 . 1 . 1 55 55 SER CB C 13 63.417 0.039 . 1 . . . . . 55 SER CB . 50744 1 75 . 1 . 1 55 55 SER N N 15 116.427 0.013 . 1 . . . . . 55 SER N . 50744 1 76 . 1 . 1 56 56 LYS H H 1 8.029 0.000 . 1 . . . . . 56 LYS H . 50744 1 77 . 1 . 1 56 56 LYS CA C 13 55.888 0.003 . 1 . . . . . 56 LYS CA . 50744 1 78 . 1 . 1 56 56 LYS CB C 13 32.396 0.079 . 1 . . . . . 56 LYS CB . 50744 1 79 . 1 . 1 56 56 LYS N N 15 123.632 0.012 . 1 . . . . . 56 LYS N . 50744 1 80 . 1 . 1 57 57 ILE H H 1 7.912 0.000 . 1 . . . . . 57 ILE H . 50744 1 81 . 1 . 1 57 57 ILE CA C 13 60.770 0.011 . 1 . . . . . 57 ILE CA . 50744 1 82 . 1 . 1 57 57 ILE CB C 13 37.982 0.009 . 1 . . . . . 57 ILE CB . 50744 1 83 . 1 . 1 57 57 ILE N N 15 122.384 0.014 . 1 . . . . . 57 ILE N . 50744 1 84 . 1 . 1 58 58 GLN H H 1 8.329 0.000 . 1 . . . . . 58 GLN H . 50744 1 85 . 1 . 1 58 58 GLN CA C 13 55.100 0.011 . 1 . . . . . 58 GLN CA . 50744 1 86 . 1 . 1 58 58 GLN CB C 13 29.118 0.042 . 1 . . . . . 58 GLN CB . 50744 1 87 . 1 . 1 58 58 GLN N N 15 125.478 0.008 . 1 . . . . . 58 GLN N . 50744 1 88 . 1 . 1 59 59 THR H H 1 8.145 0.000 . 1 . . . . . 59 THR H . 50744 1 89 . 1 . 1 59 59 THR CA C 13 61.308 0.020 . 1 . . . . . 59 THR CA . 50744 1 90 . 1 . 1 59 59 THR CB C 13 69.303 0.059 . 1 . . . . . 59 THR CB . 50744 1 91 . 1 . 1 59 59 THR N N 15 116.911 0.012 . 1 . . . . . 59 THR N . 50744 1 92 . 1 . 1 60 60 THR H H 1 8.032 0.000 . 1 . . . . . 60 THR H . 50744 1 93 . 1 . 1 60 60 THR CA C 13 61.489 0.036 . 1 . . . . . 60 THR CA . 50744 1 94 . 1 . 1 60 60 THR CB C 13 69.495 0.046 . 1 . . . . . 60 THR CB . 50744 1 95 . 1 . 1 60 60 THR N N 15 117.420 0.001 . 1 . . . . . 60 THR N . 50744 1 96 . 1 . 1 61 61 ALA H H 1 8.303 0.001 . 1 . . . . . 61 ALA H . 50744 1 97 . 1 . 1 61 61 ALA CA C 13 50.018 0.000 . 1 . . . . . 61 ALA CA . 50744 1 98 . 1 . 1 61 61 ALA CB C 13 17.677 0.000 . 1 . . . . . 61 ALA CB . 50744 1 99 . 1 . 1 61 61 ALA N N 15 129.279 0.013 . 1 . . . . . 61 ALA N . 50744 1 100 . 1 . 1 64 64 VAL CA C 13 61.603 0.000 . 1 . . . . . 64 VAL CA . 50744 1 101 . 1 . 1 64 64 VAL CB C 13 32.122 0.000 . 1 . . . . . 64 VAL CB . 50744 1 102 . 1 . 1 65 65 LYS H H 1 8.300 0.000 . 1 . . . . . 65 LYS H . 50744 1 103 . 1 . 1 65 65 LYS CA C 13 55.556 0.000 . 1 . . . . . 65 LYS CA . 50744 1 104 . 1 . 1 65 65 LYS CB C 13 32.579 0.023 . 1 . . . . . 65 LYS CB . 50744 1 105 . 1 . 1 65 65 LYS N N 15 126.076 0.002 . 1 . . . . . 65 LYS N . 50744 1 106 . 1 . 1 66 66 GLU H H 1 8.413 0.001 . 1 . . . . . 66 GLU H . 50744 1 107 . 1 . 1 66 66 GLU CA C 13 56.569 0.000 . 1 . . . . . 66 GLU CA . 50744 1 108 . 1 . 1 66 66 GLU CB C 13 29.640 0.002 . 1 . . . . . 66 GLU CB . 50744 1 109 . 1 . 1 66 66 GLU N N 15 123.092 0.006 . 1 . . . . . 66 GLU N . 50744 1 110 . 1 . 1 67 67 SER H H 1 7.997 0.001 . 1 . . . . . 67 SER H . 50744 1 111 . 1 . 1 67 67 SER CA C 13 58.228 0.000 . 1 . . . . . 67 SER CA . 50744 1 112 . 1 . 1 67 67 SER CB C 13 63.528 0.000 . 1 . . . . . 67 SER CB . 50744 1 113 . 1 . 1 67 67 SER N N 15 114.896 0.012 . 1 . . . . . 67 SER N . 50744 1 114 . 1 . 1 68 68 SER H H 1 8.027 0.000 . 1 . . . . . 68 SER H . 50744 1 115 . 1 . 1 68 68 SER CA C 13 56.216 0.000 . 1 . . . . . 68 SER CA . 50744 1 116 . 1 . 1 68 68 SER CB C 13 63.595 0.000 . 1 . . . . . 68 SER CB . 50744 1 117 . 1 . 1 68 68 SER N N 15 115.656 0.025 . 1 . . . . . 68 SER N . 50744 1 118 . 1 . 1 69 69 PHE H H 1 7.841 0.004 . 1 . . . . . 69 PHE H . 50744 1 119 . 1 . 1 69 69 PHE CA C 13 59.024 0.020 . 1 . . . . . 69 PHE CA . 50744 1 120 . 1 . 1 69 69 PHE CB C 13 34.990 0.005 . 1 . . . . . 69 PHE CB . 50744 1 121 . 1 . 1 69 69 PHE N N 15 125.085 0.019 . 1 . . . . . 69 PHE N . 50744 1 122 . 1 . 1 70 70 VAL H H 1 6.905 0.001 . 1 . . . . . 70 VAL H . 50744 1 123 . 1 . 1 70 70 VAL CA C 13 65.800 0.046 . 1 . . . . . 70 VAL CA . 50744 1 124 . 1 . 1 70 70 VAL CB C 13 30.725 0.059 . 1 . . . . . 70 VAL CB . 50744 1 125 . 1 . 1 70 70 VAL N N 15 124.699 0.014 . 1 . . . . . 70 VAL N . 50744 1 126 . 1 . 1 71 71 GLU H H 1 7.106 0.003 . 1 . . . . . 71 GLU H . 50744 1 127 . 1 . 1 71 71 GLU CA C 13 58.358 0.000 . 1 . . . . . 71 GLU CA . 50744 1 128 . 1 . 1 71 71 GLU CB C 13 28.584 0.035 . 1 . . . . . 71 GLU CB . 50744 1 129 . 1 . 1 71 71 GLU N N 15 120.084 0.004 . 1 . . . . . 71 GLU N . 50744 1 130 . 1 . 1 72 72 LYS H H 1 7.434 0.000 . 1 . . . . . 72 LYS H . 50744 1 131 . 1 . 1 72 72 LYS CA C 13 59.234 0.000 . 1 . . . . . 72 LYS CA . 50744 1 132 . 1 . 1 72 72 LYS CB C 13 31.634 0.000 . 1 . . . . . 72 LYS CB . 50744 1 133 . 1 . 1 72 72 LYS N N 15 119.409 0.017 . 1 . . . . . 72 LYS N . 50744 1 134 . 1 . 1 73 73 MET H H 1 8.246 0.001 . 1 . . . . . 73 MET H . 50744 1 135 . 1 . 1 73 73 MET CA C 13 59.795 0.000 . 1 . . . . . 73 MET CA . 50744 1 136 . 1 . 1 73 73 MET CB C 13 33.512 0.000 . 1 . . . . . 73 MET CB . 50744 1 137 . 1 . 1 73 73 MET N N 15 121.583 0.019 . 1 . . . . . 73 MET N . 50744 1 138 . 1 . 1 74 74 LYS H H 1 8.195 0.001 . 1 . . . . . 74 LYS H . 50744 1 139 . 1 . 1 74 74 LYS CA C 13 59.809 0.009 . 1 . . . . . 74 LYS CA . 50744 1 140 . 1 . 1 74 74 LYS CB C 13 32.579 0.000 . 1 . . . . . 74 LYS CB . 50744 1 141 . 1 . 1 74 74 LYS N N 15 119.277 0.007 . 1 . . . . . 74 LYS N . 50744 1 142 . 1 . 1 75 75 LYS H H 1 7.963 0.001 . 1 . . . . . 75 LYS H . 50744 1 143 . 1 . 1 75 75 LYS CA C 13 58.186 0.018 . 1 . . . . . 75 LYS CA . 50744 1 144 . 1 . 1 75 75 LYS CB C 13 32.584 0.018 . 1 . . . . . 75 LYS CB . 50744 1 145 . 1 . 1 75 75 LYS N N 15 117.880 0.012 . 1 . . . . . 75 LYS N . 50744 1 146 . 1 . 1 76 76 THR H H 1 7.389 0.001 . 1 . . . . . 76 THR H . 50744 1 147 . 1 . 1 76 76 THR CA C 13 60.481 0.008 . 1 . . . . . 76 THR CA . 50744 1 148 . 1 . 1 76 76 THR CB C 13 69.730 0.000 . 1 . . . . . 76 THR CB . 50744 1 149 . 1 . 1 76 76 THR N N 15 105.170 0.014 . 1 . . . . . 76 THR N . 50744 1 150 . 1 . 1 77 77 GLY H H 1 7.453 0.001 . 1 . . . . . 77 GLY H . 50744 1 151 . 1 . 1 77 77 GLY CA C 13 46.747 0.029 . 1 . . . . . 77 GLY CA . 50744 1 152 . 1 . 1 77 77 GLY N N 15 112.772 0.008 . 1 . . . . . 77 GLY N . 50744 1 153 . 1 . 1 78 78 ARG H H 1 8.282 0.001 . 1 . . . . . 78 ARG H . 50744 1 154 . 1 . 1 78 78 ARG CA C 13 54.943 0.002 . 1 . . . . . 78 ARG CA . 50744 1 155 . 1 . 1 78 78 ARG CB C 13 32.462 0.007 . 1 . . . . . 78 ARG CB . 50744 1 156 . 1 . 1 78 78 ARG N N 15 119.212 0.014 . 1 . . . . . 78 ARG N . 50744 1 157 . 1 . 1 79 79 ASN H H 1 8.598 0.000 . 1 . . . . . 79 ASN H . 50744 1 158 . 1 . 1 79 79 ASN CA C 13 52.829 0.002 . 1 . . . . . 79 ASN CA . 50744 1 159 . 1 . 1 79 79 ASN CB C 13 38.922 0.001 . 1 . . . . . 79 ASN CB . 50744 1 160 . 1 . 1 79 79 ASN N N 15 115.891 0.013 . 1 . . . . . 79 ASN N . 50744 1 161 . 1 . 1 80 80 ILE H H 1 7.571 0.000 . 1 . . . . . 80 ILE H . 50744 1 162 . 1 . 1 80 80 ILE CA C 13 58.886 0.002 . 1 . . . . . 80 ILE CA . 50744 1 163 . 1 . 1 80 80 ILE CB C 13 40.237 0.000 . 1 . . . . . 80 ILE CB . 50744 1 164 . 1 . 1 80 80 ILE N N 15 119.606 0.007 . 1 . . . . . 80 ILE N . 50744 1 165 . 1 . 1 81 81 ILE H H 1 8.087 0.001 . 1 . . . . . 81 ILE H . 50744 1 166 . 1 . 1 81 81 ILE CA C 13 56.885 0.015 . 1 . . . . . 81 ILE CA . 50744 1 167 . 1 . 1 81 81 ILE CB C 13 40.210 0.034 . 1 . . . . . 81 ILE CB . 50744 1 168 . 1 . 1 81 81 ILE N N 15 126.503 0.005 . 1 . . . . . 81 ILE N . 50744 1 169 . 1 . 1 82 82 VAL H H 1 8.248 0.000 . 1 . . . . . 82 VAL H . 50744 1 170 . 1 . 1 82 82 VAL CA C 13 58.279 0.008 . 1 . . . . . 82 VAL CA . 50744 1 171 . 1 . 1 82 82 VAL CB C 13 31.835 0.029 . 1 . . . . . 82 VAL CB . 50744 1 172 . 1 . 1 82 82 VAL N N 15 126.888 0.017 . 1 . . . . . 82 VAL N . 50744 1 173 . 1 . 1 83 83 PHE H H 1 8.598 0.001 . 1 . . . . . 83 PHE H . 50744 1 174 . 1 . 1 83 83 PHE CA C 13 56.197 0.026 . 1 . . . . . 83 PHE CA . 50744 1 175 . 1 . 1 83 83 PHE CB C 13 41.686 0.011 . 1 . . . . . 83 PHE CB . 50744 1 176 . 1 . 1 83 83 PHE N N 15 124.516 0.004 . 1 . . . . . 83 PHE N . 50744 1 177 . 1 . 1 84 84 TYR H H 1 7.226 0.001 . 1 . . . . . 84 TYR H . 50744 1 178 . 1 . 1 84 84 TYR CA C 13 52.117 0.017 . 1 . . . . . 84 TYR CA . 50744 1 179 . 1 . 1 84 84 TYR CB C 13 39.907 0.021 . 1 . . . . . 84 TYR CB . 50744 1 180 . 1 . 1 84 84 TYR N N 15 115.016 0.014 . 1 . . . . . 84 TYR N . 50744 1 181 . 1 . 1 85 85 GLY H H 1 8.891 0.000 . 1 . . . . . 85 GLY H . 50744 1 182 . 1 . 1 85 85 GLY CA C 13 45.955 0.031 . 1 . . . . . 85 GLY CA . 50744 1 183 . 1 . 1 85 85 GLY N N 15 111.947 0.005 . 1 . . . . . 85 GLY N . 50744 1 184 . 1 . 1 86 86 SER H H 1 7.711 0.000 . 1 . . . . . 86 SER H . 50744 1 185 . 1 . 1 86 86 SER CA C 13 55.870 0.032 . 1 . . . . . 86 SER CA . 50744 1 186 . 1 . 1 86 86 SER CB C 13 68.850 0.034 . 1 . . . . . 86 SER CB . 50744 1 187 . 1 . 1 86 86 SER N N 15 116.087 0.009 . 1 . . . . . 86 SER N . 50744 1 188 . 1 . 1 87 87 GLN H H 1 10.909 0.001 . 1 . . . . . 87 GLN H . 50744 1 189 . 1 . 1 87 87 GLN CA C 13 56.745 0.000 . 1 . . . . . 87 GLN CA . 50744 1 190 . 1 . 1 87 87 GLN CB C 13 29.519 0.000 . 1 . . . . . 87 GLN CB . 50744 1 191 . 1 . 1 87 87 GLN N N 15 133.569 0.004 . 1 . . . . . 87 GLN N . 50744 1 192 . 1 . 1 88 88 THR H H 1 9.551 0.001 . 1 . . . . . 88 THR H . 50744 1 193 . 1 . 1 88 88 THR CA C 13 59.859 0.004 . 1 . . . . . 88 THR CA . 50744 1 194 . 1 . 1 88 88 THR CB C 13 67.560 0.000 . 1 . . . . . 88 THR CB . 50744 1 195 . 1 . 1 88 88 THR N N 15 110.272 0.007 . 1 . . . . . 88 THR N . 50744 1 196 . 1 . 1 89 89 GLY H H 1 7.483 0.001 . 1 . . . . . 89 GLY H . 50744 1 197 . 1 . 1 89 89 GLY CA C 13 46.049 0.006 . 1 . . . . . 89 GLY CA . 50744 1 198 . 1 . 1 89 89 GLY N N 15 109.416 0.004 . 1 . . . . . 89 GLY N . 50744 1 199 . 1 . 1 90 90 THR H H 1 9.642 0.001 . 1 . . . . . 90 THR H . 50744 1 200 . 1 . 1 90 90 THR CA C 13 66.933 0.000 . 1 . . . . . 90 THR CA . 50744 1 201 . 1 . 1 90 90 THR CB C 13 65.828 0.000 . 1 . . . . . 90 THR CB . 50744 1 202 . 1 . 1 90 90 THR N N 15 127.126 0.008 . 1 . . . . . 90 THR N . 50744 1 203 . 1 . 1 91 91 ALA H H 1 10.613 0.010 . 1 . . . . . 91 ALA H . 50744 1 204 . 1 . 1 91 91 ALA CA C 13 54.438 0.010 . 1 . . . . . 91 ALA CA . 50744 1 205 . 1 . 1 91 91 ALA CB C 13 18.070 0.000 . 1 . . . . . 91 ALA CB . 50744 1 206 . 1 . 1 91 91 ALA N N 15 125.450 0.004 . 1 . . . . . 91 ALA N . 50744 1 207 . 1 . 1 92 92 GLU H H 1 6.338 0.001 . 1 . . . . . 92 GLU H . 50744 1 208 . 1 . 1 92 92 GLU CA C 13 58.370 0.005 . 1 . . . . . 92 GLU CA . 50744 1 209 . 1 . 1 92 92 GLU CB C 13 28.634 0.014 . 1 . . . . . 92 GLU CB . 50744 1 210 . 1 . 1 92 92 GLU N N 15 115.330 0.000 . 1 . . . . . 92 GLU N . 50744 1 211 . 1 . 1 93 93 GLU H H 1 7.478 0.000 . 1 . . . . . 93 GLU H . 50744 1 212 . 1 . 1 93 93 GLU CA C 13 59.303 0.000 . 1 . . . . . 93 GLU CA . 50744 1 213 . 1 . 1 93 93 GLU CB C 13 27.357 0.005 . 1 . . . . . 93 GLU CB . 50744 1 214 . 1 . 1 93 93 GLU N N 15 121.920 0.006 . 1 . . . . . 93 GLU N . 50744 1 215 . 1 . 1 94 94 PHE H H 1 8.019 0.001 . 1 . . . . . 94 PHE H . 50744 1 216 . 1 . 1 94 94 PHE CA C 13 57.068 0.005 . 1 . . . . . 94 PHE CA . 50744 1 217 . 1 . 1 94 94 PHE CB C 13 35.798 0.036 . 1 . . . . . 94 PHE CB . 50744 1 218 . 1 . 1 94 94 PHE N N 15 119.752 0.005 . 1 . . . . . 94 PHE N . 50744 1 219 . 1 . 1 95 95 ALA H H 1 8.235 0.001 . 1 . . . . . 95 ALA H . 50744 1 220 . 1 . 1 95 95 ALA CA C 13 54.883 0.099 . 1 . . . . . 95 ALA CA . 50744 1 221 . 1 . 1 95 95 ALA CB C 13 19.194 0.000 . 1 . . . . . 95 ALA CB . 50744 1 222 . 1 . 1 95 95 ALA N N 15 122.170 0.006 . 1 . . . . . 95 ALA N . 50744 1 223 . 1 . 1 96 96 ASN H H 1 8.157 0.000 . 1 . . . . . 96 ASN H . 50744 1 224 . 1 . 1 96 96 ASN CA C 13 55.845 0.016 . 1 . . . . . 96 ASN CA . 50744 1 225 . 1 . 1 96 96 ASN CB C 13 37.962 0.006 . 1 . . . . . 96 ASN CB . 50744 1 226 . 1 . 1 96 96 ASN N N 15 118.473 0.004 . 1 . . . . . 96 ASN N . 50744 1 227 . 1 . 1 97 97 ARG H H 1 8.484 0.000 . 1 . . . . . 97 ARG H . 50744 1 228 . 1 . 1 97 97 ARG CA C 13 59.764 0.007 . 1 . . . . . 97 ARG CA . 50744 1 229 . 1 . 1 97 97 ARG CB C 13 30.320 0.004 . 1 . . . . . 97 ARG CB . 50744 1 230 . 1 . 1 97 97 ARG N N 15 122.737 0.006 . 1 . . . . . 97 ARG N . 50744 1 231 . 1 . 1 98 98 LEU H H 1 8.340 0.000 . 1 . . . . . 98 LEU H . 50744 1 232 . 1 . 1 98 98 LEU CA C 13 57.345 0.029 . 1 . . . . . 98 LEU CA . 50744 1 233 . 1 . 1 98 98 LEU CB C 13 42.701 0.005 . 1 . . . . . 98 LEU CB . 50744 1 234 . 1 . 1 98 98 LEU N N 15 118.569 0.011 . 1 . . . . . 98 LEU N . 50744 1 235 . 1 . 1 99 99 SER H H 1 8.209 0.000 . 1 . . . . . 99 SER H . 50744 1 236 . 1 . 1 99 99 SER CA C 13 62.303 0.002 . 1 . . . . . 99 SER CA . 50744 1 237 . 1 . 1 99 99 SER CB C 13 62.254 0.000 . 1 . . . . . 99 SER CB . 50744 1 238 . 1 . 1 99 99 SER N N 15 112.322 0.001 . 1 . . . . . 99 SER N . 50744 1 239 . 1 . 1 100 100 LYS H H 1 7.601 0.000 . 1 . . . . . 100 LYS H . 50744 1 240 . 1 . 1 100 100 LYS CA C 13 58.383 0.033 . 1 . . . . . 100 LYS CA . 50744 1 241 . 1 . 1 100 100 LYS CB C 13 31.843 0.019 . 1 . . . . . 100 LYS CB . 50744 1 242 . 1 . 1 100 100 LYS N N 15 121.546 0.019 . 1 . . . . . 100 LYS N . 50744 1 243 . 1 . 1 101 101 ASP H H 1 8.132 0.001 . 1 . . . . . 101 ASP H . 50744 1 244 . 1 . 1 101 101 ASP CA C 13 55.985 0.004 . 1 . . . . . 101 ASP CA . 50744 1 245 . 1 . 1 101 101 ASP CB C 13 41.819 0.069 . 1 . . . . . 101 ASP CB . 50744 1 246 . 1 . 1 101 101 ASP N N 15 121.438 0.021 . 1 . . . . . 101 ASP N . 50744 1 247 . 1 . 1 102 102 ALA H H 1 6.810 0.001 . 1 . . . . . 102 ALA H . 50744 1 248 . 1 . 1 102 102 ALA CA C 13 54.919 0.002 . 1 . . . . . 102 ALA CA . 50744 1 249 . 1 . 1 102 102 ALA CB C 13 17.938 0.014 . 1 . . . . . 102 ALA CB . 50744 1 250 . 1 . 1 102 102 ALA N N 15 117.418 0.005 . 1 . . . . . 102 ALA N . 50744 1 251 . 1 . 1 103 103 HIS H H 1 7.142 0.000 . 1 . . . . . 103 HIS H . 50744 1 252 . 1 . 1 103 103 HIS CA C 13 58.036 0.014 . 1 . . . . . 103 HIS CA . 50744 1 253 . 1 . 1 103 103 HIS CB C 13 29.358 0.029 . 1 . . . . . 103 HIS CB . 50744 1 254 . 1 . 1 103 103 HIS N N 15 114.948 0.019 . 1 . . . . . 103 HIS N . 50744 1 255 . 1 . 1 104 104 ARG H H 1 7.425 0.000 . 1 . . . . . 104 ARG H . 50744 1 256 . 1 . 1 104 104 ARG CA C 13 57.335 0.010 . 1 . . . . . 104 ARG CA . 50744 1 257 . 1 . 1 104 104 ARG CB C 13 28.345 0.038 . 1 . . . . . 104 ARG CB . 50744 1 258 . 1 . 1 104 104 ARG N N 15 119.776 0.016 . 1 . . . . . 104 ARG N . 50744 1 259 . 1 . 1 105 105 TYR H H 1 6.843 0.000 . 1 . . . . . 105 TYR H . 50744 1 260 . 1 . 1 105 105 TYR CA C 13 56.155 0.024 . 1 . . . . . 105 TYR CA . 50744 1 261 . 1 . 1 105 105 TYR CB C 13 37.839 0.039 . 1 . . . . . 105 TYR CB . 50744 1 262 . 1 . 1 105 105 TYR N N 15 117.021 0.019 . 1 . . . . . 105 TYR N . 50744 1 263 . 1 . 1 106 106 GLY H H 1 7.176 0.003 . 1 . . . . . 106 GLY H . 50744 1 264 . 1 . 1 106 106 GLY CA C 13 45.366 0.039 . 1 . . . . . 106 GLY CA . 50744 1 265 . 1 . 1 106 106 GLY N N 15 104.678 0.016 . 1 . . . . . 106 GLY N . 50744 1 266 . 1 . 1 107 107 MET H H 1 7.240 0.000 . 1 . . . . . 107 MET H . 50744 1 267 . 1 . 1 107 107 MET CA C 13 53.869 0.020 . 1 . . . . . 107 MET CA . 50744 1 268 . 1 . 1 107 107 MET CB C 13 35.047 0.006 . 1 . . . . . 107 MET CB . 50744 1 269 . 1 . 1 107 107 MET N N 15 118.359 0.006 . 1 . . . . . 107 MET N . 50744 1 270 . 1 . 1 108 108 ARG H H 1 7.927 0.001 . 1 . . . . . 108 ARG H . 50744 1 271 . 1 . 1 108 108 ARG CA C 13 55.657 0.000 . 1 . . . . . 108 ARG CA . 50744 1 272 . 1 . 1 108 108 ARG CB C 13 33.518 0.021 . 1 . . . . . 108 ARG CB . 50744 1 273 . 1 . 1 108 108 ARG N N 15 117.556 0.013 . 1 . . . . . 108 ARG N . 50744 1 274 . 1 . 1 109 109 GLY H H 1 8.950 0.001 . 1 . . . . . 109 GLY H . 50744 1 275 . 1 . 1 109 109 GLY CA C 13 43.605 0.042 . 1 . . . . . 109 GLY CA . 50744 1 276 . 1 . 1 109 109 GLY N N 15 112.799 0.004 . 1 . . . . . 109 GLY N . 50744 1 277 . 1 . 1 110 110 MET H H 1 7.818 0.000 . 1 . . . . . 110 MET H . 50744 1 278 . 1 . 1 110 110 MET CA C 13 54.417 0.022 . 1 . . . . . 110 MET CA . 50744 1 279 . 1 . 1 110 110 MET CB C 13 35.919 0.001 . 1 . . . . . 110 MET CB . 50744 1 280 . 1 . 1 110 110 MET N N 15 115.002 0.001 . 1 . . . . . 110 MET N . 50744 1 281 . 1 . 1 111 111 SER H H 1 8.577 0.001 . 1 . . . . . 111 SER H . 50744 1 282 . 1 . 1 111 111 SER CA C 13 55.469 0.045 . 1 . . . . . 111 SER CA . 50744 1 283 . 1 . 1 111 111 SER CB C 13 65.395 0.042 . 1 . . . . . 111 SER CB . 50744 1 284 . 1 . 1 111 111 SER N N 15 118.402 0.019 . 1 . . . . . 111 SER N . 50744 1 285 . 1 . 1 112 112 ALA H H 1 8.481 0.000 . 1 . . . . . 112 ALA H . 50744 1 286 . 1 . 1 112 112 ALA CA C 13 50.879 0.007 . 1 . . . . . 112 ALA CA . 50744 1 287 . 1 . 1 112 112 ALA CB C 13 23.167 0.013 . 1 . . . . . 112 ALA CB . 50744 1 288 . 1 . 1 112 112 ALA N N 15 123.146 0.010 . 1 . . . . . 112 ALA N . 50744 1 289 . 1 . 1 113 113 ASP H H 1 8.530 0.000 . 1 . . . . . 113 ASP H . 50744 1 290 . 1 . 1 113 113 ASP CA C 13 49.117 0.000 . 1 . . . . . 113 ASP CA . 50744 1 291 . 1 . 1 113 113 ASP CB C 13 41.108 0.000 . 1 . . . . . 113 ASP CB . 50744 1 292 . 1 . 1 113 113 ASP N N 15 123.586 0.019 . 1 . . . . . 113 ASP N . 50744 1 293 . 1 . 1 114 114 PRO CA C 13 64.225 0.000 . 1 . . . . . 114 PRO CA . 50744 1 294 . 1 . 1 114 114 PRO CB C 13 30.754 0.000 . 1 . . . . . 114 PRO CB . 50744 1 295 . 1 . 1 115 115 GLU H H 1 8.112 0.000 . 1 . . . . . 115 GLU H . 50744 1 296 . 1 . 1 115 115 GLU CA C 13 58.480 0.005 . 1 . . . . . 115 GLU CA . 50744 1 297 . 1 . 1 115 115 GLU CB C 13 28.938 0.017 . 1 . . . . . 115 GLU CB . 50744 1 298 . 1 . 1 115 115 GLU N N 15 119.724 0.014 . 1 . . . . . 115 GLU N . 50744 1 299 . 1 . 1 116 116 GLU H H 1 7.342 0.000 . 1 . . . . . 116 GLU H . 50744 1 300 . 1 . 1 116 116 GLU CA C 13 56.163 0.051 . 1 . . . . . 116 GLU CA . 50744 1 301 . 1 . 1 116 116 GLU CB C 13 29.906 0.046 . 1 . . . . . 116 GLU CB . 50744 1 302 . 1 . 1 116 116 GLU N N 15 114.693 0.022 . 1 . . . . . 116 GLU N . 50744 1 303 . 1 . 1 117 117 TYR H H 1 7.523 0.002 . 1 . . . . . 117 TYR H . 50744 1 304 . 1 . 1 117 117 TYR CA C 13 56.934 0.001 . 1 . . . . . 117 TYR CA . 50744 1 305 . 1 . 1 117 117 TYR CB C 13 43.055 0.057 . 1 . . . . . 117 TYR CB . 50744 1 306 . 1 . 1 117 117 TYR N N 15 117.419 0.018 . 1 . . . . . 117 TYR N . 50744 1 307 . 1 . 1 118 118 ASP H H 1 8.516 0.001 . 1 . . . . . 118 ASP H . 50744 1 308 . 1 . 1 118 118 ASP CA C 13 51.877 0.000 . 1 . . . . . 118 ASP CA . 50744 1 309 . 1 . 1 118 118 ASP CB C 13 40.846 0.000 . 1 . . . . . 118 ASP CB . 50744 1 310 . 1 . 1 118 118 ASP N N 15 118.490 0.011 . 1 . . . . . 118 ASP N . 50744 1 311 . 1 . 1 119 119 LEU H H 1 8.702 0.000 . 1 . . . . . 119 LEU H . 50744 1 312 . 1 . 1 119 119 LEU CA C 13 55.804 0.007 . 1 . . . . . 119 LEU CA . 50744 1 313 . 1 . 1 119 119 LEU CB C 13 36.856 0.055 . 1 . . . . . 119 LEU CB . 50744 1 314 . 1 . 1 119 119 LEU N N 15 130.335 0.005 . 1 . . . . . 119 LEU N . 50744 1 315 . 1 . 1 120 120 ALA H H 1 7.544 0.001 . 1 . . . . . 120 ALA H . 50744 1 316 . 1 . 1 120 120 ALA CA C 13 54.378 0.016 . 1 . . . . . 120 ALA CA . 50744 1 317 . 1 . 1 120 120 ALA CB C 13 17.370 0.011 . 1 . . . . . 120 ALA CB . 50744 1 318 . 1 . 1 120 120 ALA N N 15 122.057 0.004 . 1 . . . . . 120 ALA N . 50744 1 319 . 1 . 1 121 121 ASP H H 1 7.667 0.001 . 1 . . . . . 121 ASP H . 50744 1 320 . 1 . 1 121 121 ASP CA C 13 55.516 0.000 . 1 . . . . . 121 ASP CA . 50744 1 321 . 1 . 1 121 121 ASP CB C 13 39.484 0.000 . 1 . . . . . 121 ASP CB . 50744 1 322 . 1 . 1 121 121 ASP N N 15 116.466 0.011 . 1 . . . . . 121 ASP N . 50744 1 323 . 1 . 1 122 122 LEU H H 1 8.247 0.000 . 1 . . . . . 122 LEU H . 50744 1 324 . 1 . 1 122 122 LEU CA C 13 57.977 0.051 . 1 . . . . . 122 LEU CA . 50744 1 325 . 1 . 1 122 122 LEU CB C 13 43.190 0.017 . 1 . . . . . 122 LEU CB . 50744 1 326 . 1 . 1 122 122 LEU N N 15 122.143 0.017 . 1 . . . . . 122 LEU N . 50744 1 327 . 1 . 1 123 123 SER H H 1 7.443 0.002 . 1 . . . . . 123 SER H . 50744 1 328 . 1 . 1 123 123 SER CA C 13 60.552 0.013 . 1 . . . . . 123 SER CA . 50744 1 329 . 1 . 1 123 123 SER CB C 13 62.817 0.001 . 1 . . . . . 123 SER CB . 50744 1 330 . 1 . 1 123 123 SER N N 15 109.141 0.013 . 1 . . . . . 123 SER N . 50744 1 331 . 1 . 1 124 124 SER H H 1 7.806 0.000 . 1 . . . . . 124 SER H . 50744 1 332 . 1 . 1 124 124 SER CA C 13 58.796 0.000 . 1 . . . . . 124 SER CA . 50744 1 333 . 1 . 1 124 124 SER CB C 13 63.708 0.018 . 1 . . . . . 124 SER CB . 50744 1 334 . 1 . 1 124 124 SER N N 15 116.525 0.013 . 1 . . . . . 124 SER N . 50744 1 335 . 1 . 1 125 125 LEU H H 1 7.557 0.000 . 1 . . . . . 125 LEU H . 50744 1 336 . 1 . 1 125 125 LEU CA C 13 58.504 0.000 . 1 . . . . . 125 LEU CA . 50744 1 337 . 1 . 1 125 125 LEU CB C 13 40.333 0.000 . 1 . . . . . 125 LEU CB . 50744 1 338 . 1 . 1 125 125 LEU N N 15 125.159 0.015 . 1 . . . . . 125 LEU N . 50744 1 339 . 1 . 1 126 126 PRO CA C 13 64.422 0.046 . 1 . . . . . 126 PRO CA . 50744 1 340 . 1 . 1 126 126 PRO CB C 13 30.314 0.000 . 1 . . . . . 126 PRO CB . 50744 1 341 . 1 . 1 127 127 GLU H H 1 7.663 0.000 . 1 . . . . . 127 GLU H . 50744 1 342 . 1 . 1 127 127 GLU CA C 13 57.494 0.004 . 1 . . . . . 127 GLU CA . 50744 1 343 . 1 . 1 127 127 GLU CB C 13 29.464 0.000 . 1 . . . . . 127 GLU CB . 50744 1 344 . 1 . 1 127 127 GLU N N 15 115.895 0.005 . 1 . . . . . 127 GLU N . 50744 1 345 . 1 . 1 128 128 ILE H H 1 7.915 0.000 . 1 . . . . . 128 ILE H . 50744 1 346 . 1 . 1 128 128 ILE CA C 13 60.020 0.002 . 1 . . . . . 128 ILE CA . 50744 1 347 . 1 . 1 128 128 ILE CB C 13 38.503 0.003 . 1 . . . . . 128 ILE CB . 50744 1 348 . 1 . 1 128 128 ILE N N 15 121.348 0.001 . 1 . . . . . 128 ILE N . 50744 1 349 . 1 . 1 129 129 ASP H H 1 8.524 0.000 . 1 . . . . . 129 ASP H . 50744 1 350 . 1 . 1 129 129 ASP CA C 13 55.350 0.015 . 1 . . . . . 129 ASP CA . 50744 1 351 . 1 . 1 129 129 ASP CB C 13 40.832 0.004 . 1 . . . . . 129 ASP CB . 50744 1 352 . 1 . 1 129 129 ASP N N 15 129.634 0.002 . 1 . . . . . 129 ASP N . 50744 1 353 . 1 . 1 130 130 LYS H H 1 8.498 0.000 . 1 . . . . . 130 LYS H . 50744 1 354 . 1 . 1 130 130 LYS CA C 13 56.652 0.001 . 1 . . . . . 130 LYS CA . 50744 1 355 . 1 . 1 130 130 LYS CB C 13 28.699 0.035 . 1 . . . . . 130 LYS CB . 50744 1 356 . 1 . 1 130 130 LYS N N 15 118.119 0.004 . 1 . . . . . 130 LYS N . 50744 1 357 . 1 . 1 131 131 SER H H 1 7.153 0.001 . 1 . . . . . 131 SER H . 50744 1 358 . 1 . 1 131 131 SER CA C 13 56.132 0.011 . 1 . . . . . 131 SER CA . 50744 1 359 . 1 . 1 131 131 SER CB C 13 65.071 0.041 . 1 . . . . . 131 SER CB . 50744 1 360 . 1 . 1 131 131 SER N N 15 110.483 0.016 . 1 . . . . . 131 SER N . 50744 1 361 . 1 . 1 132 132 LEU H H 1 7.994 0.000 . 1 . . . . . 132 LEU H . 50744 1 362 . 1 . 1 132 132 LEU CA C 13 54.369 0.001 . 1 . . . . . 132 LEU CA . 50744 1 363 . 1 . 1 132 132 LEU CB C 13 45.513 0.012 . 1 . . . . . 132 LEU CB . 50744 1 364 . 1 . 1 132 132 LEU N N 15 118.869 0.000 . 1 . . . . . 132 LEU N . 50744 1 365 . 1 . 1 133 133 VAL H H 1 8.634 0.001 . 1 . . . . . 133 VAL H . 50744 1 366 . 1 . 1 133 133 VAL CA C 13 56.485 0.035 . 1 . . . . . 133 VAL CA . 50744 1 367 . 1 . 1 133 133 VAL CB C 13 33.968 0.021 . 1 . . . . . 133 VAL CB . 50744 1 368 . 1 . 1 133 133 VAL N N 15 122.797 0.002 . 1 . . . . . 133 VAL N . 50744 1 369 . 1 . 1 134 134 VAL H H 1 8.534 0.001 . 1 . . . . . 134 VAL H . 50744 1 370 . 1 . 1 134 134 VAL CA C 13 58.092 0.015 . 1 . . . . . 134 VAL CA . 50744 1 371 . 1 . 1 134 134 VAL CB C 13 34.284 0.010 . 1 . . . . . 134 VAL CB . 50744 1 372 . 1 . 1 134 134 VAL N N 15 126.364 0.005 . 1 . . . . . 134 VAL N . 50744 1 373 . 1 . 1 135 135 PHE H H 1 8.478 0.000 . 1 . . . . . 135 PHE H . 50744 1 374 . 1 . 1 135 135 PHE CA C 13 56.012 0.010 . 1 . . . . . 135 PHE CA . 50744 1 375 . 1 . 1 135 135 PHE CB C 13 40.974 0.036 . 1 . . . . . 135 PHE CB . 50744 1 376 . 1 . 1 135 135 PHE N N 15 122.786 0.004 . 1 . . . . . 135 PHE N . 50744 1 377 . 1 . 1 136 136 CYS H H 1 8.964 0.001 . 1 . . . . . 136 CYS H . 50744 1 378 . 1 . 1 136 136 CYS CA C 13 56.980 0.021 . 1 . . . . . 136 CYS CA . 50744 1 379 . 1 . 1 136 136 CYS CB C 13 27.820 0.021 . 1 . . . . . 136 CYS CB . 50744 1 380 . 1 . 1 136 136 CYS N N 15 123.698 0.001 . 1 . . . . . 136 CYS N . 50744 1 381 . 1 . 1 137 137 MET H H 1 8.099 0.001 . 1 . . . . . 137 MET H . 50744 1 382 . 1 . 1 137 137 MET CA C 13 52.385 0.009 . 1 . . . . . 137 MET CA . 50744 1 383 . 1 . 1 137 137 MET CB C 13 34.438 0.012 . 1 . . . . . 137 MET CB . 50744 1 384 . 1 . 1 137 137 MET N N 15 118.567 0.004 . 1 . . . . . 137 MET N . 50744 1 385 . 1 . 1 138 138 ALA H H 1 9.117 0.000 . 1 . . . . . 138 ALA H . 50744 1 386 . 1 . 1 138 138 ALA CA C 13 51.126 0.006 . 1 . . . . . 138 ALA CA . 50744 1 387 . 1 . 1 138 138 ALA CB C 13 20.563 0.013 . 1 . . . . . 138 ALA CB . 50744 1 388 . 1 . 1 138 138 ALA N N 15 132.749 0.005 . 1 . . . . . 138 ALA N . 50744 1 389 . 1 . 1 139 139 THR H H 1 6.882 0.001 . 1 . . . . . 139 THR H . 50744 1 390 . 1 . 1 139 139 THR CA C 13 62.793 0.039 . 1 . . . . . 139 THR CA . 50744 1 391 . 1 . 1 139 139 THR CB C 13 70.378 0.081 . 1 . . . . . 139 THR CB . 50744 1 392 . 1 . 1 139 139 THR N N 15 113.671 0.004 . 1 . . . . . 139 THR N . 50744 1 393 . 1 . 1 140 140 TYR H H 1 8.502 0.000 . 1 . . . . . 140 TYR H . 50744 1 394 . 1 . 1 140 140 TYR CA C 13 56.741 0.023 . 1 . . . . . 140 TYR CA . 50744 1 395 . 1 . 1 140 140 TYR CB C 13 40.380 0.005 . 1 . . . . . 140 TYR CB . 50744 1 396 . 1 . 1 140 140 TYR N N 15 130.074 0.003 . 1 . . . . . 140 TYR N . 50744 1 397 . 1 . 1 141 141 GLY H H 1 7.673 0.000 . 1 . . . . . 141 GLY H . 50744 1 398 . 1 . 1 141 141 GLY CA C 13 46.969 0.000 . 1 . . . . . 141 GLY CA . 50744 1 399 . 1 . 1 141 141 GLY N N 15 106.720 0.003 . 1 . . . . . 141 GLY N . 50744 1 400 . 1 . 1 142 142 GLU CA C 13 54.715 0.000 . 1 . . . . . 142 GLU CA . 50744 1 401 . 1 . 1 142 142 GLU CB C 13 26.987 0.000 . 1 . . . . . 142 GLU CB . 50744 1 402 . 1 . 1 143 143 GLY H H 1 7.543 0.001 . 1 . . . . . 143 GLY H . 50744 1 403 . 1 . 1 143 143 GLY CA C 13 45.936 0.000 . 1 . . . . . 143 GLY CA . 50744 1 404 . 1 . 1 143 143 GLY N N 15 105.944 0.015 . 1 . . . . . 143 GLY N . 50744 1 405 . 1 . 1 145 145 PRO CA C 13 61.243 0.000 . 1 . . . . . 145 PRO CA . 50744 1 406 . 1 . 1 145 145 PRO CB C 13 31.093 0.000 . 1 . . . . . 145 PRO CB . 50744 1 407 . 1 . 1 146 146 THR H H 1 7.308 0.001 . 1 . . . . . 146 THR H . 50744 1 408 . 1 . 1 146 146 THR CA C 13 60.957 0.020 . 1 . . . . . 146 THR CA . 50744 1 409 . 1 . 1 146 146 THR CB C 13 69.122 0.013 . 1 . . . . . 146 THR CB . 50744 1 410 . 1 . 1 146 146 THR N N 15 108.144 0.014 . 1 . . . . . 146 THR N . 50744 1 411 . 1 . 1 147 147 ASP H H 1 8.521 0.000 . 1 . . . . . 147 ASP H . 50744 1 412 . 1 . 1 147 147 ASP CA C 13 57.654 0.012 . 1 . . . . . 147 ASP CA . 50744 1 413 . 1 . 1 147 147 ASP CB C 13 39.358 0.053 . 1 . . . . . 147 ASP CB . 50744 1 414 . 1 . 1 147 147 ASP N N 15 123.804 0.006 . 1 . . . . . 147 ASP N . 50744 1 415 . 1 . 1 148 148 ASN H H 1 9.117 0.003 . 1 . . . . . 148 ASN H . 50744 1 416 . 1 . 1 148 148 ASN CA C 13 54.242 0.000 . 1 . . . . . 148 ASN CA . 50744 1 417 . 1 . 1 148 148 ASN CB C 13 36.854 0.000 . 1 . . . . . 148 ASN CB . 50744 1 418 . 1 . 1 148 148 ASN N N 15 117.750 0.007 . 1 . . . . . 148 ASN N . 50744 1 419 . 1 . 1 149 149 ALA H H 1 7.496 0.000 . 1 . . . . . 149 ALA H . 50744 1 420 . 1 . 1 149 149 ALA CA C 13 49.684 0.018 . 1 . . . . . 149 ALA CA . 50744 1 421 . 1 . 1 149 149 ALA CB C 13 19.985 0.040 . 1 . . . . . 149 ALA CB . 50744 1 422 . 1 . 1 149 149 ALA N N 15 120.798 0.019 . 1 . . . . . 149 ALA N . 50744 1 423 . 1 . 1 150 150 GLN H H 1 7.348 0.001 . 1 . . . . . 150 GLN H . 50744 1 424 . 1 . 1 150 150 GLN CA C 13 59.343 0.015 . 1 . . . . . 150 GLN CA . 50744 1 425 . 1 . 1 150 150 GLN CB C 13 28.749 0.000 . 1 . . . . . 150 GLN CB . 50744 1 426 . 1 . 1 150 150 GLN N N 15 123.189 0.006 . 1 . . . . . 150 GLN N . 50744 1 427 . 1 . 1 151 151 ASP H H 1 8.731 0.001 . 1 . . . . . 151 ASP H . 50744 1 428 . 1 . 1 151 151 ASP CA C 13 57.510 0.000 . 1 . . . . . 151 ASP CA . 50744 1 429 . 1 . 1 151 151 ASP CB C 13 38.941 0.000 . 1 . . . . . 151 ASP CB . 50744 1 430 . 1 . 1 151 151 ASP N N 15 119.680 0.009 . 1 . . . . . 151 ASP N . 50744 1 431 . 1 . 1 152 152 PHE CA C 13 57.963 0.000 . 1 . . . . . 152 PHE CA . 50744 1 432 . 1 . 1 153 153 TYR H H 1 8.403 0.000 . 1 . . . . . 153 TYR H . 50744 1 433 . 1 . 1 153 153 TYR CA C 13 60.919 0.003 . 1 . . . . . 153 TYR CA . 50744 1 434 . 1 . 1 153 153 TYR CB C 13 38.373 0.017 . 1 . . . . . 153 TYR CB . 50744 1 435 . 1 . 1 153 153 TYR N N 15 121.259 0.006 . 1 . . . . . 153 TYR N . 50744 1 436 . 1 . 1 154 154 ASP H H 1 8.629 0.001 . 1 . . . . . 154 ASP H . 50744 1 437 . 1 . 1 154 154 ASP CA C 13 57.394 0.015 . 1 . . . . . 154 ASP CA . 50744 1 438 . 1 . 1 154 154 ASP CB C 13 39.380 0.022 . 1 . . . . . 154 ASP CB . 50744 1 439 . 1 . 1 154 154 ASP N N 15 119.682 0.002 . 1 . . . . . 154 ASP N . 50744 1 440 . 1 . 1 155 155 TRP H H 1 8.147 0.000 . 1 . . . . . 155 TRP H . 50744 1 441 . 1 . 1 155 155 TRP CA C 13 61.522 0.003 . 1 . . . . . 155 TRP CA . 50744 1 442 . 1 . 1 155 155 TRP CB C 13 26.993 0.024 . 1 . . . . . 155 TRP CB . 50744 1 443 . 1 . 1 155 155 TRP N N 15 122.733 0.003 . 1 . . . . . 155 TRP N . 50744 1 444 . 1 . 1 156 156 LEU H H 1 8.536 0.000 . 1 . . . . . 156 LEU H . 50744 1 445 . 1 . 1 156 156 LEU CA C 13 56.085 0.009 . 1 . . . . . 156 LEU CA . 50744 1 446 . 1 . 1 156 156 LEU CB C 13 42.130 0.008 . 1 . . . . . 156 LEU CB . 50744 1 447 . 1 . 1 156 156 LEU N N 15 119.429 0.002 . 1 . . . . . 156 LEU N . 50744 1 448 . 1 . 1 157 157 GLN H H 1 7.349 0.001 . 1 . . . . . 157 GLN H . 50744 1 449 . 1 . 1 157 157 GLN CA C 13 57.857 0.017 . 1 . . . . . 157 GLN CA . 50744 1 450 . 1 . 1 157 157 GLN CB C 13 29.553 0.015 . 1 . . . . . 157 GLN CB . 50744 1 451 . 1 . 1 157 157 GLN N N 15 115.556 0.014 . 1 . . . . . 157 GLN N . 50744 1 452 . 1 . 1 158 158 GLU H H 1 6.991 0.001 . 1 . . . . . 158 GLU H . 50744 1 453 . 1 . 1 158 158 GLU CA C 13 55.789 0.004 . 1 . . . . . 158 GLU CA . 50744 1 454 . 1 . 1 158 158 GLU CB C 13 31.124 0.009 . 1 . . . . . 158 GLU CB . 50744 1 455 . 1 . 1 158 158 GLU N N 15 116.216 0.030 . 1 . . . . . 158 GLU N . 50744 1 456 . 1 . 1 159 159 THR H H 1 7.435 0.000 . 1 . . . . . 159 THR H . 50744 1 457 . 1 . 1 159 159 THR CA C 13 62.887 0.006 . 1 . . . . . 159 THR CA . 50744 1 458 . 1 . 1 159 159 THR CB C 13 67.526 0.005 . 1 . . . . . 159 THR CB . 50744 1 459 . 1 . 1 159 159 THR N N 15 116.430 0.002 . 1 . . . . . 159 THR N . 50744 1 460 . 1 . 1 160 160 ASP H H 1 7.366 0.000 . 1 . . . . . 160 ASP H . 50744 1 461 . 1 . 1 160 160 ASP CA C 13 51.944 0.004 . 1 . . . . . 160 ASP CA . 50744 1 462 . 1 . 1 160 160 ASP CB C 13 40.864 0.000 . 1 . . . . . 160 ASP CB . 50744 1 463 . 1 . 1 160 160 ASP N N 15 123.037 0.010 . 1 . . . . . 160 ASP N . 50744 1 464 . 1 . 1 161 161 VAL H H 1 7.786 0.000 . 1 . . . . . 161 VAL H . 50744 1 465 . 1 . 1 161 161 VAL CA C 13 62.480 0.000 . 1 . . . . . 161 VAL CA . 50744 1 466 . 1 . 1 161 161 VAL CB C 13 31.821 0.000 . 1 . . . . . 161 VAL CB . 50744 1 467 . 1 . 1 161 161 VAL N N 15 121.446 0.001 . 1 . . . . . 161 VAL N . 50744 1 468 . 1 . 1 162 162 ASP H H 1 7.786 0.000 . 1 . . . . . 162 ASP H . 50744 1 469 . 1 . 1 162 162 ASP CA C 13 52.621 0.004 . 1 . . . . . 162 ASP CA . 50744 1 470 . 1 . 1 162 162 ASP CB C 13 40.995 0.007 . 1 . . . . . 162 ASP CB . 50744 1 471 . 1 . 1 162 162 ASP N N 15 121.446 0.001 . 1 . . . . . 162 ASP N . 50744 1 472 . 1 . 1 163 163 LEU H H 1 8.615 0.000 . 1 . . . . . 163 LEU H . 50744 1 473 . 1 . 1 163 163 LEU CA C 13 52.477 0.019 . 1 . . . . . 163 LEU CA . 50744 1 474 . 1 . 1 163 163 LEU CB C 13 40.607 0.000 . 1 . . . . . 163 LEU CB . 50744 1 475 . 1 . 1 163 163 LEU N N 15 125.806 0.004 . 1 . . . . . 163 LEU N . 50744 1 476 . 1 . 1 164 164 THR H H 1 8.155 0.001 . 1 . . . . . 164 THR H . 50744 1 477 . 1 . 1 164 164 THR CA C 13 66.325 0.035 . 1 . . . . . 164 THR CA . 50744 1 478 . 1 . 1 164 164 THR CB C 13 67.888 0.000 . 1 . . . . . 164 THR CB . 50744 1 479 . 1 . 1 164 164 THR N N 15 118.404 0.004 . 1 . . . . . 164 THR N . 50744 1 480 . 1 . 1 165 165 GLY H H 1 9.103 0.000 . 1 . . . . . 165 GLY H . 50744 1 481 . 1 . 1 165 165 GLY CA C 13 44.541 0.017 . 1 . . . . . 165 GLY CA . 50744 1 482 . 1 . 1 165 165 GLY N N 15 117.247 0.011 . 1 . . . . . 165 GLY N . 50744 1 483 . 1 . 1 166 166 VAL H H 1 8.352 0.000 . 1 . . . . . 166 VAL H . 50744 1 484 . 1 . 1 166 166 VAL CA C 13 63.013 0.005 . 1 . . . . . 166 VAL CA . 50744 1 485 . 1 . 1 166 166 VAL CB C 13 30.508 0.013 . 1 . . . . . 166 VAL CB . 50744 1 486 . 1 . 1 166 166 VAL N N 15 124.648 0.000 . 1 . . . . . 166 VAL N . 50744 1 487 . 1 . 1 167 167 LYS H H 1 8.585 0.000 . 1 . . . . . 167 LYS H . 50744 1 488 . 1 . 1 167 167 LYS CA C 13 53.679 0.018 . 1 . . . . . 167 LYS CA . 50744 1 489 . 1 . 1 167 167 LYS CB C 13 32.501 0.008 . 1 . . . . . 167 LYS CB . 50744 1 490 . 1 . 1 167 167 LYS N N 15 130.266 0.001 . 1 . . . . . 167 LYS N . 50744 1 491 . 1 . 1 168 168 PHE H H 1 8.520 0.000 . 1 . . . . . 168 PHE H . 50744 1 492 . 1 . 1 168 168 PHE CA C 13 55.181 0.028 . 1 . . . . . 168 PHE CA . 50744 1 493 . 1 . 1 168 168 PHE CB C 13 46.304 0.005 . 1 . . . . . 168 PHE CB . 50744 1 494 . 1 . 1 168 168 PHE N N 15 119.263 0.019 . 1 . . . . . 168 PHE N . 50744 1 495 . 1 . 1 169 169 ALA H H 1 8.317 0.000 . 1 . . . . . 169 ALA H . 50744 1 496 . 1 . 1 169 169 ALA CA C 13 51.630 0.056 . 1 . . . . . 169 ALA CA . 50744 1 497 . 1 . 1 169 169 ALA CB C 13 24.277 0.009 . 1 . . . . . 169 ALA CB . 50744 1 498 . 1 . 1 169 169 ALA N N 15 119.310 0.009 . 1 . . . . . 169 ALA N . 50744 1 499 . 1 . 1 170 170 VAL H H 1 9.626 0.001 . 1 . . . . . 170 VAL H . 50744 1 500 . 1 . 1 170 170 VAL CA C 13 60.792 0.015 . 1 . . . . . 170 VAL CA . 50744 1 501 . 1 . 1 170 170 VAL CB C 13 35.193 0.096 . 1 . . . . . 170 VAL CB . 50744 1 502 . 1 . 1 170 170 VAL N N 15 121.845 0.002 . 1 . . . . . 170 VAL N . 50744 1 503 . 1 . 1 171 171 PHE H H 1 8.913 0.000 . 1 . . . . . 171 PHE H . 50744 1 504 . 1 . 1 171 171 PHE CA C 13 57.376 0.003 . 1 . . . . . 171 PHE CA . 50744 1 505 . 1 . 1 171 171 PHE CB C 13 40.591 0.013 . 1 . . . . . 171 PHE CB . 50744 1 506 . 1 . 1 171 171 PHE N N 15 126.240 0.005 . 1 . . . . . 171 PHE N . 50744 1 507 . 1 . 1 172 172 GLY H H 1 8.504 0.001 . 1 . . . . . 172 GLY H . 50744 1 508 . 1 . 1 172 172 GLY CA C 13 43.988 0.016 . 1 . . . . . 172 GLY CA . 50744 1 509 . 1 . 1 172 172 GLY N N 15 117.068 0.002 . 1 . . . . . 172 GLY N . 50744 1 510 . 1 . 1 173 173 LEU H H 1 7.642 0.001 . 1 . . . . . 173 LEU H . 50744 1 511 . 1 . 1 173 173 LEU CA C 13 56.162 0.002 . 1 . . . . . 173 LEU CA . 50744 1 512 . 1 . 1 173 173 LEU CB C 13 42.553 0.025 . 1 . . . . . 173 LEU CB . 50744 1 513 . 1 . 1 173 173 LEU N N 15 125.255 0.032 . 1 . . . . . 173 LEU N . 50744 1 514 . 1 . 1 174 174 GLY H H 1 6.950 0.002 . 1 . . . . . 174 GLY H . 50744 1 515 . 1 . 1 174 174 GLY CA C 13 45.111 0.012 . 1 . . . . . 174 GLY CA . 50744 1 516 . 1 . 1 174 174 GLY N N 15 108.154 0.023 . 1 . . . . . 174 GLY N . 50744 1 517 . 1 . 1 175 175 ASN H H 1 8.956 0.001 . 1 . . . . . 175 ASN H . 50744 1 518 . 1 . 1 175 175 ASN CA C 13 53.109 0.016 . 1 . . . . . 175 ASN CA . 50744 1 519 . 1 . 1 175 175 ASN CB C 13 39.265 0.018 . 1 . . . . . 175 ASN CB . 50744 1 520 . 1 . 1 175 175 ASN N N 15 120.298 0.007 . 1 . . . . . 175 ASN N . 50744 1 521 . 1 . 1 176 176 LYS H H 1 8.712 0.002 . 1 . . . . . 176 LYS H . 50744 1 522 . 1 . 1 176 176 LYS CA C 13 58.049 0.000 . 1 . . . . . 176 LYS CA . 50744 1 523 . 1 . 1 176 176 LYS CB C 13 31.506 0.000 . 1 . . . . . 176 LYS CB . 50744 1 524 . 1 . 1 176 176 LYS N N 15 127.588 0.013 . 1 . . . . . 176 LYS N . 50744 1 525 . 1 . 1 177 177 THR H H 1 8.724 0.000 . 1 . . . . . 177 THR H . 50744 1 526 . 1 . 1 177 177 THR CA C 13 63.090 0.000 . 1 . . . . . 177 THR CA . 50744 1 527 . 1 . 1 177 177 THR CB C 13 68.647 0.000 . 1 . . . . . 177 THR CB . 50744 1 528 . 1 . 1 177 177 THR N N 15 112.818 0.001 . 1 . . . . . 177 THR N . 50744 1 529 . 1 . 1 178 178 TYR H H 1 7.364 0.001 . 1 . . . . . 178 TYR H . 50744 1 530 . 1 . 1 178 178 TYR CA C 13 57.728 0.000 . 1 . . . . . 178 TYR CA . 50744 1 531 . 1 . 1 178 178 TYR CB C 13 37.637 0.007 . 1 . . . . . 178 TYR CB . 50744 1 532 . 1 . 1 178 178 TYR N N 15 121.377 0.004 . 1 . . . . . 178 TYR N . 50744 1 533 . 1 . 1 179 179 GLU H H 1 8.579 0.000 . 1 . . . . . 179 GLU H . 50744 1 534 . 1 . 1 179 179 GLU CA C 13 58.271 0.000 . 1 . . . . . 179 GLU CA . 50744 1 535 . 1 . 1 179 179 GLU CB C 13 29.246 0.021 . 1 . . . . . 179 GLU CB . 50744 1 536 . 1 . 1 179 179 GLU N N 15 121.540 0.002 . 1 . . . . . 179 GLU N . 50744 1 537 . 1 . 1 180 180 HIS H H 1 8.417 0.000 . 1 . . . . . 180 HIS H . 50744 1 538 . 1 . 1 180 180 HIS CA C 13 53.470 0.000 . 1 . . . . . 180 HIS CA . 50744 1 539 . 1 . 1 180 180 HIS CB C 13 27.002 0.000 . 1 . . . . . 180 HIS CB . 50744 1 540 . 1 . 1 180 180 HIS N N 15 117.649 0.003 . 1 . . . . . 180 HIS N . 50744 1 541 . 1 . 1 181 181 PHE H H 1 7.837 0.000 . 1 . . . . . 181 PHE H . 50744 1 542 . 1 . 1 181 181 PHE CA C 13 55.785 0.000 . 1 . . . . . 181 PHE CA . 50744 1 543 . 1 . 1 181 181 PHE CB C 13 37.993 0.017 . 1 . . . . . 181 PHE CB . 50744 1 544 . 1 . 1 181 181 PHE N N 15 125.293 0.021 . 1 . . . . . 181 PHE N . 50744 1 545 . 1 . 1 182 182 ASN H H 1 9.654 0.001 . 1 . . . . . 182 ASN H . 50744 1 546 . 1 . 1 182 182 ASN CA C 13 54.308 0.041 . 1 . . . . . 182 ASN CA . 50744 1 547 . 1 . 1 182 182 ASN CB C 13 38.902 0.031 . 1 . . . . . 182 ASN CB . 50744 1 548 . 1 . 1 182 182 ASN N N 15 127.919 0.003 . 1 . . . . . 182 ASN N . 50744 1 549 . 1 . 1 183 183 ALA H H 1 6.541 0.001 . 1 . . . . . 183 ALA H . 50744 1 550 . 1 . 1 183 183 ALA CA C 13 55.706 0.008 . 1 . . . . . 183 ALA CA . 50744 1 551 . 1 . 1 183 183 ALA CB C 13 19.775 0.021 . 1 . . . . . 183 ALA CB . 50744 1 552 . 1 . 1 183 183 ALA N N 15 116.834 0.005 . 1 . . . . . 183 ALA N . 50744 1 553 . 1 . 1 184 184 MET H H 1 8.445 0.001 . 1 . . . . . 184 MET H . 50744 1 554 . 1 . 1 184 184 MET CA C 13 56.633 0.018 . 1 . . . . . 184 MET CA . 50744 1 555 . 1 . 1 184 184 MET CB C 13 30.212 0.000 . 1 . . . . . 184 MET CB . 50744 1 556 . 1 . 1 184 184 MET N N 15 116.992 0.003 . 1 . . . . . 184 MET N . 50744 1 557 . 1 . 1 185 185 GLY H H 1 8.212 0.002 . 1 . . . . . 185 GLY H . 50744 1 558 . 1 . 1 185 185 GLY CA C 13 46.416 0.013 . 1 . . . . . 185 GLY CA . 50744 1 559 . 1 . 1 185 185 GLY N N 15 107.639 0.006 . 1 . . . . . 185 GLY N . 50744 1 560 . 1 . 1 186 186 LYS H H 1 7.699 0.001 . 1 . . . . . 186 LYS H . 50744 1 561 . 1 . 1 186 186 LYS CA C 13 59.640 0.008 . 1 . . . . . 186 LYS CA . 50744 1 562 . 1 . 1 186 186 LYS CB C 13 32.538 0.000 . 1 . . . . . 186 LYS CB . 50744 1 563 . 1 . 1 186 186 LYS N N 15 117.281 0.001 . 1 . . . . . 186 LYS N . 50744 1 564 . 1 . 1 187 187 TYR H H 1 7.984 0.000 . 1 . . . . . 187 TYR H . 50744 1 565 . 1 . 1 187 187 TYR CA C 13 61.596 0.005 . 1 . . . . . 187 TYR CA . 50744 1 566 . 1 . 1 187 187 TYR CB C 13 37.737 0.008 . 1 . . . . . 187 TYR CB . 50744 1 567 . 1 . 1 187 187 TYR N N 15 120.412 0.001 . 1 . . . . . 187 TYR N . 50744 1 568 . 1 . 1 188 188 VAL H H 1 8.340 0.000 . 1 . . . . . 188 VAL H . 50744 1 569 . 1 . 1 188 188 VAL CA C 13 66.887 0.000 . 1 . . . . . 188 VAL CA . 50744 1 570 . 1 . 1 188 188 VAL CB C 13 31.327 0.004 . 1 . . . . . 188 VAL CB . 50744 1 571 . 1 . 1 188 188 VAL N N 15 118.630 0.004 . 1 . . . . . 188 VAL N . 50744 1 572 . 1 . 1 189 189 ASP H H 1 7.537 0.002 . 1 . . . . . 189 ASP H . 50744 1 573 . 1 . 1 189 189 ASP CA C 13 57.330 0.000 . 1 . . . . . 189 ASP CA . 50744 1 574 . 1 . 1 189 189 ASP CB C 13 44.367 0.007 . 1 . . . . . 189 ASP CB . 50744 1 575 . 1 . 1 189 189 ASP N N 15 115.959 0.005 . 1 . . . . . 189 ASP N . 50744 1 576 . 1 . 1 190 190 GLN H H 1 7.417 0.001 . 1 . . . . . 190 GLN H . 50744 1 577 . 1 . 1 190 190 GLN CA C 13 57.645 0.004 . 1 . . . . . 190 GLN CA . 50744 1 578 . 1 . 1 190 190 GLN CB C 13 28.439 0.003 . 1 . . . . . 190 GLN CB . 50744 1 579 . 1 . 1 190 190 GLN N N 15 115.618 0.013 . 1 . . . . . 190 GLN N . 50744 1 580 . 1 . 1 191 191 ARG H H 1 8.713 0.001 . 1 . . . . . 191 ARG H . 50744 1 581 . 1 . 1 191 191 ARG CA C 13 56.277 0.000 . 1 . . . . . 191 ARG CA . 50744 1 582 . 1 . 1 191 191 ARG CB C 13 28.777 0.016 . 1 . . . . . 191 ARG CB . 50744 1 583 . 1 . 1 191 191 ARG N N 15 121.818 0.004 . 1 . . . . . 191 ARG N . 50744 1 584 . 1 . 1 192 192 LEU H H 1 7.753 0.001 . 1 . . . . . 192 LEU H . 50744 1 585 . 1 . 1 192 192 LEU CA C 13 57.778 0.000 . 1 . . . . . 192 LEU CA . 50744 1 586 . 1 . 1 192 192 LEU CB C 13 38.365 0.095 . 1 . . . . . 192 LEU CB . 50744 1 587 . 1 . 1 192 192 LEU N N 15 116.952 0.002 . 1 . . . . . 192 LEU N . 50744 1 588 . 1 . 1 193 193 GLU H H 1 6.278 0.007 . 1 . . . . . 193 GLU H . 50744 1 589 . 1 . 1 193 193 GLU CA C 13 58.113 0.020 . 1 . . . . . 193 GLU CA . 50744 1 590 . 1 . 1 193 193 GLU CB C 13 29.177 0.000 . 1 . . . . . 193 GLU CB . 50744 1 591 . 1 . 1 193 193 GLU N N 15 117.554 0.002 . 1 . . . . . 193 GLU N . 50744 1 592 . 1 . 1 194 194 GLN H H 1 7.846 0.001 . 1 . . . . . 194 GLN H . 50744 1 593 . 1 . 1 194 194 GLN CA C 13 58.467 0.003 . 1 . . . . . 194 GLN CA . 50744 1 594 . 1 . 1 194 194 GLN CB C 13 27.694 0.000 . 1 . . . . . 194 GLN CB . 50744 1 595 . 1 . 1 194 194 GLN N N 15 122.645 0.002 . 1 . . . . . 194 GLN N . 50744 1 596 . 1 . 1 195 195 LEU H H 1 7.478 0.000 . 1 . . . . . 195 LEU H . 50744 1 597 . 1 . 1 195 195 LEU CA C 13 54.651 0.017 . 1 . . . . . 195 LEU CA . 50744 1 598 . 1 . 1 195 195 LEU CB C 13 40.896 0.021 . 1 . . . . . 195 LEU CB . 50744 1 599 . 1 . 1 195 195 LEU N N 15 117.814 0.012 . 1 . . . . . 195 LEU N . 50744 1 600 . 1 . 1 196 196 GLY H H 1 7.653 0.001 . 1 . . . . . 196 GLY H . 50744 1 601 . 1 . 1 196 196 GLY CA C 13 44.162 0.000 . 1 . . . . . 196 GLY CA . 50744 1 602 . 1 . 1 196 196 GLY N N 15 106.816 0.017 . 1 . . . . . 196 GLY N . 50744 1 603 . 1 . 1 197 197 ALA H H 1 7.765 0.003 . 1 . . . . . 197 ALA H . 50744 1 604 . 1 . 1 197 197 ALA CA C 13 51.653 0.003 . 1 . . . . . 197 ALA CA . 50744 1 605 . 1 . 1 197 197 ALA CB C 13 19.760 0.029 . 1 . . . . . 197 ALA CB . 50744 1 606 . 1 . 1 197 197 ALA N N 15 123.332 0.007 . 1 . . . . . 197 ALA N . 50744 1 607 . 1 . 1 198 198 GLN H H 1 9.248 0.006 . 1 . . . . . 198 GLN H . 50744 1 608 . 1 . 1 198 198 GLN CA C 13 54.029 0.009 . 1 . . . . . 198 GLN CA . 50744 1 609 . 1 . 1 198 198 GLN CB C 13 30.243 0.003 . 1 . . . . . 198 GLN CB . 50744 1 610 . 1 . 1 198 198 GLN N N 15 121.921 0.003 . 1 . . . . . 198 GLN N . 50744 1 611 . 1 . 1 199 199 ARG H H 1 8.549 0.006 . 1 . . . . . 199 ARG H . 50744 1 612 . 1 . 1 199 199 ARG CA C 13 54.849 0.000 . 1 . . . . . 199 ARG CA . 50744 1 613 . 1 . 1 199 199 ARG CB C 13 30.251 0.000 . 1 . . . . . 199 ARG CB . 50744 1 614 . 1 . 1 199 199 ARG N N 15 131.665 0.001 . 1 . . . . . 199 ARG N . 50744 1 615 . 1 . 1 200 200 ILE H H 1 8.757 0.001 . 1 . . . . . 200 ILE H . 50744 1 616 . 1 . 1 200 200 ILE CA C 13 59.705 0.000 . 1 . . . . . 200 ILE CA . 50744 1 617 . 1 . 1 200 200 ILE CB C 13 38.290 0.000 . 1 . . . . . 200 ILE CB . 50744 1 618 . 1 . 1 200 200 ILE N N 15 125.254 0.022 . 1 . . . . . 200 ILE N . 50744 1 619 . 1 . 1 201 201 PHE H H 1 7.014 0.000 . 1 . . . . . 201 PHE H . 50744 1 620 . 1 . 1 201 201 PHE CA C 13 57.740 0.000 . 1 . . . . . 201 PHE CA . 50744 1 621 . 1 . 1 201 201 PHE CB C 13 42.094 0.000 . 1 . . . . . 201 PHE CB . 50744 1 622 . 1 . 1 201 201 PHE N N 15 118.518 0.004 . 1 . . . . . 201 PHE N . 50744 1 623 . 1 . 1 202 202 GLU H H 1 5.816 0.001 . 1 . . . . . 202 GLU H . 50744 1 624 . 1 . 1 202 202 GLU CA C 13 55.538 0.039 . 1 . . . . . 202 GLU CA . 50744 1 625 . 1 . 1 202 202 GLU CB C 13 29.893 0.021 . 1 . . . . . 202 GLU CB . 50744 1 626 . 1 . 1 202 202 GLU N N 15 123.996 0.007 . 1 . . . . . 202 GLU N . 50744 1 627 . 1 . 1 203 203 LEU H H 1 7.967 0.000 . 1 . . . . . 203 LEU H . 50744 1 628 . 1 . 1 203 203 LEU CA C 13 54.712 0.000 . 1 . . . . . 203 LEU CA . 50744 1 629 . 1 . 1 203 203 LEU CB C 13 41.560 0.000 . 1 . . . . . 203 LEU CB . 50744 1 630 . 1 . 1 203 203 LEU N N 15 124.126 0.006 . 1 . . . . . 203 LEU N . 50744 1 631 . 1 . 1 204 204 GLY H H 1 8.758 0.001 . 1 . . . . . 204 GLY H . 50744 1 632 . 1 . 1 204 204 GLY CA C 13 44.600 0.000 . 1 . . . . . 204 GLY CA . 50744 1 633 . 1 . 1 204 204 GLY N N 15 117.431 0.004 . 1 . . . . . 204 GLY N . 50744 1 634 . 1 . 1 205 205 LEU H H 1 8.462 0.000 . 1 . . . . . 205 LEU H . 50744 1 635 . 1 . 1 205 205 LEU CA C 13 51.057 0.027 . 1 . . . . . 205 LEU CA . 50744 1 636 . 1 . 1 205 205 LEU CB C 13 41.964 0.019 . 1 . . . . . 205 LEU CB . 50744 1 637 . 1 . 1 205 205 LEU N N 15 126.621 0.002 . 1 . . . . . 205 LEU N . 50744 1 638 . 1 . 1 206 206 GLY H H 1 8.450 0.000 . 1 . . . . . 206 GLY H . 50744 1 639 . 1 . 1 206 206 GLY CA C 13 45.481 0.006 . 1 . . . . . 206 GLY CA . 50744 1 640 . 1 . 1 206 206 GLY N N 15 112.831 0.005 . 1 . . . . . 206 GLY N . 50744 1 641 . 1 . 1 207 207 ASP H H 1 9.276 0.000 . 1 . . . . . 207 ASP H . 50744 1 642 . 1 . 1 207 207 ASP CA C 13 51.763 0.000 . 1 . . . . . 207 ASP CA . 50744 1 643 . 1 . 1 207 207 ASP CB C 13 42.929 0.008 . 1 . . . . . 207 ASP CB . 50744 1 644 . 1 . 1 207 207 ASP N N 15 125.175 0.000 . 1 . . . . . 207 ASP N . 50744 1 645 . 1 . 1 208 208 ASP H H 1 10.130 0.001 . 1 . . . . . 208 ASP H . 50744 1 646 . 1 . 1 208 208 ASP CA C 13 54.121 0.010 . 1 . . . . . 208 ASP CA . 50744 1 647 . 1 . 1 208 208 ASP CB C 13 41.009 0.050 . 1 . . . . . 208 ASP CB . 50744 1 648 . 1 . 1 208 208 ASP N N 15 125.408 0.004 . 1 . . . . . 208 ASP N . 50744 1 649 . 1 . 1 209 209 ASP H H 1 8.270 0.001 . 1 . . . . . 209 ASP H . 50744 1 650 . 1 . 1 209 209 ASP CA C 13 55.006 0.014 . 1 . . . . . 209 ASP CA . 50744 1 651 . 1 . 1 209 209 ASP CB C 13 41.897 0.028 . 1 . . . . . 209 ASP CB . 50744 1 652 . 1 . 1 209 209 ASP N N 15 118.519 0.011 . 1 . . . . . 209 ASP N . 50744 1 653 . 1 . 1 210 210 GLY H H 1 7.243 0.002 . 1 . . . . . 210 GLY H . 50744 1 654 . 1 . 1 210 210 GLY CA C 13 44.624 0.012 . 1 . . . . . 210 GLY CA . 50744 1 655 . 1 . 1 210 210 GLY N N 15 107.804 0.009 . 1 . . . . . 210 GLY N . 50744 1 656 . 1 . 1 211 211 ASN H H 1 9.334 0.002 . 1 . . . . . 211 ASN H . 50744 1 657 . 1 . 1 211 211 ASN CA C 13 51.811 0.008 . 1 . . . . . 211 ASN CA . 50744 1 658 . 1 . 1 211 211 ASN CB C 13 38.323 0.005 . 1 . . . . . 211 ASN CB . 50744 1 659 . 1 . 1 211 211 ASN N N 15 128.310 0.002 . 1 . . . . . 211 ASN N . 50744 1 660 . 1 . 1 212 212 LEU H H 1 8.713 0.002 . 1 . . . . . 212 LEU H . 50744 1 661 . 1 . 1 212 212 LEU CA C 13 58.095 0.021 . 1 . . . . . 212 LEU CA . 50744 1 662 . 1 . 1 212 212 LEU CB C 13 42.153 0.000 . 1 . . . . . 212 LEU CB . 50744 1 663 . 1 . 1 212 212 LEU N N 15 128.056 0.004 . 1 . . . . . 212 LEU N . 50744 1 664 . 1 . 1 213 213 GLU H H 1 8.426 0.000 . 1 . . . . . 213 GLU H . 50744 1 665 . 1 . 1 213 213 GLU CA C 13 59.305 0.020 . 1 . . . . . 213 GLU CA . 50744 1 666 . 1 . 1 213 213 GLU CB C 13 28.225 0.035 . 1 . . . . . 213 GLU CB . 50744 1 667 . 1 . 1 213 213 GLU N N 15 119.184 0.006 . 1 . . . . . 213 GLU N . 50744 1 668 . 1 . 1 214 214 GLU H H 1 7.546 0.001 . 1 . . . . . 214 GLU H . 50744 1 669 . 1 . 1 214 214 GLU CA C 13 58.804 0.021 . 1 . . . . . 214 GLU CA . 50744 1 670 . 1 . 1 214 214 GLU CB C 13 28.814 0.000 . 1 . . . . . 214 GLU CB . 50744 1 671 . 1 . 1 214 214 GLU N N 15 119.342 0.003 . 1 . . . . . 214 GLU N . 50744 1 672 . 1 . 1 215 215 ASP H H 1 8.426 0.000 . 1 . . . . . 215 ASP H . 50744 1 673 . 1 . 1 215 215 ASP CA C 13 57.774 0.009 . 1 . . . . . 215 ASP CA . 50744 1 674 . 1 . 1 215 215 ASP CB C 13 40.707 0.012 . 1 . . . . . 215 ASP CB . 50744 1 675 . 1 . 1 215 215 ASP N N 15 122.565 0.006 . 1 . . . . . 215 ASP N . 50744 1 676 . 1 . 1 216 216 PHE H H 1 8.559 0.000 . 1 . . . . . 216 PHE H . 50744 1 677 . 1 . 1 216 216 PHE CA C 13 60.108 0.046 . 1 . . . . . 216 PHE CA . 50744 1 678 . 1 . 1 216 216 PHE CB C 13 38.173 0.003 . 1 . . . . . 216 PHE CB . 50744 1 679 . 1 . 1 216 216 PHE N N 15 122.272 0.001 . 1 . . . . . 216 PHE N . 50744 1 680 . 1 . 1 217 217 ILE H H 1 8.780 0.001 . 1 . . . . . 217 ILE H . 50744 1 681 . 1 . 1 217 217 ILE CA C 13 64.076 0.012 . 1 . . . . . 217 ILE CA . 50744 1 682 . 1 . 1 217 217 ILE CB C 13 36.414 0.015 . 1 . . . . . 217 ILE CB . 50744 1 683 . 1 . 1 217 217 ILE N N 15 120.889 0.004 . 1 . . . . . 217 ILE N . 50744 1 684 . 1 . 1 218 218 THR H H 1 8.369 0.001 . 1 . . . . . 218 THR H . 50744 1 685 . 1 . 1 218 218 THR CA C 13 66.236 0.013 . 1 . . . . . 218 THR CA . 50744 1 686 . 1 . 1 218 218 THR CB C 13 68.891 0.001 . 1 . . . . . 218 THR CB . 50744 1 687 . 1 . 1 218 218 THR N N 15 117.102 0.002 . 1 . . . . . 218 THR N . 50744 1 688 . 1 . 1 219 219 TRP H H 1 7.622 0.001 . 1 . . . . . 219 TRP H . 50744 1 689 . 1 . 1 219 219 TRP CA C 13 62.183 0.000 . 1 . . . . . 219 TRP CA . 50744 1 690 . 1 . 1 219 219 TRP CB C 13 29.100 0.022 . 1 . . . . . 219 TRP CB . 50744 1 691 . 1 . 1 219 219 TRP N N 15 123.843 0.006 . 1 . . . . . 219 TRP N . 50744 1 692 . 1 . 1 220 220 ARG H H 1 8.900 0.001 . 1 . . . . . 220 ARG H . 50744 1 693 . 1 . 1 220 220 ARG CA C 13 59.144 0.009 . 1 . . . . . 220 ARG CA . 50744 1 694 . 1 . 1 220 220 ARG CB C 13 30.416 0.004 . 1 . . . . . 220 ARG CB . 50744 1 695 . 1 . 1 220 220 ARG N N 15 120.869 0.009 . 1 . . . . . 220 ARG N . 50744 1 696 . 1 . 1 221 221 GLU H H 1 7.903 0.001 . 1 . . . . . 221 GLU H . 50744 1 697 . 1 . 1 221 221 GLU CA C 13 57.665 0.071 . 1 . . . . . 221 GLU CA . 50744 1 698 . 1 . 1 221 221 GLU CB C 13 29.005 0.009 . 1 . . . . . 221 GLU CB . 50744 1 699 . 1 . 1 221 221 GLU N N 15 115.142 0.006 . 1 . . . . . 221 GLU N . 50744 1 700 . 1 . 1 222 222 GLN H H 1 6.866 0.000 . 1 . . . . . 222 GLN H . 50744 1 701 . 1 . 1 222 222 GLN CA C 13 56.003 0.000 . 1 . . . . . 222 GLN CA . 50744 1 702 . 1 . 1 222 222 GLN CB C 13 30.624 0.006 . 1 . . . . . 222 GLN CB . 50744 1 703 . 1 . 1 222 222 GLN N N 15 116.170 0.009 . 1 . . . . . 222 GLN N . 50744 1 704 . 1 . 1 223 223 PHE H H 1 8.075 0.003 . 1 . . . . . 223 PHE H . 50744 1 705 . 1 . 1 223 223 PHE CA C 13 58.569 0.018 . 1 . . . . . 223 PHE CA . 50744 1 706 . 1 . 1 223 223 PHE CB C 13 38.282 0.000 . 1 . . . . . 223 PHE CB . 50744 1 707 . 1 . 1 223 223 PHE N N 15 125.627 0.002 . 1 . . . . . 223 PHE N . 50744 1 708 . 1 . 1 224 224 TRP H H 1 6.679 0.001 . 1 . . . . . 224 TRP H . 50744 1 709 . 1 . 1 224 224 TRP CA C 13 60.669 0.000 . 1 . . . . . 224 TRP CA . 50744 1 710 . 1 . 1 224 224 TRP CB C 13 25.829 0.000 . 1 . . . . . 224 TRP CB . 50744 1 711 . 1 . 1 224 224 TRP N N 15 116.293 0.005 . 1 . . . . . 224 TRP N . 50744 1 712 . 1 . 1 225 225 PRO CA C 13 65.767 0.000 . 1 . . . . . 225 PRO CA . 50744 1 713 . 1 . 1 225 225 PRO CB C 13 30.139 0.000 . 1 . . . . . 225 PRO CB . 50744 1 714 . 1 . 1 226 226 ALA H H 1 6.583 0.000 . 1 . . . . . 226 ALA H . 50744 1 715 . 1 . 1 226 226 ALA CA C 13 54.730 0.005 . 1 . . . . . 226 ALA CA . 50744 1 716 . 1 . 1 226 226 ALA CB C 13 17.665 0.000 . 1 . . . . . 226 ALA CB . 50744 1 717 . 1 . 1 226 226 ALA N N 15 120.631 0.004 . 1 . . . . . 226 ALA N . 50744 1 718 . 1 . 1 227 227 VAL H H 1 7.765 0.002 . 1 . . . . . 227 VAL H . 50744 1 719 . 1 . 1 227 227 VAL CA C 13 66.433 0.021 . 1 . . . . . 227 VAL CA . 50744 1 720 . 1 . 1 227 227 VAL CB C 13 31.159 0.025 . 1 . . . . . 227 VAL CB . 50744 1 721 . 1 . 1 227 227 VAL N N 15 122.586 0.002 . 1 . . . . . 227 VAL N . 50744 1 722 . 1 . 1 228 228 CYS H H 1 8.249 0.001 . 1 . . . . . 228 CYS H . 50744 1 723 . 1 . 1 228 228 CYS CA C 13 63.734 0.005 . 1 . . . . . 228 CYS CA . 50744 1 724 . 1 . 1 228 228 CYS CB C 13 26.009 0.012 . 1 . . . . . 228 CYS CB . 50744 1 725 . 1 . 1 228 228 CYS N N 15 117.802 0.002 . 1 . . . . . 228 CYS N . 50744 1 726 . 1 . 1 229 229 GLU H H 1 7.937 0.000 . 1 . . . . . 229 GLU H . 50744 1 727 . 1 . 1 229 229 GLU CA C 13 58.320 0.000 . 1 . . . . . 229 GLU CA . 50744 1 728 . 1 . 1 229 229 GLU CB C 13 28.969 0.000 . 1 . . . . . 229 GLU CB . 50744 1 729 . 1 . 1 229 229 GLU N N 15 119.355 0.007 . 1 . . . . . 229 GLU N . 50744 1 730 . 1 . 1 230 230 PHE H H 1 7.985 0.000 . 1 . . . . . 230 PHE H . 50744 1 731 . 1 . 1 230 230 PHE CA C 13 61.727 0.035 . 1 . . . . . 230 PHE CA . 50744 1 732 . 1 . 1 230 230 PHE CB C 13 38.692 0.006 . 1 . . . . . 230 PHE CB . 50744 1 733 . 1 . 1 230 230 PHE N N 15 120.633 0.006 . 1 . . . . . 230 PHE N . 50744 1 734 . 1 . 1 231 231 PHE H H 1 8.041 0.001 . 1 . . . . . 231 PHE H . 50744 1 735 . 1 . 1 231 231 PHE CA C 13 57.923 0.005 . 1 . . . . . 231 PHE CA . 50744 1 736 . 1 . 1 231 231 PHE CB C 13 39.637 0.042 . 1 . . . . . 231 PHE CB . 50744 1 737 . 1 . 1 231 231 PHE N N 15 113.003 0.012 . 1 . . . . . 231 PHE N . 50744 1 738 . 1 . 1 232 232 GLY H H 1 7.771 0.000 . 1 . . . . . 232 GLY H . 50744 1 739 . 1 . 1 232 232 GLY CA C 13 46.640 0.000 . 1 . . . . . 232 GLY CA . 50744 1 740 . 1 . 1 232 232 GLY N N 15 111.616 0.010 . 1 . . . . . 232 GLY N . 50744 1 741 . 1 . 1 233 233 VAL H H 1 7.888 0.001 . 1 . . . . . 233 VAL H . 50744 1 742 . 1 . 1 233 233 VAL CA C 13 60.166 0.010 . 1 . . . . . 233 VAL CA . 50744 1 743 . 1 . 1 233 233 VAL CB C 13 33.310 0.000 . 1 . . . . . 233 VAL CB . 50744 1 744 . 1 . 1 233 233 VAL N N 15 115.970 0.015 . 1 . . . . . 233 VAL N . 50744 1 745 . 1 . 1 234 234 GLU H H 1 8.073 0.000 . 1 . . . . . 234 GLU H . 50744 1 746 . 1 . 1 234 234 GLU CA C 13 54.716 0.020 . 1 . . . . . 234 GLU CA . 50744 1 747 . 1 . 1 234 234 GLU CB C 13 31.278 0.014 . 1 . . . . . 234 GLU CB . 50744 1 748 . 1 . 1 234 234 GLU N N 15 121.942 0.009 . 1 . . . . . 234 GLU N . 50744 1 749 . 1 . 1 235 235 ALA H H 1 8.371 0.000 . 1 . . . . . 235 ALA H . 50744 1 750 . 1 . 1 235 235 ALA CA C 13 51.744 0.020 . 1 . . . . . 235 ALA CA . 50744 1 751 . 1 . 1 235 235 ALA CB C 13 18.451 0.006 . 1 . . . . . 235 ALA CB . 50744 1 752 . 1 . 1 235 235 ALA N N 15 125.118 0.008 . 1 . . . . . 235 ALA N . 50744 1 753 . 1 . 1 236 236 THR H H 1 8.103 0.001 . 1 . . . . . 236 THR H . 50744 1 754 . 1 . 1 236 236 THR CA C 13 61.557 0.022 . 1 . . . . . 236 THR CA . 50744 1 755 . 1 . 1 236 236 THR CB C 13 69.573 0.001 . 1 . . . . . 236 THR CB . 50744 1 756 . 1 . 1 236 236 THR N N 15 114.313 0.001 . 1 . . . . . 236 THR N . 50744 1 757 . 1 . 1 237 237 GLY H H 1 8.211 0.000 . 1 . . . . . 237 GLY H . 50744 1 758 . 1 . 1 237 237 GLY CA C 13 44.641 0.014 . 1 . . . . . 237 GLY CA . 50744 1 759 . 1 . 1 237 237 GLY N N 15 111.246 0.020 . 1 . . . . . 237 GLY N . 50744 1 760 . 1 . 1 238 238 GLU H H 1 7.995 0.001 . 1 . . . . . 238 GLU H . 50744 1 761 . 1 . 1 238 238 GLU CA C 13 55.848 0.007 . 1 . . . . . 238 GLU CA . 50744 1 762 . 1 . 1 238 238 GLU CB C 13 30.031 0.027 . 1 . . . . . 238 GLU CB . 50744 1 763 . 1 . 1 238 238 GLU N N 15 121.071 0.005 . 1 . . . . . 238 GLU N . 50744 1 764 . 1 . 1 239 239 GLU H H 1 7.941 0.001 . 1 . . . . . 239 GLU H . 50744 1 765 . 1 . 1 239 239 GLU CA C 13 57.919 0.000 . 1 . . . . . 239 GLU CA . 50744 1 766 . 1 . 1 239 239 GLU CB C 13 30.428 0.000 . 1 . . . . . 239 GLU CB . 50744 1 767 . 1 . 1 239 239 GLU N N 15 127.241 0.005 . 1 . . . . . 239 GLU N . 50744 1 stop_ save_