data_53602 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53602 _Entry.Title ; HC-Fab Adalimumab ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-04 _Entry.Accession_date 2026-03-04 _Entry.Last_release_date 2026-03-04 _Entry.Original_release_date 2026-03-04 _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 'Resonance assignment of the fab fragment of the heavy chain of adalimumab' _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 Donald Gagne . . . . 53602 2 Yves Aubin . . . . 53602 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre for Oncology, Radiopharmaceuticals and Research, Biologics and Radiotherapeutic Drugs Directorate, Health Canada' . 53602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 671 53602 '15N chemical shifts' 189 53602 '1H chemical shifts' 486 53602 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-03-31 . original BMRB . 53602 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53602 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; HC-Fab Adalimumab ; _Citation.Status na _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Donald Gagne . . . . 53602 1 2 Yves Aubin . . . . 53602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53602 _Assembly.ID 1 _Assembly.Name 'HC-Fab Adalimumab' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 1 1 $entity_1 . . yes native no no . . '2H13C15N labeled fragment' 53602 1 2 2 2 $entity_2 . . no native no no . . 'non labeled fragment' 53602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53602 _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 ; MEVQLVESGGGLVQPGRSLR LSCAASGFTFDDYAMHWVRQ APGKGLEWVSAITWNSGHID YADSVEGRFTISRDNAKNSL YLQMNSLRAEDTAVYYCAKV SYLSTASSLDYWGQGTLVTV SSASTKGPSVFPLAPSSKST SGGTAALGCLVKDYFPEPVT VSWNSGALTSGVHTFPAVLQ SSGLYSLSSVVTVPSSSLGT QTYICNVNHKPSNTKVDKKV EPKSCDKTH ; _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 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 53602 1 2 1 GLU . 53602 1 3 2 VAL . 53602 1 4 3 GLN . 53602 1 5 4 LEU . 53602 1 6 5 VAL . 53602 1 7 6 GLU . 53602 1 8 7 SER . 53602 1 9 8 GLY . 53602 1 10 9 GLY . 53602 1 11 10 GLY . 53602 1 12 11 LEU . 53602 1 13 12 VAL . 53602 1 14 13 GLN . 53602 1 15 14 PRO . 53602 1 16 15 GLY . 53602 1 17 16 ARG . 53602 1 18 17 SER . 53602 1 19 18 LEU . 53602 1 20 19 ARG . 53602 1 21 20 LEU . 53602 1 22 21 SER . 53602 1 23 22 CYS . 53602 1 24 23 ALA . 53602 1 25 24 ALA . 53602 1 26 25 SER . 53602 1 27 26 GLY . 53602 1 28 27 PHE . 53602 1 29 28 THR . 53602 1 30 29 PHE . 53602 1 31 30 ASP . 53602 1 32 31 ASP . 53602 1 33 32 TYR . 53602 1 34 33 ALA . 53602 1 35 34 MET . 53602 1 36 35 HIS . 53602 1 37 36 TRP . 53602 1 38 37 VAL . 53602 1 39 38 ARG . 53602 1 40 39 GLN . 53602 1 41 40 ALA . 53602 1 42 41 PRO . 53602 1 43 42 GLY . 53602 1 44 43 LYS . 53602 1 45 44 GLY . 53602 1 46 45 LEU . 53602 1 47 46 GLU . 53602 1 48 47 TRP . 53602 1 49 48 VAL . 53602 1 50 49 SER . 53602 1 51 50 ALA . 53602 1 52 51 ILE . 53602 1 53 52 THR . 53602 1 54 53 TRP . 53602 1 55 54 ASN . 53602 1 56 55 SER . 53602 1 57 56 GLY . 53602 1 58 57 HIS . 53602 1 59 58 ILE . 53602 1 60 59 ASP . 53602 1 61 60 TYR . 53602 1 62 61 ALA . 53602 1 63 62 ASP . 53602 1 64 63 SER . 53602 1 65 64 VAL . 53602 1 66 65 GLU . 53602 1 67 66 GLY . 53602 1 68 67 ARG . 53602 1 69 68 PHE . 53602 1 70 69 THR . 53602 1 71 70 ILE . 53602 1 72 71 SER . 53602 1 73 72 ARG . 53602 1 74 73 ASP . 53602 1 75 74 ASN . 53602 1 76 75 ALA . 53602 1 77 76 LYS . 53602 1 78 77 ASN . 53602 1 79 78 SER . 53602 1 80 79 LEU . 53602 1 81 80 TYR . 53602 1 82 81 LEU . 53602 1 83 82 GLN . 53602 1 84 83 MET . 53602 1 85 84 ASN . 53602 1 86 85 SER . 53602 1 87 86 LEU . 53602 1 88 87 ARG . 53602 1 89 88 ALA . 53602 1 90 89 GLU . 53602 1 91 90 ASP . 53602 1 92 91 THR . 53602 1 93 92 ALA . 53602 1 94 93 VAL . 53602 1 95 94 TYR . 53602 1 96 95 TYR . 53602 1 97 96 CYS . 53602 1 98 97 ALA . 53602 1 99 98 LYS . 53602 1 100 99 VAL . 53602 1 101 100 SER . 53602 1 102 101 TYR . 53602 1 103 102 LEU . 53602 1 104 103 SER . 53602 1 105 104 THR . 53602 1 106 105 ALA . 53602 1 107 106 SER . 53602 1 108 107 SER . 53602 1 109 108 LEU . 53602 1 110 109 ASP . 53602 1 111 110 TYR . 53602 1 112 111 TRP . 53602 1 113 112 GLY . 53602 1 114 113 GLN . 53602 1 115 114 GLY . 53602 1 116 115 THR . 53602 1 117 116 LEU . 53602 1 118 117 VAL . 53602 1 119 118 THR . 53602 1 120 119 VAL . 53602 1 121 120 SER . 53602 1 122 121 SER . 53602 1 123 122 ALA . 53602 1 124 123 SER . 53602 1 125 124 THR . 53602 1 126 125 LYS . 53602 1 127 126 GLY . 53602 1 128 127 PRO . 53602 1 129 128 SER . 53602 1 130 129 VAL . 53602 1 131 130 PHE . 53602 1 132 131 PRO . 53602 1 133 132 LEU . 53602 1 134 133 ALA . 53602 1 135 134 PRO . 53602 1 136 135 SER . 53602 1 137 136 SER . 53602 1 138 137 LYS . 53602 1 139 138 SER . 53602 1 140 139 THR . 53602 1 141 140 SER . 53602 1 142 141 GLY . 53602 1 143 142 GLY . 53602 1 144 143 THR . 53602 1 145 144 ALA . 53602 1 146 145 ALA . 53602 1 147 146 LEU . 53602 1 148 147 GLY . 53602 1 149 148 CYS . 53602 1 150 149 LEU . 53602 1 151 150 VAL . 53602 1 152 151 LYS . 53602 1 153 152 ASP . 53602 1 154 153 TYR . 53602 1 155 154 PHE . 53602 1 156 155 PRO . 53602 1 157 156 GLU . 53602 1 158 157 PRO . 53602 1 159 158 VAL . 53602 1 160 159 THR . 53602 1 161 160 VAL . 53602 1 162 161 SER . 53602 1 163 162 TRP . 53602 1 164 163 ASN . 53602 1 165 164 SER . 53602 1 166 165 GLY . 53602 1 167 166 ALA . 53602 1 168 167 LEU . 53602 1 169 168 THR . 53602 1 170 169 SER . 53602 1 171 170 GLY . 53602 1 172 171 VAL . 53602 1 173 172 HIS . 53602 1 174 173 THR . 53602 1 175 174 PHE . 53602 1 176 175 PRO . 53602 1 177 176 ALA . 53602 1 178 177 VAL . 53602 1 179 178 LEU . 53602 1 180 179 GLN . 53602 1 181 180 SER . 53602 1 182 181 SER . 53602 1 183 182 GLY . 53602 1 184 183 LEU . 53602 1 185 184 TYR . 53602 1 186 185 SER . 53602 1 187 186 LEU . 53602 1 188 187 SER . 53602 1 189 188 SER . 53602 1 190 189 VAL . 53602 1 191 190 VAL . 53602 1 192 191 THR . 53602 1 193 192 VAL . 53602 1 194 193 PRO . 53602 1 195 194 SER . 53602 1 196 195 SER . 53602 1 197 196 SER . 53602 1 198 197 LEU . 53602 1 199 198 GLY . 53602 1 200 199 THR . 53602 1 201 200 GLN . 53602 1 202 201 THR . 53602 1 203 202 TYR . 53602 1 204 203 ILE . 53602 1 205 204 CYS . 53602 1 206 205 ASN . 53602 1 207 206 VAL . 53602 1 208 207 ASN . 53602 1 209 208 HIS . 53602 1 210 209 LYS . 53602 1 211 210 PRO . 53602 1 212 211 SER . 53602 1 213 212 ASN . 53602 1 214 213 THR . 53602 1 215 214 LYS . 53602 1 216 215 VAL . 53602 1 217 216 ASP . 53602 1 218 217 LYS . 53602 1 219 218 LYS . 53602 1 220 219 VAL . 53602 1 221 220 GLU . 53602 1 222 221 PRO . 53602 1 223 222 LYS . 53602 1 224 223 SER . 53602 1 225 224 CYS . 53602 1 226 225 ASP . 53602 1 227 226 LYS . 53602 1 228 227 THR . 53602 1 229 228 HIS . 53602 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 53602 1 . GLU 2 2 53602 1 . VAL 3 3 53602 1 . GLN 4 4 53602 1 . LEU 5 5 53602 1 . VAL 6 6 53602 1 . GLU 7 7 53602 1 . SER 8 8 53602 1 . GLY 9 9 53602 1 . GLY 10 10 53602 1 . GLY 11 11 53602 1 . LEU 12 12 53602 1 . VAL 13 13 53602 1 . GLN 14 14 53602 1 . PRO 15 15 53602 1 . GLY 16 16 53602 1 . ARG 17 17 53602 1 . SER 18 18 53602 1 . LEU 19 19 53602 1 . ARG 20 20 53602 1 . LEU 21 21 53602 1 . SER 22 22 53602 1 . CYS 23 23 53602 1 . ALA 24 24 53602 1 . ALA 25 25 53602 1 . SER 26 26 53602 1 . GLY 27 27 53602 1 . PHE 28 28 53602 1 . THR 29 29 53602 1 . PHE 30 30 53602 1 . ASP 31 31 53602 1 . ASP 32 32 53602 1 . TYR 33 33 53602 1 . ALA 34 34 53602 1 . MET 35 35 53602 1 . HIS 36 36 53602 1 . TRP 37 37 53602 1 . VAL 38 38 53602 1 . ARG 39 39 53602 1 . GLN 40 40 53602 1 . ALA 41 41 53602 1 . PRO 42 42 53602 1 . GLY 43 43 53602 1 . LYS 44 44 53602 1 . GLY 45 45 53602 1 . LEU 46 46 53602 1 . GLU 47 47 53602 1 . TRP 48 48 53602 1 . VAL 49 49 53602 1 . SER 50 50 53602 1 . ALA 51 51 53602 1 . ILE 52 52 53602 1 . THR 53 53 53602 1 . TRP 54 54 53602 1 . ASN 55 55 53602 1 . SER 56 56 53602 1 . GLY 57 57 53602 1 . HIS 58 58 53602 1 . ILE 59 59 53602 1 . ASP 60 60 53602 1 . TYR 61 61 53602 1 . ALA 62 62 53602 1 . ASP 63 63 53602 1 . SER 64 64 53602 1 . VAL 65 65 53602 1 . GLU 66 66 53602 1 . GLY 67 67 53602 1 . ARG 68 68 53602 1 . PHE 69 69 53602 1 . THR 70 70 53602 1 . ILE 71 71 53602 1 . SER 72 72 53602 1 . ARG 73 73 53602 1 . ASP 74 74 53602 1 . ASN 75 75 53602 1 . ALA 76 76 53602 1 . LYS 77 77 53602 1 . ASN 78 78 53602 1 . SER 79 79 53602 1 . LEU 80 80 53602 1 . TYR 81 81 53602 1 . LEU 82 82 53602 1 . GLN 83 83 53602 1 . MET 84 84 53602 1 . ASN 85 85 53602 1 . SER 86 86 53602 1 . LEU 87 87 53602 1 . ARG 88 88 53602 1 . ALA 89 89 53602 1 . GLU 90 90 53602 1 . ASP 91 91 53602 1 . THR 92 92 53602 1 . ALA 93 93 53602 1 . VAL 94 94 53602 1 . TYR 95 95 53602 1 . TYR 96 96 53602 1 . CYS 97 97 53602 1 . ALA 98 98 53602 1 . LYS 99 99 53602 1 . VAL 100 100 53602 1 . SER 101 101 53602 1 . TYR 102 102 53602 1 . LEU 103 103 53602 1 . SER 104 104 53602 1 . THR 105 105 53602 1 . ALA 106 106 53602 1 . SER 107 107 53602 1 . SER 108 108 53602 1 . LEU 109 109 53602 1 . ASP 110 110 53602 1 . TYR 111 111 53602 1 . TRP 112 112 53602 1 . GLY 113 113 53602 1 . GLN 114 114 53602 1 . GLY 115 115 53602 1 . THR 116 116 53602 1 . LEU 117 117 53602 1 . VAL 118 118 53602 1 . THR 119 119 53602 1 . VAL 120 120 53602 1 . SER 121 121 53602 1 . SER 122 122 53602 1 . ALA 123 123 53602 1 . SER 124 124 53602 1 . THR 125 125 53602 1 . LYS 126 126 53602 1 . GLY 127 127 53602 1 . PRO 128 128 53602 1 . SER 129 129 53602 1 . VAL 130 130 53602 1 . PHE 131 131 53602 1 . PRO 132 132 53602 1 . LEU 133 133 53602 1 . ALA 134 134 53602 1 . PRO 135 135 53602 1 . SER 136 136 53602 1 . SER 137 137 53602 1 . LYS 138 138 53602 1 . SER 139 139 53602 1 . THR 140 140 53602 1 . SER 141 141 53602 1 . GLY 142 142 53602 1 . GLY 143 143 53602 1 . THR 144 144 53602 1 . ALA 145 145 53602 1 . ALA 146 146 53602 1 . LEU 147 147 53602 1 . GLY 148 148 53602 1 . CYS 149 149 53602 1 . LEU 150 150 53602 1 . VAL 151 151 53602 1 . LYS 152 152 53602 1 . ASP 153 153 53602 1 . TYR 154 154 53602 1 . PHE 155 155 53602 1 . PRO 156 156 53602 1 . GLU 157 157 53602 1 . PRO 158 158 53602 1 . VAL 159 159 53602 1 . THR 160 160 53602 1 . VAL 161 161 53602 1 . SER 162 162 53602 1 . TRP 163 163 53602 1 . ASN 164 164 53602 1 . SER 165 165 53602 1 . GLY 166 166 53602 1 . ALA 167 167 53602 1 . LEU 168 168 53602 1 . THR 169 169 53602 1 . SER 170 170 53602 1 . GLY 171 171 53602 1 . VAL 172 172 53602 1 . HIS 173 173 53602 1 . THR 174 174 53602 1 . PHE 175 175 53602 1 . PRO 176 176 53602 1 . ALA 177 177 53602 1 . VAL 178 178 53602 1 . LEU 179 179 53602 1 . GLN 180 180 53602 1 . SER 181 181 53602 1 . SER 182 182 53602 1 . GLY 183 183 53602 1 . LEU 184 184 53602 1 . TYR 185 185 53602 1 . SER 186 186 53602 1 . LEU 187 187 53602 1 . SER 188 188 53602 1 . SER 189 189 53602 1 . VAL 190 190 53602 1 . VAL 191 191 53602 1 . THR 192 192 53602 1 . VAL 193 193 53602 1 . PRO 194 194 53602 1 . SER 195 195 53602 1 . SER 196 196 53602 1 . SER 197 197 53602 1 . LEU 198 198 53602 1 . GLY 199 199 53602 1 . THR 200 200 53602 1 . GLN 201 201 53602 1 . THR 202 202 53602 1 . TYR 203 203 53602 1 . ILE 204 204 53602 1 . CYS 205 205 53602 1 . ASN 206 206 53602 1 . VAL 207 207 53602 1 . ASN 208 208 53602 1 . HIS 209 209 53602 1 . LYS 210 210 53602 1 . PRO 211 211 53602 1 . SER 212 212 53602 1 . ASN 213 213 53602 1 . THR 214 214 53602 1 . LYS 215 215 53602 1 . VAL 216 216 53602 1 . ASP 217 217 53602 1 . LYS 218 218 53602 1 . LYS 219 219 53602 1 . VAL 220 220 53602 1 . GLU 221 221 53602 1 . PRO 222 222 53602 1 . LYS 223 223 53602 1 . SER 224 224 53602 1 . CYS 225 225 53602 1 . ASP 226 226 53602 1 . LYS 227 227 53602 1 . THR 228 228 53602 1 . HIS 229 229 53602 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53602 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MDIQMTQSPSSLSASVGDRV TITCRASQGIRNYLAWYQQK PGKAPKLLIYAASTLQSGVP SRFSGSGSGTDFTLTISSLQ PEDVATYYCQRYNRAPYTFG QGTKVEIKRTVAAPSVFIFP PSDEQLKSGTASVVCLLNNF YPREAKVQWKVDNALQSGNS QESVTEQDSKDSTYSLSSTL TLSKADYEKHKVYACEVTHQ GLSSPVTKSFNRGEC ; _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 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 53602 2 2 . ASP . 53602 2 3 . ILE . 53602 2 4 . GLN . 53602 2 5 . MET . 53602 2 6 . THR . 53602 2 7 . GLN . 53602 2 8 . SER . 53602 2 9 . PRO . 53602 2 10 . SER . 53602 2 11 . SER . 53602 2 12 . LEU . 53602 2 13 . SER . 53602 2 14 . ALA . 53602 2 15 . SER . 53602 2 16 . VAL . 53602 2 17 . GLY . 53602 2 18 . ASP . 53602 2 19 . ARG . 53602 2 20 . VAL . 53602 2 21 . THR . 53602 2 22 . ILE . 53602 2 23 . THR . 53602 2 24 . CYS . 53602 2 25 . ARG . 53602 2 26 . ALA . 53602 2 27 . SER . 53602 2 28 . GLN . 53602 2 29 . GLY . 53602 2 30 . ILE . 53602 2 31 . ARG . 53602 2 32 . ASN . 53602 2 33 . TYR . 53602 2 34 . LEU . 53602 2 35 . ALA . 53602 2 36 . TRP . 53602 2 37 . TYR . 53602 2 38 . GLN . 53602 2 39 . GLN . 53602 2 40 . LYS . 53602 2 41 . PRO . 53602 2 42 . GLY . 53602 2 43 . LYS . 53602 2 44 . ALA . 53602 2 45 . PRO . 53602 2 46 . LYS . 53602 2 47 . LEU . 53602 2 48 . LEU . 53602 2 49 . ILE . 53602 2 50 . TYR . 53602 2 51 . ALA . 53602 2 52 . ALA . 53602 2 53 . SER . 53602 2 54 . THR . 53602 2 55 . LEU . 53602 2 56 . GLN . 53602 2 57 . SER . 53602 2 58 . GLY . 53602 2 59 . VAL . 53602 2 60 . PRO . 53602 2 61 . SER . 53602 2 62 . ARG . 53602 2 63 . PHE . 53602 2 64 . SER . 53602 2 65 . GLY . 53602 2 66 . SER . 53602 2 67 . GLY . 53602 2 68 . SER . 53602 2 69 . GLY . 53602 2 70 . THR . 53602 2 71 . ASP . 53602 2 72 . PHE . 53602 2 73 . THR . 53602 2 74 . LEU . 53602 2 75 . THR . 53602 2 76 . ILE . 53602 2 77 . SER . 53602 2 78 . SER . 53602 2 79 . LEU . 53602 2 80 . GLN . 53602 2 81 . PRO . 53602 2 82 . GLU . 53602 2 83 . ASP . 53602 2 84 . VAL . 53602 2 85 . ALA . 53602 2 86 . THR . 53602 2 87 . TYR . 53602 2 88 . TYR . 53602 2 89 . CYS . 53602 2 90 . GLN . 53602 2 91 . ARG . 53602 2 92 . TYR . 53602 2 93 . ASN . 53602 2 94 . ARG . 53602 2 95 . ALA . 53602 2 96 . PRO . 53602 2 97 . TYR . 53602 2 98 . THR . 53602 2 99 . PHE . 53602 2 100 . GLY . 53602 2 101 . GLN . 53602 2 102 . GLY . 53602 2 103 . THR . 53602 2 104 . LYS . 53602 2 105 . VAL . 53602 2 106 . GLU . 53602 2 107 . ILE . 53602 2 108 . LYS . 53602 2 109 . ARG . 53602 2 110 . THR . 53602 2 111 . VAL . 53602 2 112 . ALA . 53602 2 113 . ALA . 53602 2 114 . PRO . 53602 2 115 . SER . 53602 2 116 . VAL . 53602 2 117 . PHE . 53602 2 118 . ILE . 53602 2 119 . PHE . 53602 2 120 . PRO . 53602 2 121 . PRO . 53602 2 122 . SER . 53602 2 123 . ASP . 53602 2 124 . GLU . 53602 2 125 . GLN . 53602 2 126 . LEU . 53602 2 127 . LYS . 53602 2 128 . SER . 53602 2 129 . GLY . 53602 2 130 . THR . 53602 2 131 . ALA . 53602 2 132 . SER . 53602 2 133 . VAL . 53602 2 134 . VAL . 53602 2 135 . CYS . 53602 2 136 . LEU . 53602 2 137 . LEU . 53602 2 138 . ASN . 53602 2 139 . ASN . 53602 2 140 . PHE . 53602 2 141 . TYR . 53602 2 142 . PRO . 53602 2 143 . ARG . 53602 2 144 . GLU . 53602 2 145 . ALA . 53602 2 146 . LYS . 53602 2 147 . VAL . 53602 2 148 . GLN . 53602 2 149 . TRP . 53602 2 150 . LYS . 53602 2 151 . VAL . 53602 2 152 . ASP . 53602 2 153 . ASN . 53602 2 154 . ALA . 53602 2 155 . LEU . 53602 2 156 . GLN . 53602 2 157 . SER . 53602 2 158 . GLY . 53602 2 159 . ASN . 53602 2 160 . SER . 53602 2 161 . GLN . 53602 2 162 . GLU . 53602 2 163 . SER . 53602 2 164 . VAL . 53602 2 165 . THR . 53602 2 166 . GLU . 53602 2 167 . GLN . 53602 2 168 . ASP . 53602 2 169 . SER . 53602 2 170 . LYS . 53602 2 171 . ASP . 53602 2 172 . SER . 53602 2 173 . THR . 53602 2 174 . TYR . 53602 2 175 . SER . 53602 2 176 . LEU . 53602 2 177 . SER . 53602 2 178 . SER . 53602 2 179 . THR . 53602 2 180 . LEU . 53602 2 181 . THR . 53602 2 182 . LEU . 53602 2 183 . SER . 53602 2 184 . LYS . 53602 2 185 . ALA . 53602 2 186 . ASP . 53602 2 187 . TYR . 53602 2 188 . GLU . 53602 2 189 . LYS . 53602 2 190 . HIS . 53602 2 191 . LYS . 53602 2 192 . VAL . 53602 2 193 . TYR . 53602 2 194 . ALA . 53602 2 195 . CYS . 53602 2 196 . GLU . 53602 2 197 . VAL . 53602 2 198 . THR . 53602 2 199 . HIS . 53602 2 200 . GLN . 53602 2 201 . GLY . 53602 2 202 . LEU . 53602 2 203 . SER . 53602 2 204 . SER . 53602 2 205 . PRO . 53602 2 206 . VAL . 53602 2 207 . THR . 53602 2 208 . LYS . 53602 2 209 . SER . 53602 2 210 . PHE . 53602 2 211 . ASN . 53602 2 212 . ARG . 53602 2 213 . GLY . 53602 2 214 . GLU . 53602 2 215 . CYS . 53602 2 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 53602 2 . ASP 2 2 53602 2 . ILE 3 3 53602 2 . GLN 4 4 53602 2 . MET 5 5 53602 2 . THR 6 6 53602 2 . GLN 7 7 53602 2 . SER 8 8 53602 2 . PRO 9 9 53602 2 . SER 10 10 53602 2 . SER 11 11 53602 2 . LEU 12 12 53602 2 . SER 13 13 53602 2 . ALA 14 14 53602 2 . SER 15 15 53602 2 . VAL 16 16 53602 2 . GLY 17 17 53602 2 . ASP 18 18 53602 2 . ARG 19 19 53602 2 . VAL 20 20 53602 2 . THR 21 21 53602 2 . ILE 22 22 53602 2 . THR 23 23 53602 2 . CYS 24 24 53602 2 . ARG 25 25 53602 2 . ALA 26 26 53602 2 . SER 27 27 53602 2 . GLN 28 28 53602 2 . GLY 29 29 53602 2 . ILE 30 30 53602 2 . ARG 31 31 53602 2 . ASN 32 32 53602 2 . TYR 33 33 53602 2 . LEU 34 34 53602 2 . ALA 35 35 53602 2 . TRP 36 36 53602 2 . TYR 37 37 53602 2 . GLN 38 38 53602 2 . GLN 39 39 53602 2 . LYS 40 40 53602 2 . PRO 41 41 53602 2 . GLY 42 42 53602 2 . LYS 43 43 53602 2 . ALA 44 44 53602 2 . PRO 45 45 53602 2 . LYS 46 46 53602 2 . LEU 47 47 53602 2 . LEU 48 48 53602 2 . ILE 49 49 53602 2 . TYR 50 50 53602 2 . ALA 51 51 53602 2 . ALA 52 52 53602 2 . SER 53 53 53602 2 . THR 54 54 53602 2 . LEU 55 55 53602 2 . GLN 56 56 53602 2 . SER 57 57 53602 2 . GLY 58 58 53602 2 . VAL 59 59 53602 2 . PRO 60 60 53602 2 . SER 61 61 53602 2 . ARG 62 62 53602 2 . PHE 63 63 53602 2 . SER 64 64 53602 2 . GLY 65 65 53602 2 . SER 66 66 53602 2 . GLY 67 67 53602 2 . SER 68 68 53602 2 . GLY 69 69 53602 2 . THR 70 70 53602 2 . ASP 71 71 53602 2 . PHE 72 72 53602 2 . THR 73 73 53602 2 . LEU 74 74 53602 2 . THR 75 75 53602 2 . ILE 76 76 53602 2 . SER 77 77 53602 2 . SER 78 78 53602 2 . LEU 79 79 53602 2 . GLN 80 80 53602 2 . PRO 81 81 53602 2 . GLU 82 82 53602 2 . ASP 83 83 53602 2 . VAL 84 84 53602 2 . ALA 85 85 53602 2 . THR 86 86 53602 2 . TYR 87 87 53602 2 . TYR 88 88 53602 2 . CYS 89 89 53602 2 . GLN 90 90 53602 2 . ARG 91 91 53602 2 . TYR 92 92 53602 2 . ASN 93 93 53602 2 . ARG 94 94 53602 2 . ALA 95 95 53602 2 . PRO 96 96 53602 2 . TYR 97 97 53602 2 . THR 98 98 53602 2 . PHE 99 99 53602 2 . GLY 100 100 53602 2 . GLN 101 101 53602 2 . GLY 102 102 53602 2 . THR 103 103 53602 2 . LYS 104 104 53602 2 . VAL 105 105 53602 2 . GLU 106 106 53602 2 . ILE 107 107 53602 2 . LYS 108 108 53602 2 . ARG 109 109 53602 2 . THR 110 110 53602 2 . VAL 111 111 53602 2 . ALA 112 112 53602 2 . ALA 113 113 53602 2 . PRO 114 114 53602 2 . SER 115 115 53602 2 . VAL 116 116 53602 2 . PHE 117 117 53602 2 . ILE 118 118 53602 2 . PHE 119 119 53602 2 . PRO 120 120 53602 2 . PRO 121 121 53602 2 . SER 122 122 53602 2 . ASP 123 123 53602 2 . GLU 124 124 53602 2 . GLN 125 125 53602 2 . LEU 126 126 53602 2 . LYS 127 127 53602 2 . SER 128 128 53602 2 . GLY 129 129 53602 2 . THR 130 130 53602 2 . ALA 131 131 53602 2 . SER 132 132 53602 2 . VAL 133 133 53602 2 . VAL 134 134 53602 2 . CYS 135 135 53602 2 . LEU 136 136 53602 2 . LEU 137 137 53602 2 . ASN 138 138 53602 2 . ASN 139 139 53602 2 . PHE 140 140 53602 2 . TYR 141 141 53602 2 . PRO 142 142 53602 2 . ARG 143 143 53602 2 . GLU 144 144 53602 2 . ALA 145 145 53602 2 . LYS 146 146 53602 2 . VAL 147 147 53602 2 . GLN 148 148 53602 2 . TRP 149 149 53602 2 . LYS 150 150 53602 2 . VAL 151 151 53602 2 . ASP 152 152 53602 2 . ASN 153 153 53602 2 . ALA 154 154 53602 2 . LEU 155 155 53602 2 . GLN 156 156 53602 2 . SER 157 157 53602 2 . GLY 158 158 53602 2 . ASN 159 159 53602 2 . SER 160 160 53602 2 . GLN 161 161 53602 2 . GLU 162 162 53602 2 . SER 163 163 53602 2 . VAL 164 164 53602 2 . THR 165 165 53602 2 . GLU 166 166 53602 2 . GLN 167 167 53602 2 . ASP 168 168 53602 2 . SER 169 169 53602 2 . LYS 170 170 53602 2 . ASP 171 171 53602 2 . SER 172 172 53602 2 . THR 173 173 53602 2 . TYR 174 174 53602 2 . SER 175 175 53602 2 . LEU 176 176 53602 2 . SER 177 177 53602 2 . SER 178 178 53602 2 . THR 179 179 53602 2 . LEU 180 180 53602 2 . THR 181 181 53602 2 . LEU 182 182 53602 2 . SER 183 183 53602 2 . LYS 184 184 53602 2 . ALA 185 185 53602 2 . ASP 186 186 53602 2 . TYR 187 187 53602 2 . GLU 188 188 53602 2 . LYS 189 189 53602 2 . HIS 190 190 53602 2 . LYS 191 191 53602 2 . VAL 192 192 53602 2 . TYR 193 193 53602 2 . ALA 194 194 53602 2 . CYS 195 195 53602 2 . GLU 196 196 53602 2 . VAL 197 197 53602 2 . THR 198 198 53602 2 . HIS 199 199 53602 2 . GLN 200 200 53602 2 . GLY 201 201 53602 2 . LEU 202 202 53602 2 . SER 203 203 53602 2 . SER 204 204 53602 2 . PRO 205 205 53602 2 . VAL 206 206 53602 2 . THR 207 207 53602 2 . LYS 208 208 53602 2 . SER 209 209 53602 2 . PHE 210 210 53602 2 . ASN 211 211 53602 2 . ARG 212 212 53602 2 . GLY 213 213 53602 2 . GLU 214 214 53602 2 . CYS 215 215 53602 2 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 53602 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53602 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53602 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 53602 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 53602 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 53602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53602 _Sample.ID 1 _Sample.Name DG2-298 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Fab fragment of the Heavy Chain (HC-Fab)' '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' . . 1 $entity_1 . . 580 . . uM . . . . 53602 1 2 'Light Chain (LC)' 'natural abundance' . . 2 $entity_2 . . 580 . . uM . . . . 53602 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 53602 1 4 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 53602 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 53602 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_condition_list1 _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 5.0 . pH 53602 1 temperature 313 . K 53602 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53602 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53602 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53602 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53602 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53602 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53602 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53602 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz Avance Neo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53602 _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 '3D HNCO' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 2 '3D HNCACB' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 3 '3D HN(CO)CACB' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 4 '3D HNCA' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 5 '3D HN(CO)CA' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 6 '3D HN(CA)CO' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 7 '3D CCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 8 '3D HCCH-TOCSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 9 '2D 1H-15N TROSY' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53602 1 10 '2D 1H-15N HSQC' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53602 1 11 '2D 1H-13C HSQC' yes no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53602 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '3D HNCO' hnco.zip . 'NMR experiment directory' . . 53602 1 2 '3D HNCACB' hncacb.zip . 'NMR experiment directory' . . 53602 1 3 '3D HN(CO)CACB' hncocacb.zip . 'NMR experiment directory' . . 53602 1 4 '3D HNCA' hnca.zip . 'NMR experiment directory' . . 53602 1 5 '3D HN(CO)CA' hncoca.zip . 'NMR experiment directory' . . 53602 1 6 '3D HN(CA)CO' hncaco.zip . 'NMR experiment directory' . . 53602 1 7 '3D CCH-TOCSY' ccc_tocsy.zip . 'NMR experiment directory' . . 53602 1 8 '3D HCCH-TOCSY' hcc_tocsy.zip . 'NMR experiment directory' . . 53602 1 9 '2D 1H-15N TROSY' trosy.zip . 'NMR experiment directory' . . 53602 1 10 '2D 1H-15N HSQC' Nhsqc.zip . 'NMR experiment directory' . . 53602 1 11 '2D 1H-13C HSQC' Chsqc.zip . 'NMR experiment directory' . . 53602 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 53602 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference1 _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 na 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 53602 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . 53602 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 53602 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 53602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chem_shift_list1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 53602 1 2 '3D HNCACB' . . . 53602 1 3 '3D HN(CO)CACB' . . . 53602 1 4 '3D HNCA' . . . 53602 1 5 '3D HN(CO)CA' . . . 53602 1 6 '3D HN(CA)CO' . . . 53602 1 7 '3D CCH-TOCSY' . . . 53602 1 8 '3D HCCH-TOCSY' . . . 53602 1 9 '2D 1H-15N TROSY' . . . 53602 1 10 '2D 1H-15N HSQC' . . . 53602 1 11 '2D 1H-13C HSQC' . . . 53602 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53602 1 2 $software_2 . . 53602 1 3 $software_3 . . 53602 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLU C C 13 175.1267 0.0000 . 1 . . 57206 . . 1 GLU C . 53602 1 2 . 1 . 1 2 2 GLU CA C 13 55.2626 0.0000 . 1 . . 20890 . . 1 GLU CA . 53602 1 3 . 1 . 1 2 2 GLU CB C 13 30.2025 0.0000 . 1 . . 32331 . . 1 GLU CB . 53602 1 4 . 1 . 1 3 3 VAL H H 1 7.7430 0.0000 . 1 . . 19794 . . 2 VAL H . 53602 1 5 . 1 . 1 3 3 VAL HG11 H 1 1.1640 0.0000 . 2 . . . . . 2 VAL HG11 . 53602 1 6 . 1 . 1 3 3 VAL HG12 H 1 1.1640 0.0000 . 2 . . . . . 2 VAL HG11 . 53602 1 7 . 1 . 1 3 3 VAL HG13 H 1 1.1640 0.0000 . 2 . . . . . 2 VAL HG11 . 53602 1 8 . 1 . 1 3 3 VAL HG21 H 1 1.1340 0.0000 . 2 . . . . . 2 VAL HG21 . 53602 1 9 . 1 . 1 3 3 VAL HG22 H 1 1.1340 0.0000 . 2 . . . . . 2 VAL HG21 . 53602 1 10 . 1 . 1 3 3 VAL HG23 H 1 1.1340 0.0000 . 2 . . . . . 2 VAL HG21 . 53602 1 11 . 1 . 1 3 3 VAL C C 13 175.6361 0.0000 . 1 . . 57340 . . 2 VAL C . 53602 1 12 . 1 . 1 3 3 VAL CA C 13 62.8278 0.0000 . 1 . . 30521 . . 2 VAL CA . 53602 1 13 . 1 . 1 3 3 VAL CB C 13 31.2545 0.0000 . 1 . . 57352 . . 2 VAL CB . 53602 1 14 . 1 . 1 3 3 VAL CG1 C 13 21.5560 0.0000 . 2 . . 66193 . . 2 VAL CG1 . 53602 1 15 . 1 . 1 3 3 VAL CG2 C 13 21.0410 0.0000 . 2 . . 66193 . . 2 VAL CG2 . 53602 1 16 . 1 . 1 3 3 VAL N N 15 123.8575 0.0000 . 1 . . 19796 . . 2 VAL N . 53602 1 17 . 1 . 1 4 4 GLN H H 1 8.3517 0.0000 . 1 . . 26847 . . 3 GLN H . 53602 1 18 . 1 . 1 4 4 GLN C C 13 173.8047 0.0000 . 1 . . 57213 . . 3 GLN C . 53602 1 19 . 1 . 1 4 4 GLN CA C 13 55.0734 0.0000 . 1 . . 30663 . . 3 GLN CA . 53602 1 20 . 1 . 1 4 4 GLN CB C 13 32.0007 0.0000 . 1 . . 57332 . . 3 GLN CB . 53602 1 21 . 1 . 1 4 4 GLN N N 15 125.2501 0.0000 . 1 . . 26849 . . 3 GLN N . 53602 1 22 . 1 . 1 5 5 LEU H H 1 8.1719 0.0000 . 1 . . 19695 . . 4 LEU H . 53602 1 23 . 1 . 1 5 5 LEU HD11 H 1 1.0430 0.0000 . 2 . . . . . 4 LEU HD11 . 53602 1 24 . 1 . 1 5 5 LEU HD12 H 1 1.0430 0.0000 . 2 . . . . . 4 LEU HD11 . 53602 1 25 . 1 . 1 5 5 LEU HD13 H 1 1.0430 0.0000 . 2 . . . . . 4 LEU HD11 . 53602 1 26 . 1 . 1 5 5 LEU HD21 H 1 1.0570 0.0000 . 2 . . . . . 4 LEU HD21 . 53602 1 27 . 1 . 1 5 5 LEU HD22 H 1 1.0570 0.0000 . 2 . . . . . 4 LEU HD21 . 53602 1 28 . 1 . 1 5 5 LEU HD23 H 1 1.0570 0.0000 . 2 . . . . . 4 LEU HD21 . 53602 1 29 . 1 . 1 5 5 LEU C C 13 175.9401 0.0000 . 1 . . 57137 . . 4 LEU C . 53602 1 30 . 1 . 1 5 5 LEU CA C 13 53.9612 0.0000 . 1 . . 57145 . . 4 LEU CA . 53602 1 31 . 1 . 1 5 5 LEU CB C 13 43.4008 0.0000 . 1 . . 57149 . . 4 LEU CB . 53602 1 32 . 1 . 1 5 5 LEU CD1 C 13 25.1190 0.0000 . 2 . . 65992 . . 4 LEU CD1 . 53602 1 33 . 1 . 1 5 5 LEU CD2 C 13 26.7940 0.0000 . 2 . . 65944 . . 4 LEU CD2 . 53602 1 34 . 1 . 1 5 5 LEU N N 15 125.1028 0.0000 . 1 . . 19697 . . 4 LEU N . 53602 1 35 . 1 . 1 6 6 VAL H H 1 9.0712 0.0000 . 1 . . 19515 . . 5 VAL H . 53602 1 36 . 1 . 1 6 6 VAL HG11 H 1 0.8790 0.0000 . 2 . . . . . 5 VAL HG11 . 53602 1 37 . 1 . 1 6 6 VAL HG12 H 1 0.8790 0.0000 . 2 . . . . . 5 VAL HG11 . 53602 1 38 . 1 . 1 6 6 VAL HG13 H 1 0.8790 0.0000 . 2 . . . . . 5 VAL HG11 . 53602 1 39 . 1 . 1 6 6 VAL HG21 H 1 0.7630 0.0000 . 2 . . . . . 5 VAL HG21 . 53602 1 40 . 1 . 1 6 6 VAL HG22 H 1 0.7630 0.0000 . 2 . . . . . 5 VAL HG21 . 53602 1 41 . 1 . 1 6 6 VAL HG23 H 1 0.7630 0.0000 . 2 . . . . . 5 VAL HG21 . 53602 1 42 . 1 . 1 6 6 VAL C C 13 172.2883 0.0000 . 1 . . 19516 . . 5 VAL C . 53602 1 43 . 1 . 1 6 6 VAL CA C 13 59.2852 0.0000 . 1 . . 20650 . . 5 VAL CA . 53602 1 44 . 1 . 1 6 6 VAL CB C 13 34.4094 0.0000 . 1 . . 26230 . . 5 VAL CB . 53602 1 45 . 1 . 1 6 6 VAL CG1 C 13 21.5410 0.0000 . 2 . . . . . 5 VAL CG1 . 53602 1 46 . 1 . 1 6 6 VAL CG2 C 13 20.9260 0.0000 . 2 . . . . . 5 VAL CG2 . 53602 1 47 . 1 . 1 6 6 VAL N N 15 127.4501 0.0000 . 1 . . 19517 . . 5 VAL N . 53602 1 48 . 1 . 1 7 7 GLU H H 1 7.9080 0.0000 . 1 . . 19779 . . 6 GLU H . 53602 1 49 . 1 . 1 7 7 GLU C C 13 176.7648 0.0000 . 1 . . 53902 . . 6 GLU C . 53602 1 50 . 1 . 1 7 7 GLU CA C 13 56.5295 0.0000 . 1 . . 54068 . . 6 GLU CA . 53602 1 51 . 1 . 1 7 7 GLU CB C 13 27.2215 0.0000 . 1 . . 26584 . . 6 GLU CB . 53602 1 52 . 1 . 1 7 7 GLU N N 15 123.9709 0.0000 . 1 . . 19781 . . 6 GLU N . 53602 1 53 . 1 . 1 8 8 SER H H 1 9.2905 0.0000 . 1 . . 53901 . . 7 SER H . 53602 1 54 . 1 . 1 8 8 SER C C 13 173.1884 0.0000 . 1 . . 57368 . . 7 SER C . 53602 1 55 . 1 . 1 8 8 SER CA C 13 57.6961 0.0000 . 1 . . 57374 . . 7 SER CA . 53602 1 56 . 1 . 1 8 8 SER CB C 13 65.4938 0.0000 . 1 . . 57378 . . 7 SER CB . 53602 1 57 . 1 . 1 8 8 SER N N 15 115.7736 0.0000 . 1 . . 53903 . . 7 SER N . 53602 1 58 . 1 . 1 9 9 GLY H H 1 8.3575 0.0000 . 1 . . 27336 . . 8 GLY H . 53602 1 59 . 1 . 1 9 9 GLY C C 13 174.3429 0.0000 . 1 . . 20497 . . 8 GLY C . 53602 1 60 . 1 . 1 9 9 GLY CA C 13 44.4040 0.0000 . 1 . . 21628 . . 8 GLY CA . 53602 1 61 . 1 . 1 9 9 GLY N N 15 108.2141 0.0000 . 1 . . 27338 . . 8 GLY N . 53602 1 62 . 1 . 1 10 10 GLY H H 1 7.4312 0.0000 . 1 . . 25803 . . 9 GLY H . 53602 1 63 . 1 . 1 10 10 GLY C C 13 172.7551 0.0000 . 1 . . 20530 . . 9 GLY C . 53602 1 64 . 1 . 1 10 10 GLY CA C 13 45.0206 0.0000 . 1 . . 25807 . . 9 GLY CA . 53602 1 65 . 1 . 1 10 10 GLY N N 15 106.1994 0.0000 . 1 . . 25805 . . 9 GLY N . 53602 1 66 . 1 . 1 11 11 GLY H H 1 7.2149 0.0000 . 1 . . 20490 . . 10 GLY H . 53602 1 67 . 1 . 1 11 11 GLY C C 13 171.0730 0.0000 . 1 . . 20494 . . 10 GLY C . 53602 1 68 . 1 . 1 11 11 GLY CA C 13 44.1226 0.0000 . 1 . . 21631 . . 10 GLY CA . 53602 1 69 . 1 . 1 11 11 GLY N N 15 108.3839 0.0000 . 1 . . 20492 . . 10 GLY N . 53602 1 70 . 1 . 1 12 12 LEU H H 1 8.1259 0.0000 . 1 . . 19848 . . 11 LEU H . 53602 1 71 . 1 . 1 12 12 LEU C C 13 175.9261 0.0000 . 1 . . 19825 . . 11 LEU C . 53602 1 72 . 1 . 1 12 12 LEU CA C 13 53.8396 0.0000 . 1 . . 25381 . . 11 LEU CA . 53602 1 73 . 1 . 1 12 12 LEU CB C 13 42.0096 0.0000 . 1 . . 33825 . . 11 LEU CB . 53602 1 74 . 1 . 1 12 12 LEU N N 15 123.3253 0.0000 . 1 . . 19850 . . 11 LEU N . 53602 1 75 . 1 . 1 15 15 PRO C C 13 177.5176 0.0000 . 1 . . 27277 . . 14 PRO C . 53602 1 76 . 1 . 1 15 15 PRO CA C 13 62.8666 0.0000 . 1 . . 21529 . . 14 PRO CA . 53602 1 77 . 1 . 1 15 15 PRO CB C 13 30.6193 0.0000 . 1 . . 21529 . . 14 PRO CB . 53602 1 78 . 1 . 1 16 16 GLY H H 1 9.6284 0.0000 . 1 . . 24408 . . 15 GLY H . 53602 1 79 . 1 . 1 16 16 GLY C C 13 174.8440 0.0000 . 1 . . 27016 . . 15 GLY C . 53602 1 80 . 1 . 1 16 16 GLY CA C 13 44.5394 0.0000 . 1 . . 21100 . . 15 GLY CA . 53602 1 81 . 1 . 1 16 16 GLY N N 15 112.3154 0.0000 . 1 . . 24410 . . 15 GLY N . 53602 1 82 . 1 . 1 17 17 ARG H H 1 7.4757 0.0000 . 1 . . 25401 . . 16 ARG H . 53602 1 83 . 1 . 1 17 17 ARG C C 13 172.8774 0.0000 . 1 . . 20026 . . 16 ARG C . 53602 1 84 . 1 . 1 17 17 ARG CA C 13 54.4402 0.0000 . 1 . . 25411 . . 16 ARG CA . 53602 1 85 . 1 . 1 17 17 ARG CB C 13 28.7334 0.0000 . 1 . . 26566 . . 16 ARG CB . 53602 1 86 . 1 . 1 17 17 ARG N N 15 120.9236 0.0000 . 1 . . 25403 . . 16 ARG N . 53602 1 87 . 1 . 1 18 18 SER H H 1 7.3908 0.0000 . 1 . . 27318 . . 17 SER H . 53602 1 88 . 1 . 1 18 18 SER C C 13 173.1229 0.0000 . 1 . . 20461 . . 17 SER C . 53602 1 89 . 1 . 1 18 18 SER CA C 13 56.4520 0.0000 . 1 . . 25228 . . 17 SER CA . 53602 1 90 . 1 . 1 18 18 SER CB C 13 66.7929 0.0000 . 1 . . 24655 . . 17 SER CB . 53602 1 91 . 1 . 1 18 18 SER N N 15 110.2857 0.0000 . 1 . . 27320 . . 17 SER N . 53602 1 92 . 1 . 1 19 19 LEU H H 1 8.4383 0.0000 . 1 . . 26976 . . 18 LEU H . 53602 1 93 . 1 . 1 19 19 LEU HD11 H 1 0.7880 0.0000 . 2 . . . . . 18 LEU HD11 . 53602 1 94 . 1 . 1 19 19 LEU HD12 H 1 0.7880 0.0000 . 2 . . . . . 18 LEU HD11 . 53602 1 95 . 1 . 1 19 19 LEU HD13 H 1 0.7880 0.0000 . 2 . . . . . 18 LEU HD11 . 53602 1 96 . 1 . 1 19 19 LEU HD21 H 1 0.6530 0.0000 . 2 . . . . . 18 LEU HD21 . 53602 1 97 . 1 . 1 19 19 LEU HD22 H 1 0.6530 0.0000 . 2 . . . . . 18 LEU HD21 . 53602 1 98 . 1 . 1 19 19 LEU HD23 H 1 0.6530 0.0000 . 2 . . . . . 18 LEU HD21 . 53602 1 99 . 1 . 1 19 19 LEU C C 13 173.2616 0.0000 . 1 . . 19921 . . 18 LEU C . 53602 1 100 . 1 . 1 19 19 LEU CA C 13 54.4411 0.0000 . 1 . . 34940 . . 18 LEU CA . 53602 1 101 . 1 . 1 19 19 LEU CB C 13 46.4477 0.0000 . 1 . . 25726 . . 18 LEU CB . 53602 1 102 . 1 . 1 19 19 LEU CD1 C 13 24.2190 0.0000 . 2 . . 66040 . . 18 LEU CD1 . 53602 1 103 . 1 . 1 19 19 LEU CD2 C 13 25.9750 0.0000 . 2 . . 65974 . . 18 LEU CD2 . 53602 1 104 . 1 . 1 19 19 LEU N N 15 122.1623 0.0000 . 1 . . 26978 . . 18 LEU N . 53602 1 105 . 1 . 1 20 20 ARG H H 1 7.9686 0.0000 . 1 . . 23967 . . 19 ARG H . 53602 1 106 . 1 . 1 20 20 ARG C C 13 175.6281 0.0000 . 1 . . 19714 . . 19 ARG C . 53602 1 107 . 1 . 1 20 20 ARG CA C 13 53.9485 0.0000 . 1 . . 20836 . . 19 ARG CA . 53602 1 108 . 1 . 1 20 20 ARG CB C 13 31.7832 0.0000 . 1 . . 26395 . . 19 ARG CB . 53602 1 109 . 1 . 1 20 20 ARG N N 15 124.6128 0.0000 . 1 . . 23969 . . 19 ARG N . 53602 1 110 . 1 . 1 21 21 LEU H H 1 8.7640 0.0000 . 1 . . 26784 . . 20 LEU H . 53602 1 111 . 1 . 1 21 21 LEU HD11 H 1 -0.0660 0.0000 . 2 . . . . . 20 LEU HD11 . 53602 1 112 . 1 . 1 21 21 LEU HD12 H 1 -0.0660 0.0000 . 2 . . . . . 20 LEU HD11 . 53602 1 113 . 1 . 1 21 21 LEU HD13 H 1 -0.0660 0.0000 . 2 . . . . . 20 LEU HD11 . 53602 1 114 . 1 . 1 21 21 LEU HD21 H 1 0.2490 0.0000 . 2 . . . . . 20 LEU HD21 . 53602 1 115 . 1 . 1 21 21 LEU HD22 H 1 0.2490 0.0000 . 2 . . . . . 20 LEU HD21 . 53602 1 116 . 1 . 1 21 21 LEU HD23 H 1 0.2490 0.0000 . 2 . . . . . 20 LEU HD21 . 53602 1 117 . 1 . 1 21 21 LEU C C 13 176.8844 0.0000 . 1 . . 19525 . . 20 LEU C . 53602 1 118 . 1 . 1 21 21 LEU CA C 13 52.8777 0.0000 . 1 . . 25468 . . 20 LEU CA . 53602 1 119 . 1 . 1 21 21 LEU CB C 13 43.1438 0.0000 . 1 . . 25882 . . 20 LEU CB . 53602 1 120 . 1 . 1 21 21 LEU CD1 C 13 26.0050 0.0000 . 2 . . 66232 . . 20 LEU CD1 . 53602 1 121 . 1 . 1 21 21 LEU CD2 C 13 21.4360 0.0000 . 2 . . 66232 . . 20 LEU CD2 . 53602 1 122 . 1 . 1 21 21 LEU N N 15 127.1265 0.0000 . 1 . . 26786 . . 20 LEU N . 53602 1 123 . 1 . 1 22 22 SER H H 1 8.6025 0.0000 . 1 . . 27210 . . 21 SER H . 53602 1 124 . 1 . 1 22 22 SER C C 13 173.0876 0.0000 . 1 . . 20386 . . 21 SER C . 53602 1 125 . 1 . 1 22 22 SER CA C 13 56.7458 0.0000 . 1 . . 25219 . . 21 SER CA . 53602 1 126 . 1 . 1 22 22 SER CB C 13 66.5166 0.0000 . 1 . . 24649 . . 21 SER CB . 53602 1 127 . 1 . 1 22 22 SER N N 15 114.0191 0.0000 . 1 . . 27212 . . 21 SER N . 53602 1 128 . 1 . 1 23 23 CYS H H 1 8.9940 0.0000 . 1 . . 19731 . . 22 CYS H . 53602 1 129 . 1 . 1 23 23 CYS C C 13 171.6986 0.0000 . 1 . . 19741 . . 22 CYS C . 53602 1 130 . 1 . 1 23 23 CYS CA C 13 54.4832 0.0000 . 1 . . 31782 . . 22 CYS CA . 53602 1 131 . 1 . 1 23 23 CYS N N 15 124.5804 0.0000 . 1 . . 19733 . . 22 CYS N . 53602 1 132 . 1 . 1 24 24 ALA H H 1 8.5360 0.0000 . 1 . . 52419 . . 23 ALA H . 53602 1 133 . 1 . 1 24 24 ALA HB1 H 1 1.3030 0.0000 . 1 . . . . . 23 ALA HB1 . 53602 1 134 . 1 . 1 24 24 ALA HB2 H 1 1.3030 0.0000 . 1 . . . . . 23 ALA HB1 . 53602 1 135 . 1 . 1 24 24 ALA HB3 H 1 1.3030 0.0000 . 1 . . . . . 23 ALA HB1 . 53602 1 136 . 1 . 1 24 24 ALA C C 13 176.4663 0.0000 . 1 . . 26773 . . 23 ALA C . 53602 1 137 . 1 . 1 24 24 ALA CA C 13 50.8046 0.0000 . 1 . . 23890 . . 23 ALA CA . 53602 1 138 . 1 . 1 24 24 ALA CB C 13 19.4502 0.0000 . 1 . . 22501 . . 23 ALA CB . 53602 1 139 . 1 . 1 24 24 ALA N N 15 130.9165 0.0000 . 1 . . 52421 . . 23 ALA N . 53602 1 140 . 1 . 1 25 25 ALA H H 1 8.1840 0.0000 . 1 . . 23889 . . 24 ALA H . 53602 1 141 . 1 . 1 25 25 ALA HB1 H 1 0.9800 0.0000 . 1 . . . . . 24 ALA HB1 . 53602 1 142 . 1 . 1 25 25 ALA HB2 H 1 0.9800 0.0000 . 1 . . . . . 24 ALA HB1 . 53602 1 143 . 1 . 1 25 25 ALA HB3 H 1 0.9800 0.0000 . 1 . . . . . 24 ALA HB1 . 53602 1 144 . 1 . 1 25 25 ALA C C 13 176.4836 0.0000 . 1 . . 29119 . . 24 ALA C . 53602 1 145 . 1 . 1 25 25 ALA CA C 13 50.4028 0.0000 . 1 . . 29176 . . 24 ALA CA . 53602 1 146 . 1 . 1 25 25 ALA CB C 13 23.2165 0.0000 . 1 . . 26617 . . 24 ALA CB . 53602 1 147 . 1 . 1 25 25 ALA N N 15 127.4397 0.0000 . 1 . . 23891 . . 24 ALA N . 53602 1 148 . 1 . 1 26 26 SER H H 1 8.7453 0.0000 . 1 . . 24672 . . 25 SER H . 53602 1 149 . 1 . 1 26 26 SER C C 13 174.2991 0.0000 . 1 . . 40667 . . 25 SER C . 53602 1 150 . 1 . 1 26 26 SER CA C 13 57.5892 0.0000 . 1 . . 21400 . . 25 SER CA . 53602 1 151 . 1 . 1 26 26 SER CB C 13 65.3602 0.0000 . 1 . . 24673 . . 25 SER CB . 53602 1 152 . 1 . 1 26 26 SER N N 15 114.6684 0.0000 . 1 . . 24674 . . 25 SER N . 53602 1 153 . 1 . 1 27 27 GLY H H 1 8.5790 0.0000 . 1 . . 24468 . . 26 GLY H . 53602 1 154 . 1 . 1 27 27 GLY C C 13 172.7123 0.0000 . 1 . . 20485 . . 26 GLY C . 53602 1 155 . 1 . 1 27 27 GLY CA C 13 45.6151 0.0000 . 1 . . 25792 . . 26 GLY CA . 53602 1 156 . 1 . 1 27 27 GLY N N 15 108.7168 0.0000 . 1 . . 24470 . . 26 GLY N . 53602 1 157 . 1 . 1 32 32 ASP C C 13 174.6458 0.0000 . 1 . . 53882 . . 31 ASP C . 53602 1 158 . 1 . 1 32 32 ASP CA C 13 58.6932 0.0000 . 1 . . 20881 . . 31 ASP CA . 53602 1 159 . 1 . 1 32 32 ASP CB C 13 41.4707 0.0000 . 1 . . 53886 . . 31 ASP CB . 53602 1 160 . 1 . 1 33 33 TYR H H 1 8.6060 0.0000 . 1 . . 25290 . . 32 TYR H . 53602 1 161 . 1 . 1 33 33 TYR C C 13 172.1429 0.0000 . 1 . . 19807 . . 32 TYR C . 53602 1 162 . 1 . 1 33 33 TYR CA C 13 52.2506 0.0000 . 1 . . 25570 . . 32 TYR CA . 53602 1 163 . 1 . 1 33 33 TYR CB C 13 43.2099 0.0000 . 1 . . 32572 . . 32 TYR CB . 53602 1 164 . 1 . 1 33 33 TYR N N 15 123.6640 0.0000 . 1 . . 25292 . . 32 TYR N . 53602 1 165 . 1 . 1 34 34 ALA H H 1 8.9041 0.0000 . 1 . . 24054 . . 33 ALA H . 53602 1 166 . 1 . 1 34 34 ALA C C 13 174.3571 0.0000 . 1 . . 54972 . . 33 ALA C . 53602 1 167 . 1 . 1 34 34 ALA CA C 13 52.1513 0.0000 . 1 . . 54980 . . 33 ALA CA . 53602 1 168 . 1 . 1 34 34 ALA N N 15 123.1449 0.0000 . 1 . . 24056 . . 33 ALA N . 53602 1 169 . 1 . 1 35 35 MET H H 1 7.9145 0.0000 . 1 . . 51454 . . 34 MET H . 53602 1 170 . 1 . 1 35 35 MET C C 13 174.8985 0.0000 . 1 . . 57382 . . 34 MET C . 53602 1 171 . 1 . 1 35 35 MET CA C 13 52.0725 0.0000 . 1 . . 51634 . . 34 MET CA . 53602 1 172 . 1 . 1 35 35 MET CB C 13 37.1724 0.0000 . 1 . . 51637 . . 34 MET CB . 53602 1 173 . 1 . 1 35 35 MET N N 15 114.8211 0.0000 . 1 . . 51456 . . 34 MET N . 53602 1 174 . 1 . 1 36 36 HIS H H 1 8.9899 0.0000 . 1 . . 27084 . . 35 HIS H . 53602 1 175 . 1 . 1 36 36 HIS C C 13 175.2928 0.0000 . 1 . . 27187 . . 35 HIS C . 53602 1 176 . 1 . 1 36 36 HIS CA C 13 54.9096 0.0000 . 1 . . 21379 . . 35 HIS CA . 53602 1 177 . 1 . 1 36 36 HIS N N 15 118.7993 0.0000 . 1 . . 27086 . . 35 HIS N . 53602 1 178 . 1 . 1 37 37 TRP H H 1 8.6604 0.0000 . 1 . . 20316 . . 36 TRP H . 53602 1 179 . 1 . 1 37 37 TRP C C 13 175.5609 0.0000 . 1 . . 20317 . . 36 TRP C . 53602 1 180 . 1 . 1 37 37 TRP CA C 13 56.0610 0.0000 . 1 . . 21373 . . 36 TRP CA . 53602 1 181 . 1 . 1 37 37 TRP N N 15 114.8031 0.0000 . 1 . . 20318 . . 36 TRP N . 53602 1 182 . 1 . 1 38 38 VAL H H 1 9.5771 0.0000 . 1 . . 26868 . . 37 VAL H . 53602 1 183 . 1 . 1 38 38 VAL HG11 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG11 . 53602 1 184 . 1 . 1 38 38 VAL HG12 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG11 . 53602 1 185 . 1 . 1 38 38 VAL HG13 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG11 . 53602 1 186 . 1 . 1 38 38 VAL HG21 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG21 . 53602 1 187 . 1 . 1 38 38 VAL HG22 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG21 . 53602 1 188 . 1 . 1 38 38 VAL HG23 H 1 0.9390 0.0000 . 2 . . . . . 37 VAL HG21 . 53602 1 189 . 1 . 1 38 38 VAL C C 13 172.7953 0.0000 . 1 . . 19735 . . 37 VAL C . 53602 1 190 . 1 . 1 38 38 VAL CA C 13 60.7019 0.0000 . 1 . . 20818 . . 37 VAL CA . 53602 1 191 . 1 . 1 38 38 VAL CB C 13 36.4106 0.0000 . 1 . . 26161 . . 37 VAL CB . 53602 1 192 . 1 . 1 38 38 VAL CG1 C 13 22.2700 0.0000 . 2 . . 66130 . . 37 VAL CG1 . 53602 1 193 . 1 . 1 38 38 VAL CG2 C 13 22.2700 0.0000 . 2 . . 66130 . . 37 VAL CG2 . 53602 1 194 . 1 . 1 38 38 VAL N N 15 124.5977 0.0000 . 1 . . 26870 . . 37 VAL N . 53602 1 195 . 1 . 1 39 39 ARG H H 1 9.5514 0.0000 . 1 . . 22737 . . 38 ARG H . 53602 1 196 . 1 . 1 39 39 ARG C C 13 173.7064 0.0000 . 1 . . 19726 . . 38 ARG C . 53602 1 197 . 1 . 1 39 39 ARG CA C 13 52.7277 0.0000 . 1 . . 25492 . . 38 ARG CA . 53602 1 198 . 1 . 1 39 39 ARG CB C 13 33.3080 0.0000 . 1 . . 26317 . . 38 ARG CB . 53602 1 199 . 1 . 1 39 39 ARG N N 15 124.6984 0.0000 . 1 . . 22739 . . 38 ARG N . 53602 1 200 . 1 . 1 40 40 GLN H H 1 8.9377 0.0000 . 1 . . 27000 . . 39 GLN H . 53602 1 201 . 1 . 1 40 40 GLN C C 13 175.4487 0.0000 . 1 . . 19969 . . 39 GLN C . 53602 1 202 . 1 . 1 40 40 GLN CA C 13 54.4375 0.0000 . 1 . . 21040 . . 39 GLN CA . 53602 1 203 . 1 . 1 40 40 GLN CB C 13 31.9282 0.0000 . 1 . . 35615 . . 39 GLN CB . 53602 1 204 . 1 . 1 40 40 GLN N N 15 121.0735 0.0000 . 1 . . 27002 . . 39 GLN N . 53602 1 205 . 1 . 1 41 41 ALA H H 1 9.8183 0.0000 . 1 . . 19374 . . 40 ALA H . 53602 1 206 . 1 . 1 41 41 ALA C C 13 174.6754 0.0000 . 1 . . 19378 . . 40 ALA C . 53602 1 207 . 1 . 1 41 41 ALA CA C 13 50.6404 0.0000 . 1 . . 25618 . . 40 ALA CA . 53602 1 208 . 1 . 1 41 41 ALA CB C 13 16.6543 0.0000 . 1 . . 26695 . . 40 ALA CB . 53602 1 209 . 1 . 1 41 41 ALA N N 15 138.2452 0.0000 . 1 . . 19376 . . 40 ALA N . 53602 1 210 . 1 . 1 42 42 PRO C C 13 178.4727 0.0000 . 1 . . 27208 . . 41 PRO C . 53602 1 211 . 1 . 1 42 42 PRO CA C 13 63.7722 0.0000 . 1 . . 21418 . . 41 PRO CA . 53602 1 212 . 1 . 1 42 42 PRO CB C 13 30.6524 0.0000 . 1 . . 21418 . . 41 PRO CB . 53602 1 213 . 1 . 1 43 43 GLY H H 1 8.7230 0.0000 . 1 . . 20370 . . 42 GLY H . 53602 1 214 . 1 . 1 43 43 GLY C C 13 174.6025 0.0000 . 1 . . 20374 . . 42 GLY C . 53602 1 215 . 1 . 1 43 43 GLY CA C 13 45.4933 0.0000 . 1 . . 25774 . . 42 GLY CA . 53602 1 216 . 1 . 1 43 43 GLY N N 15 113.9287 0.0000 . 1 . . 20372 . . 42 GLY N . 53602 1 217 . 1 . 1 44 44 LYS H H 1 8.2390 0.0000 . 1 . . 24102 . . 43 LYS H . 53602 1 218 . 1 . 1 44 44 LYS C C 13 176.5272 0.0000 . 1 . . 19960 . . 43 LYS C . 53602 1 219 . 1 . 1 44 44 LYS CA C 13 53.9464 0.0000 . 1 . . 21043 . . 43 LYS CA . 53602 1 220 . 1 . 1 44 44 LYS CB C 13 33.6093 0.0000 . 1 . . 26344 . . 43 LYS CB . 53602 1 221 . 1 . 1 44 44 LYS N N 15 121.1885 0.0000 . 1 . . 24104 . . 43 LYS N . 53602 1 222 . 1 . 1 45 45 GLY H H 1 8.1215 0.0000 . 1 . . 20514 . . 44 GLY H . 53602 1 223 . 1 . 1 45 45 GLY C C 13 173.6818 0.0000 . 1 . . 20527 . . 44 GLY C . 53602 1 224 . 1 . 1 45 45 GLY CA C 13 44.2873 0.0000 . 1 . . 25867 . . 44 GLY CA . 53602 1 225 . 1 . 1 45 45 GLY N N 15 106.1575 0.0000 . 1 . . 20516 . . 44 GLY N . 53602 1 226 . 1 . 1 46 46 LEU H H 1 5.6450 0.0000 . 1 . . 27117 . . 45 LEU H . 53602 1 227 . 1 . 1 46 46 LEU HD11 H 1 -0.7360 0.0000 . 2 . . . . . 45 LEU HD11 . 53602 1 228 . 1 . 1 46 46 LEU HD12 H 1 -0.7360 0.0000 . 2 . . . . . 45 LEU HD11 . 53602 1 229 . 1 . 1 46 46 LEU HD13 H 1 -0.7360 0.0000 . 2 . . . . . 45 LEU HD11 . 53602 1 230 . 1 . 1 46 46 LEU HD21 H 1 0.0540 0.0000 . 2 . . . . . 45 LEU HD21 . 53602 1 231 . 1 . 1 46 46 LEU HD22 H 1 0.0540 0.0000 . 2 . . . . . 45 LEU HD21 . 53602 1 232 . 1 . 1 46 46 LEU HD23 H 1 0.0540 0.0000 . 2 . . . . . 45 LEU HD21 . 53602 1 233 . 1 . 1 46 46 LEU C C 13 176.3531 0.0000 . 1 . . 20179 . . 45 LEU C . 53602 1 234 . 1 . 1 46 46 LEU CA C 13 54.3745 0.0000 . 1 . . 25429 . . 45 LEU CA . 53602 1 235 . 1 . 1 46 46 LEU CB C 13 41.3586 0.0000 . 1 . . 25990 . . 45 LEU CB . 53602 1 236 . 1 . 1 46 46 LEU CD1 C 13 25.4500 0.0000 . 2 . . 65980 . . 45 LEU CD1 . 53602 1 237 . 1 . 1 46 46 LEU CD2 C 13 21.9350 0.0000 . 2 . . 65980 . . 45 LEU CD2 . 53602 1 238 . 1 . 1 46 46 LEU N N 15 117.5232 0.0000 . 1 . . 27119 . . 45 LEU N . 53602 1 239 . 1 . 1 47 47 GLU H H 1 9.3771 0.0000 . 1 . . 24039 . . 46 GLU H . 53602 1 240 . 1 . 1 47 47 GLU C C 13 175.3278 0.0000 . 1 . . 19828 . . 46 GLU C . 53602 1 241 . 1 . 1 47 47 GLU CA C 13 54.1634 0.0000 . 1 . . 20929 . . 46 GLU CA . 53602 1 242 . 1 . 1 47 47 GLU CB C 13 31.9566 0.0000 . 1 . . 26398 . . 46 GLU CB . 53602 1 243 . 1 . 1 47 47 GLU N N 15 123.4223 0.0000 . 1 . . 24041 . . 46 GLU N . 53602 1 244 . 1 . 1 48 48 TRP H H 1 9.3935 0.0000 . 1 . . 23829 . . 47 TRP H . 53602 1 245 . 1 . 1 48 48 TRP C C 13 175.2189 0.0000 . 1 . . 19399 . . 47 TRP C . 53602 1 246 . 1 . 1 48 48 TRP CA C 13 61.9166 0.0000 . 1 . . 20563 . . 47 TRP CA . 53602 1 247 . 1 . 1 48 48 TRP CB C 13 28.0885 0.0000 . 1 . . 26548 . . 47 TRP CB . 53602 1 248 . 1 . 1 48 48 TRP N N 15 131.2240 0.0000 . 1 . . 23831 . . 47 TRP N . 53602 1 249 . 1 . 1 49 49 VAL H H 1 7.5251 0.0000 . 1 . . 19830 . . 48 VAL H . 53602 1 250 . 1 . 1 49 49 VAL HG11 H 1 0.9280 0.0000 . 2 . . . . . 48 VAL HG11 . 53602 1 251 . 1 . 1 49 49 VAL HG12 H 1 0.9280 0.0000 . 2 . . . . . 48 VAL HG11 . 53602 1 252 . 1 . 1 49 49 VAL HG13 H 1 0.9280 0.0000 . 2 . . . . . 48 VAL HG11 . 53602 1 253 . 1 . 1 49 49 VAL HG21 H 1 0.8190 0.0000 . 2 . . . . . 48 VAL HG21 . 53602 1 254 . 1 . 1 49 49 VAL HG22 H 1 0.8190 0.0000 . 2 . . . . . 48 VAL HG21 . 53602 1 255 . 1 . 1 49 49 VAL HG23 H 1 0.8190 0.0000 . 2 . . . . . 48 VAL HG21 . 53602 1 256 . 1 . 1 49 49 VAL C C 13 173.5158 0.0000 . 1 . . 19840 . . 48 VAL C . 53602 1 257 . 1 . 1 49 49 VAL CA C 13 63.1315 0.0000 . 1 . . 20899 . . 48 VAL CA . 53602 1 258 . 1 . 1 49 49 VAL CB C 13 33.6365 0.0000 . 1 . . 26329 . . 48 VAL CB . 53602 1 259 . 1 . 1 49 49 VAL CG1 C 13 21.5940 0.0000 . 2 . . . . . 48 VAL CG1 . 53602 1 260 . 1 . 1 49 49 VAL CG2 C 13 22.3640 0.0000 . 2 . . . . . 48 VAL CG2 . 53602 1 261 . 1 . 1 49 49 VAL N N 15 123.3483 0.0000 . 1 . . 19832 . . 48 VAL N . 53602 1 262 . 1 . 1 50 50 SER H H 1 7.1053 0.0000 . 1 . . 27330 . . 49 SER H . 53602 1 263 . 1 . 1 50 50 SER C C 13 171.8907 0.0000 . 1 . . 20488 . . 49 SER C . 53602 1 264 . 1 . 1 50 50 SER CA C 13 57.1378 0.0000 . 1 . . 25231 . . 49 SER CA . 53602 1 265 . 1 . 1 50 50 SER N N 15 108.7188 0.0000 . 1 . . 27332 . . 49 SER N . 53602 1 266 . 1 . 1 51 51 ALA H H 1 8.6056 0.0000 . 1 . . 19791 . . 50 ALA H . 53602 1 267 . 1 . 1 51 51 ALA HB1 H 1 1.0510 0.0000 . 1 . . . . . 50 ALA HB1 . 53602 1 268 . 1 . 1 51 51 ALA HB2 H 1 1.0510 0.0000 . 1 . . . . . 50 ALA HB1 . 53602 1 269 . 1 . 1 51 51 ALA HB3 H 1 1.0510 0.0000 . 1 . . . . . 50 ALA HB1 . 53602 1 270 . 1 . 1 51 51 ALA C C 13 174.8979 0.0000 . 1 . . 57394 . . 50 ALA C . 53602 1 271 . 1 . 1 51 51 ALA CA C 13 51.8498 0.0000 . 1 . . 32844 . . 50 ALA CA . 53602 1 272 . 1 . 1 51 51 ALA CB C 13 22.7150 0.0000 . 1 . . 32863 . . 50 ALA CB . 53602 1 273 . 1 . 1 51 51 ALA N N 15 123.7190 0.0000 . 1 . . 19793 . . 50 ALA N . 53602 1 274 . 1 . 1 52 52 ILE H H 1 8.6272 0.0000 . 1 . . 27108 . . 51 ILE H . 53602 1 275 . 1 . 1 52 52 ILE C C 13 173.8191 0.0000 . 1 . . 52373 . . 51 ILE C . 53602 1 276 . 1 . 1 52 52 ILE CA C 13 58.7398 0.0000 . 1 . . 38507 . . 51 ILE CA . 53602 1 277 . 1 . 1 52 52 ILE CB C 13 41.1120 0.0000 . 1 . . 26068 . . 51 ILE CB . 53602 1 278 . 1 . 1 52 52 ILE N N 15 117.4997 0.0000 . 1 . . 27110 . . 51 ILE N . 53602 1 279 . 1 . 1 56 56 SER C C 13 173.1164 0.0000 . 1 . . 54330 . . 55 SER C . 53602 1 280 . 1 . 1 56 56 SER CA C 13 59.3653 0.0000 . 1 . . 54711 . . 55 SER CA . 53602 1 281 . 1 . 1 57 57 GLY H H 1 7.2919 0.0000 . 1 . . 54329 . . 56 GLY H . 53602 1 282 . 1 . 1 57 57 GLY C C 13 173.4078 0.0000 . 1 . . 54926 . . 56 GLY C . 53602 1 283 . 1 . 1 57 57 GLY CA C 13 45.6749 0.0000 . 1 . . 24223 . . 56 GLY CA . 53602 1 284 . 1 . 1 57 57 GLY N N 15 105.5600 0.0000 . 1 . . 54331 . . 56 GLY N . 53602 1 285 . 1 . 1 58 58 HIS H H 1 7.5222 0.0000 . 1 . . 25194 . . 57 HIS H . 53602 1 286 . 1 . 1 58 58 HIS C C 13 172.2958 0.0000 . 1 . . 20209 . . 57 HIS C . 53602 1 287 . 1 . 1 58 58 HIS CA C 13 56.2356 0.0000 . 1 . . 21247 . . 57 HIS CA . 53602 1 288 . 1 . 1 58 58 HIS CB C 13 29.8653 0.0000 . 1 . . 26539 . . 57 HIS CB . 53602 1 289 . 1 . 1 58 58 HIS N N 15 117.3043 0.0000 . 1 . . 25196 . . 57 HIS N . 53602 1 290 . 1 . 1 59 59 ILE H H 1 7.8805 0.0000 . 1 . . 19422 . . 58 ILE H . 53602 1 291 . 1 . 1 59 59 ILE HG21 H 1 1.0490 0.0000 . 1 . . . . . 58 ILE HG21 . 53602 1 292 . 1 . 1 59 59 ILE HG22 H 1 1.0490 0.0000 . 1 . . . . . 58 ILE HG21 . 53602 1 293 . 1 . 1 59 59 ILE HG23 H 1 1.0490 0.0000 . 1 . . . . . 58 ILE HG21 . 53602 1 294 . 1 . 1 59 59 ILE HD11 H 1 0.9520 0.0000 . 1 . . . . . 58 ILE HD11 . 53602 1 295 . 1 . 1 59 59 ILE HD12 H 1 0.9520 0.0000 . 1 . . . . . 58 ILE HD11 . 53602 1 296 . 1 . 1 59 59 ILE HD13 H 1 0.9520 0.0000 . 1 . . . . . 58 ILE HD11 . 53602 1 297 . 1 . 1 59 59 ILE C C 13 173.9591 0.0000 . 1 . . 19423 . . 58 ILE C . 53602 1 298 . 1 . 1 59 59 ILE CA C 13 60.0044 0.0000 . 1 . . 20581 . . 58 ILE CA . 53602 1 299 . 1 . 1 59 59 ILE CB C 13 41.6895 0.0000 . 1 . . 25939 . . 58 ILE CB . 53602 1 300 . 1 . 1 59 59 ILE CG2 C 13 19.1710 0.0000 . 1 . . . . . 58 ILE CG2 . 53602 1 301 . 1 . 1 59 59 ILE CD1 C 13 14.1030 0.0000 . 1 . . . . . 58 ILE CD1 . 53602 1 302 . 1 . 1 59 59 ILE N N 15 129.4754 0.0000 . 1 . . 19424 . . 58 ILE N . 53602 1 303 . 1 . 1 60 60 ASP H H 1 8.2603 0.0000 . 1 . . 24027 . . 59 ASP H . 53602 1 304 . 1 . 1 60 60 ASP C C 13 174.1880 0.0000 . 1 . . 19837 . . 59 ASP C . 53602 1 305 . 1 . 1 60 60 ASP CA C 13 52.9575 0.0000 . 1 . . 25504 . . 59 ASP CA . 53602 1 306 . 1 . 1 60 60 ASP CB C 13 47.0243 0.0000 . 1 . . 25720 . . 59 ASP CB . 53602 1 307 . 1 . 1 60 60 ASP N N 15 123.4027 0.0000 . 1 . . 24029 . . 59 ASP N . 53602 1 308 . 1 . 1 61 61 TYR H H 1 8.9679 0.0000 . 1 . . 20157 . . 60 TYR H . 53602 1 309 . 1 . 1 61 61 TYR C C 13 175.9831 0.0000 . 1 . . 20158 . . 60 TYR C . 53602 1 310 . 1 . 1 61 61 TYR CA C 13 57.4147 0.0000 . 1 . . 21226 . . 60 TYR CA . 53602 1 311 . 1 . 1 61 61 TYR CB C 13 42.6840 0.0000 . 1 . . 25912 . . 60 TYR CB . 53602 1 312 . 1 . 1 61 61 TYR N N 15 117.7065 0.0000 . 1 . . 20159 . . 60 TYR N . 53602 1 313 . 1 . 1 62 62 ALA H H 1 8.0460 0.0000 . 1 . . 22665 . . 61 ALA H . 53602 1 314 . 1 . 1 62 62 ALA HB1 H 1 1.6780 0.0000 . 1 . . . . . 61 ALA HB1 . 53602 1 315 . 1 . 1 62 62 ALA HB2 H 1 1.6780 0.0000 . 1 . . . . . 61 ALA HB1 . 53602 1 316 . 1 . 1 62 62 ALA HB3 H 1 1.6780 0.0000 . 1 . . . . . 61 ALA HB1 . 53602 1 317 . 1 . 1 62 62 ALA C C 13 178.9823 0.0000 . 1 . . 19633 . . 61 ALA C . 53602 1 318 . 1 . 1 62 62 ALA CA C 13 51.8987 0.0000 . 1 . . 20761 . . 61 ALA CA . 53602 1 319 . 1 . 1 62 62 ALA CB C 13 19.0422 0.0000 . 1 . . 26662 . . 61 ALA CB . 53602 1 320 . 1 . 1 62 62 ALA N N 15 125.5824 0.0000 . 1 . . 22667 . . 61 ALA N . 53602 1 321 . 1 . 1 63 63 ASP H H 1 9.0505 0.0000 . 1 . . 19815 . . 62 ASP H . 53602 1 322 . 1 . 1 63 63 ASP C C 13 178.0677 0.0000 . 1 . . 19816 . . 62 ASP C . 53602 1 323 . 1 . 1 63 63 ASP CA C 13 57.0038 0.0000 . 1 . . 20920 . . 62 ASP CA . 53602 1 324 . 1 . 1 63 63 ASP N N 15 123.4953 0.0000 . 1 . . 19817 . . 62 ASP N . 53602 1 325 . 1 . 1 64 64 SER H H 1 7.9753 0.0000 . 1 . . 20448 . . 63 SER H . 53602 1 326 . 1 . 1 64 64 SER C C 13 175.7644 0.0000 . 1 . . 20449 . . 63 SER C . 53602 1 327 . 1 . 1 64 64 SER CA C 13 59.1846 0.0000 . 1 . . 25021 . . 63 SER CA . 53602 1 328 . 1 . 1 64 64 SER CB C 13 63.1955 0.0000 . 1 . . 24817 . . 63 SER CB . 53602 1 329 . 1 . 1 64 64 SER N N 15 111.2590 0.0000 . 1 . . 20450 . . 63 SER N . 53602 1 330 . 1 . 1 65 65 VAL H H 1 7.1779 0.0000 . 1 . . 20424 . . 64 VAL H . 53602 1 331 . 1 . 1 65 65 VAL HG11 H 1 0.8310 0.0000 . 2 . . . . . 64 VAL HG11 . 53602 1 332 . 1 . 1 65 65 VAL HG12 H 1 0.8310 0.0000 . 2 . . . . . 64 VAL HG11 . 53602 1 333 . 1 . 1 65 65 VAL HG13 H 1 0.8310 0.0000 . 2 . . . . . 64 VAL HG11 . 53602 1 334 . 1 . 1 65 65 VAL HG21 H 1 0.2150 0.0000 . 2 . . . . . 64 VAL HG21 . 53602 1 335 . 1 . 1 65 65 VAL HG22 H 1 0.2150 0.0000 . 2 . . . . . 64 VAL HG21 . 53602 1 336 . 1 . 1 65 65 VAL HG23 H 1 0.2150 0.0000 . 2 . . . . . 64 VAL HG21 . 53602 1 337 . 1 . 1 65 65 VAL C C 13 175.2091 0.0000 . 1 . . 20428 . . 64 VAL C . 53602 1 338 . 1 . 1 65 65 VAL CA C 13 60.0742 0.0000 . 1 . . 21541 . . 64 VAL CA . 53602 1 339 . 1 . 1 65 65 VAL CB C 13 31.0123 0.0000 . 1 . . 26506 . . 64 VAL CB . 53602 1 340 . 1 . 1 65 65 VAL CG1 C 13 18.7720 0.0000 . 2 . . . . . 64 VAL CG1 . 53602 1 341 . 1 . 1 65 65 VAL CG2 C 13 20.4850 0.0000 . 2 . . . . . 64 VAL CG2 . 53602 1 342 . 1 . 1 65 65 VAL N N 15 112.1623 0.0000 . 1 . . 20426 . . 64 VAL N . 53602 1 343 . 1 . 1 66 66 GLU H H 1 7.2707 0.0000 . 1 . . 26832 . . 65 GLU H . 53602 1 344 . 1 . 1 66 66 GLU C C 13 176.9206 0.0000 . 1 . . 19618 . . 65 GLU C . 53602 1 345 . 1 . 1 66 66 GLU CA C 13 57.6077 0.0000 . 1 . . 20752 . . 65 GLU CA . 53602 1 346 . 1 . 1 66 66 GLU N N 15 125.7017 0.0000 . 1 . . 26834 . . 65 GLU N . 53602 1 347 . 1 . 1 67 67 GLY H H 1 8.9397 0.0000 . 1 . . 25992 . . 66 GLY H . 53602 1 348 . 1 . 1 67 67 GLY C C 13 174.1736 0.0000 . 1 . . 20233 . . 66 GLY C . 53602 1 349 . 1 . 1 67 67 GLY CA C 13 44.9637 0.0000 . 1 . . 21301 . . 66 GLY CA . 53602 1 350 . 1 . 1 67 67 GLY N N 15 116.5187 0.0000 . 1 . . 25994 . . 66 GLY N . 53602 1 351 . 1 . 1 68 68 ARG H H 1 7.5820 0.0000 . 1 . . 27114 . . 67 ARG H . 53602 1 352 . 1 . 1 68 68 ARG C C 13 175.5811 0.0000 . 1 . . 20185 . . 67 ARG C . 53602 1 353 . 1 . 1 68 68 ARG CA C 13 57.0665 0.0000 . 1 . . 25192 . . 67 ARG CA . 53602 1 354 . 1 . 1 68 68 ARG CB C 13 30.3697 0.0000 . 1 . . 26482 . . 67 ARG CB . 53602 1 355 . 1 . 1 68 68 ARG N N 15 117.4749 0.0000 . 1 . . 27116 . . 67 ARG N . 53602 1 356 . 1 . 1 69 69 PHE H H 1 7.3771 0.0000 . 1 . . 20073 . . 68 PHE H . 53602 1 357 . 1 . 1 69 69 PHE C C 13 174.8749 0.0000 . 1 . . 20074 . . 68 PHE C . 53602 1 358 . 1 . 1 69 69 PHE CA C 13 52.2705 0.0000 . 1 . . 21139 . . 68 PHE CA . 53602 1 359 . 1 . 1 69 69 PHE CB C 13 38.8808 0.0000 . 1 . . 26107 . . 68 PHE CB . 53602 1 360 . 1 . 1 69 69 PHE N N 15 119.8309 0.0000 . 1 . . 20075 . . 68 PHE N . 53602 1 361 . 1 . 1 70 70 THR H H 1 9.0001 0.0000 . 1 . . 25851 . . 69 THR H . 53602 1 362 . 1 . 1 70 70 THR HG21 H 1 1.1620 0.0000 . 1 . . . . . 69 THR HG21 . 53602 1 363 . 1 . 1 70 70 THR HG22 H 1 1.1620 0.0000 . 1 . . . . . 69 THR HG21 . 53602 1 364 . 1 . 1 70 70 THR HG23 H 1 1.1620 0.0000 . 1 . . . . . 69 THR HG21 . 53602 1 365 . 1 . 1 70 70 THR C C 13 174.5449 0.0000 . 1 . . 20404 . . 69 THR C . 53602 1 366 . 1 . 1 70 70 THR CA C 13 60.5167 0.0000 . 1 . . 21463 . . 69 THR CA . 53602 1 367 . 1 . 1 70 70 THR CB C 13 71.5975 0.0000 . 1 . . 24514 . . 69 THR CB . 53602 1 368 . 1 . 1 70 70 THR CG2 C 13 21.8230 0.0000 . 1 . . 66142 . . 69 THR CG2 . 53602 1 369 . 1 . 1 70 70 THR N N 15 113.5506 0.0000 . 1 . . 25853 . . 69 THR N . 53602 1 370 . 1 . 1 71 71 ILE H H 1 8.9773 0.0000 . 1 . . 26715 . . 70 ILE H . 53602 1 371 . 1 . 1 71 71 ILE HG21 H 1 0.9510 0.0000 . 1 . . . . . 70 ILE HG21 . 53602 1 372 . 1 . 1 71 71 ILE HG22 H 1 0.9510 0.0000 . 1 . . . . . 70 ILE HG21 . 53602 1 373 . 1 . 1 71 71 ILE HG23 H 1 0.9510 0.0000 . 1 . . . . . 70 ILE HG21 . 53602 1 374 . 1 . 1 71 71 ILE HD11 H 1 1.0020 0.0000 . 1 . . . . . 70 ILE HD11 . 53602 1 375 . 1 . 1 71 71 ILE HD12 H 1 1.0020 0.0000 . 1 . . . . . 70 ILE HD11 . 53602 1 376 . 1 . 1 71 71 ILE HD13 H 1 1.0020 0.0000 . 1 . . . . . 70 ILE HD11 . 53602 1 377 . 1 . 1 71 71 ILE C C 13 171.6753 0.0000 . 1 . . 19384 . . 70 ILE C . 53602 1 378 . 1 . 1 71 71 ILE CA C 13 58.8963 0.0000 . 1 . . 20548 . . 70 ILE CA . 53602 1 379 . 1 . 1 71 71 ILE CB C 13 40.1923 0.0000 . 1 . . 28452 . . 70 ILE CB . 53602 1 380 . 1 . 1 71 71 ILE CG2 C 13 16.6440 0.0000 . 1 . . 67872 . . 70 ILE CG2 . 53602 1 381 . 1 . 1 71 71 ILE CD1 C 13 14.8960 0.0000 . 1 . . 67863 . . 70 ILE CD1 . 53602 1 382 . 1 . 1 71 71 ILE N N 15 132.5580 0.0000 . 1 . . 26717 . . 70 ILE N . 53602 1 383 . 1 . 1 72 72 SER H H 1 8.2011 0.0000 . 1 . . 27123 . . 71 SER H . 53602 1 384 . 1 . 1 72 72 SER C C 13 171.6685 0.0000 . 1 . . 38839 . . 71 SER C . 53602 1 385 . 1 . 1 72 72 SER CA C 13 58.0277 0.0000 . 1 . . 25084 . . 71 SER CA . 53602 1 386 . 1 . 1 72 72 SER CB C 13 65.1181 0.0000 . 1 . . 24667 . . 71 SER CB . 53602 1 387 . 1 . 1 72 72 SER N N 15 117.2291 0.0000 . 1 . . 27125 . . 71 SER N . 53602 1 388 . 1 . 1 73 73 ARG H H 1 9.1823 0.0000 . 1 . . 20280 . . 72 ARG H . 53602 1 389 . 1 . 1 73 73 ARG C C 13 173.1976 0.0000 . 1 . . 54938 . . 72 ARG C . 53602 1 390 . 1 . 1 73 73 ARG CA C 13 54.3475 0.0000 . 1 . . 54946 . . 72 ARG CA . 53602 1 391 . 1 . 1 73 73 ARG CB C 13 34.7496 0.0000 . 1 . . 54948 . . 72 ARG CB . 53602 1 392 . 1 . 1 73 73 ARG N N 15 115.6441 0.0000 . 1 . . 20282 . . 72 ARG N . 53602 1 393 . 1 . 1 74 74 ASP H H 1 9.0014 0.0000 . 1 . . 20022 . . 73 ASP H . 53602 1 394 . 1 . 1 74 74 ASP C C 13 177.0648 0.0000 . 1 . . 19984 . . 73 ASP C . 53602 1 395 . 1 . 1 74 74 ASP CA C 13 52.0852 0.0000 . 1 . . 25516 . . 73 ASP CA . 53602 1 396 . 1 . 1 74 74 ASP CB C 13 42.1380 0.0000 . 1 . . 25969 . . 73 ASP CB . 53602 1 397 . 1 . 1 74 74 ASP N N 15 120.9010 0.0000 . 1 . . 20024 . . 73 ASP N . 53602 1 398 . 1 . 1 75 75 ASN H H 1 9.2644 0.0000 . 1 . . 26814 . . 74 ASN H . 53602 1 399 . 1 . 1 75 75 ASN C C 13 177.8067 0.0000 . 1 . . 19585 . . 74 ASN C . 53602 1 400 . 1 . 1 75 75 ASN CA C 13 55.3060 0.0000 . 1 . . 29828 . . 74 ASN CA . 53602 1 401 . 1 . 1 75 75 ASN CB C 13 36.5577 0.0000 . 1 . . 29788 . . 74 ASN CB . 53602 1 402 . 1 . 1 75 75 ASN N N 15 126.0464 0.0000 . 1 . . 26816 . . 74 ASN N . 53602 1 403 . 1 . 1 76 76 ALA H H 1 8.3575 0.0000 . 1 . . 19851 . . 75 ALA H . 53602 1 404 . 1 . 1 76 76 ALA HB1 H 1 1.5340 0.0000 . 1 . . . . . 75 ALA HB1 . 53602 1 405 . 1 . 1 76 76 ALA HB2 H 1 1.5340 0.0000 . 1 . . . . . 75 ALA HB1 . 53602 1 406 . 1 . 1 76 76 ALA HB3 H 1 1.5340 0.0000 . 1 . . . . . 75 ALA HB1 . 53602 1 407 . 1 . 1 76 76 ALA C C 13 178.9301 0.0000 . 1 . . 19813 . . 75 ALA C . 53602 1 408 . 1 . 1 76 76 ALA CA C 13 53.8997 0.0000 . 1 . . 33334 . . 75 ALA CA . 53602 1 409 . 1 . 1 76 76 ALA CB C 13 17.6817 0.0000 . 1 . . 26680 . . 75 ALA CB . 53602 1 410 . 1 . 1 76 76 ALA N N 15 123.2460 0.0000 . 1 . . 19853 . . 75 ALA N . 53602 1 411 . 1 . 1 77 77 LYS H H 1 7.1694 0.0000 . 1 . . 20295 . . 76 LYS H . 53602 1 412 . 1 . 1 77 77 LYS C C 13 176.0993 0.0000 . 1 . . 20296 . . 76 LYS C . 53602 1 413 . 1 . 1 77 77 LYS CA C 13 54.4381 0.0000 . 1 . . 25435 . . 76 LYS CA . 53602 1 414 . 1 . 1 77 77 LYS CB C 13 32.3102 0.0000 . 1 . . 26425 . . 76 LYS CB . 53602 1 415 . 1 . 1 77 77 LYS N N 15 115.3537 0.0000 . 1 . . 20297 . . 76 LYS N . 53602 1 416 . 1 . 1 78 78 ASN H H 1 7.8386 0.0000 . 1 . . 27051 . . 77 ASN H . 53602 1 417 . 1 . 1 78 78 ASN C C 13 172.1394 0.0000 . 1 . . 20080 . . 77 ASN C . 53602 1 418 . 1 . 1 78 78 ASN CA C 13 53.7518 0.0000 . 1 . . 25417 . . 77 ASN CA . 53602 1 419 . 1 . 1 78 78 ASN CB C 13 36.6767 0.0000 . 1 . . 26182 . . 77 ASN CB . 53602 1 420 . 1 . 1 78 78 ASN N N 15 119.8531 0.0000 . 1 . . 27053 . . 77 ASN N . 53602 1 421 . 1 . 1 79 79 SER H H 1 6.9510 0.0000 . 1 . . 55593 . . 78 SER H . 53602 1 422 . 1 . 1 79 79 SER C C 13 170.3402 0.0000 . 1 . . 55698 . . 78 SER C . 53602 1 423 . 1 . 1 79 79 SER CA C 13 57.3681 0.0000 . 1 . . 55819 . . 78 SER CA . 53602 1 424 . 1 . 1 79 79 SER CB C 13 67.6234 0.0000 . 1 . . 55932 . . 78 SER CB . 53602 1 425 . 1 . 1 79 79 SER N N 15 108.2876 0.0000 . 1 . . 55595 . . 78 SER N . 53602 1 426 . 1 . 1 80 80 LEU H H 1 8.6348 0.0000 . 1 . . 22530 . . 79 LEU H . 53602 1 427 . 1 . 1 80 80 LEU HD11 H 1 0.1780 0.0000 . 2 . . . . . 79 LEU HD11 . 53602 1 428 . 1 . 1 80 80 LEU HD12 H 1 0.1780 0.0000 . 2 . . . . . 79 LEU HD11 . 53602 1 429 . 1 . 1 80 80 LEU HD13 H 1 0.1780 0.0000 . 2 . . . . . 79 LEU HD11 . 53602 1 430 . 1 . 1 80 80 LEU HD21 H 1 1.0360 0.0000 . 2 . . . . . 79 LEU HD21 . 53602 1 431 . 1 . 1 80 80 LEU HD22 H 1 1.0360 0.0000 . 2 . . . . . 79 LEU HD21 . 53602 1 432 . 1 . 1 80 80 LEU HD23 H 1 1.0360 0.0000 . 2 . . . . . 79 LEU HD21 . 53602 1 433 . 1 . 1 80 80 LEU C C 13 173.6423 0.0000 . 1 . . 19513 . . 79 LEU C . 53602 1 434 . 1 . 1 80 80 LEU CA C 13 52.4959 0.0000 . 1 . . 29294 . . 79 LEU CA . 53602 1 435 . 1 . 1 80 80 LEU CB C 13 46.3452 0.0000 . 1 . . 25714 . . 79 LEU CB . 53602 1 436 . 1 . 1 80 80 LEU CD1 C 13 24.5910 0.0000 . 2 . . 66019 . . 79 LEU CD1 . 53602 1 437 . 1 . 1 80 80 LEU CD2 C 13 26.4000 0.0000 . 2 . . 65956 . . 79 LEU CD2 . 53602 1 438 . 1 . 1 80 80 LEU N N 15 127.3452 0.0000 . 1 . . 22532 . . 79 LEU N . 53602 1 439 . 1 . 1 81 81 TYR H H 1 9.2335 0.0000 . 1 . . 24051 . . 80 TYR H . 53602 1 440 . 1 . 1 81 81 TYR C C 13 176.5680 0.0000 . 1 . . 19858 . . 80 TYR C . 53602 1 441 . 1 . 1 81 81 TYR CA C 13 56.2649 0.0000 . 1 . . 25153 . . 80 TYR CA . 53602 1 442 . 1 . 1 81 81 TYR N N 15 123.1540 0.0000 . 1 . . 24053 . . 80 TYR N . 53602 1 443 . 1 . 1 82 82 LEU H H 1 8.3656 0.0000 . 1 . . 24048 . . 81 LEU H . 53602 1 444 . 1 . 1 82 82 LEU HD11 H 1 -0.0250 0.0000 . 2 . . . . . 81 LEU HD11 . 53602 1 445 . 1 . 1 82 82 LEU HD12 H 1 -0.0250 0.0000 . 2 . . . . . 81 LEU HD11 . 53602 1 446 . 1 . 1 82 82 LEU HD13 H 1 -0.0250 0.0000 . 2 . . . . . 81 LEU HD11 . 53602 1 447 . 1 . 1 82 82 LEU HD21 H 1 0.5740 0.0000 . 2 . . . . . 81 LEU HD21 . 53602 1 448 . 1 . 1 82 82 LEU HD22 H 1 0.5740 0.0000 . 2 . . . . . 81 LEU HD21 . 53602 1 449 . 1 . 1 82 82 LEU HD23 H 1 0.5740 0.0000 . 2 . . . . . 81 LEU HD21 . 53602 1 450 . 1 . 1 82 82 LEU C C 13 174.0159 0.0000 . 1 . . 57073 . . 81 LEU C . 53602 1 451 . 1 . 1 82 82 LEU CA C 13 53.7881 0.0000 . 1 . . 53862 . . 81 LEU CA . 53602 1 452 . 1 . 1 82 82 LEU CB C 13 42.4160 0.0000 . 1 . . 57085 . . 81 LEU CB . 53602 1 453 . 1 . 1 82 82 LEU CD1 C 13 25.0400 0.0000 . 2 . . 66001 . . 81 LEU CD1 . 53602 1 454 . 1 . 1 82 82 LEU CD2 C 13 21.7140 0.0000 . 2 . . 66148 . . 81 LEU CD2 . 53602 1 455 . 1 . 1 82 82 LEU N N 15 123.1083 0.0000 . 1 . . 24050 . . 81 LEU N . 53602 1 456 . 1 . 1 83 83 GLN H H 1 8.9886 0.0000 . 1 . . 26379 . . 82 GLN H . 53602 1 457 . 1 . 1 83 83 GLN C C 13 174.1149 0.0000 . 1 . . 19432 . . 82 GLN C . 53602 1 458 . 1 . 1 83 83 GLN CA C 13 54.3655 0.0000 . 1 . . 25339 . . 82 GLN CA . 53602 1 459 . 1 . 1 83 83 GLN CB C 13 28.3172 0.0000 . 1 . . 26554 . . 82 GLN CB . 53602 1 460 . 1 . 1 83 83 GLN N N 15 129.2656 0.0000 . 1 . . 26381 . . 82 GLN N . 53602 1 461 . 1 . 1 84 84 MET H H 1 8.7561 0.0000 . 1 . . 19470 . . 83 MET H . 53602 1 462 . 1 . 1 84 84 MET C C 13 173.2138 0.0000 . 1 . . 55000 . . 83 MET C . 53602 1 463 . 1 . 1 84 84 MET CA C 13 54.4024 0.0000 . 1 . . 28941 . . 83 MET CA . 53602 1 464 . 1 . 1 84 84 MET CB C 13 34.1961 0.0000 . 1 . . 55012 . . 83 MET CB . 53602 1 465 . 1 . 1 84 84 MET N N 15 127.9604 0.0000 . 1 . . 19472 . . 83 MET N . 53602 1 466 . 1 . 1 85 85 ASN H H 1 7.6654 0.0000 . 1 . . 24159 . . 84 ASN H . 53602 1 467 . 1 . 1 85 85 ASN C C 13 173.3759 0.0000 . 1 . . 20077 . . 84 ASN C . 53602 1 468 . 1 . 1 85 85 ASN CA C 13 51.1116 0.0000 . 1 . . 25642 . . 84 ASN CA . 53602 1 469 . 1 . 1 85 85 ASN CB C 13 40.3886 0.0000 . 1 . . 26065 . . 84 ASN CB . 53602 1 470 . 1 . 1 85 85 ASN N N 15 120.0795 0.0000 . 1 . . 24161 . . 84 ASN N . 53602 1 471 . 1 . 1 86 86 SER H H 1 8.4223 0.0000 . 1 . . 20439 . . 85 SER H . 53602 1 472 . 1 . 1 86 86 SER C C 13 175.8950 0.0000 . 1 . . 27079 . . 85 SER C . 53602 1 473 . 1 . 1 86 86 SER CA C 13 57.3552 0.0000 . 1 . . 24184 . . 85 SER CA . 53602 1 474 . 1 . 1 86 86 SER CB C 13 61.6887 0.0000 . 1 . . 24892 . . 85 SER CB . 53602 1 475 . 1 . 1 86 86 SER N N 15 111.5805 0.0000 . 1 . . 20441 . . 85 SER N . 53602 1 476 . 1 . 1 87 87 LEU H H 1 7.6497 0.0000 . 1 . . 24891 . . 86 LEU H . 53602 1 477 . 1 . 1 87 87 LEU HD11 H 1 0.8640 0.0000 . 2 . . . . . 86 LEU HD11 . 53602 1 478 . 1 . 1 87 87 LEU HD12 H 1 0.8640 0.0000 . 2 . . . . . 86 LEU HD11 . 53602 1 479 . 1 . 1 87 87 LEU HD13 H 1 0.8640 0.0000 . 2 . . . . . 86 LEU HD11 . 53602 1 480 . 1 . 1 87 87 LEU HD21 H 1 0.5400 0.0000 . 2 . . . . . 86 LEU HD21 . 53602 1 481 . 1 . 1 87 87 LEU HD22 H 1 0.5400 0.0000 . 2 . . . . . 86 LEU HD21 . 53602 1 482 . 1 . 1 87 87 LEU HD23 H 1 0.5400 0.0000 . 2 . . . . . 86 LEU HD21 . 53602 1 483 . 1 . 1 87 87 LEU C C 13 177.2611 0.0000 . 1 . . 20113 . . 86 LEU C . 53602 1 484 . 1 . 1 87 87 LEU CA C 13 56.3114 0.0000 . 1 . . 21184 . . 86 LEU CA . 53602 1 485 . 1 . 1 87 87 LEU CB C 13 42.2310 0.0000 . 1 . . 25981 . . 86 LEU CB . 53602 1 486 . 1 . 1 87 87 LEU CD1 C 13 27.3660 0.0000 . 2 . . 66022 . . 86 LEU CD1 . 53602 1 487 . 1 . 1 87 87 LEU CD2 C 13 24.6620 0.0000 . 2 . . 65935 . . 86 LEU CD2 . 53602 1 488 . 1 . 1 87 87 LEU N N 15 118.9130 0.0000 . 1 . . 24893 . . 86 LEU N . 53602 1 489 . 1 . 1 88 88 ARG H H 1 9.5474 0.0000 . 1 . . 19944 . . 87 ARG H . 53602 1 490 . 1 . 1 88 88 ARG C C 13 176.8759 0.0000 . 1 . . 19945 . . 87 ARG C . 53602 1 491 . 1 . 1 88 88 ARG CA C 13 53.3747 0.0000 . 1 . . 21019 . . 87 ARG CA . 53602 1 492 . 1 . 1 88 88 ARG CB C 13 33.2775 0.0000 . 1 . . 26338 . . 87 ARG CB . 53602 1 493 . 1 . 1 88 88 ARG N N 15 121.4532 0.0000 . 1 . . 19946 . . 87 ARG N . 53602 1 494 . 1 . 1 89 89 ALA H H 1 9.0269 0.0000 . 1 . . 19620 . . 88 ALA H . 53602 1 495 . 1 . 1 89 89 ALA HB1 H 1 1.5370 0.0000 . 1 . . . . . 88 ALA HB1 . 53602 1 496 . 1 . 1 89 89 ALA HB2 H 1 1.5370 0.0000 . 1 . . . . . 88 ALA HB1 . 53602 1 497 . 1 . 1 89 89 ALA HB3 H 1 1.5370 0.0000 . 1 . . . . . 88 ALA HB1 . 53602 1 498 . 1 . 1 89 89 ALA C C 13 180.6492 0.0000 . 1 . . 19609 . . 88 ALA C . 53602 1 499 . 1 . 1 89 89 ALA CA C 13 55.7777 0.0000 . 1 . . 29898 . . 88 ALA CA . 53602 1 500 . 1 . 1 89 89 ALA CB C 13 17.7976 0.0000 . 1 . . 26677 . . 88 ALA CB . 53602 1 501 . 1 . 1 89 89 ALA N N 15 125.8731 0.0000 . 1 . . 19622 . . 88 ALA N . 53602 1 502 . 1 . 1 90 90 GLU H H 1 9.3591 0.0000 . 1 . . 20268 . . 89 GLU H . 53602 1 503 . 1 . 1 90 90 GLU C C 13 176.0631 0.0000 . 1 . . 20278 . . 89 GLU C . 53602 1 504 . 1 . 1 90 90 GLU CA C 13 58.3606 0.0000 . 1 . . 21331 . . 89 GLU CA . 53602 1 505 . 1 . 1 90 90 GLU CB C 13 27.4097 0.0000 . 1 . . 26596 . . 89 GLU CB . 53602 1 506 . 1 . 1 90 90 GLU N N 15 115.5238 0.0000 . 1 . . 20270 . . 89 GLU N . 53602 1 507 . 1 . 1 91 91 ASP H H 1 8.4361 0.0000 . 1 . . 20136 . . 90 ASP H . 53602 1 508 . 1 . 1 91 91 ASP C C 13 176.7446 0.0000 . 1 . . 20134 . . 90 ASP C . 53602 1 509 . 1 . 1 91 91 ASP CA C 13 54.8023 0.0000 . 1 . . 21208 . . 90 ASP CA . 53602 1 510 . 1 . 1 91 91 ASP CB C 13 41.8799 0.0000 . 1 . . 25984 . . 90 ASP CB . 53602 1 511 . 1 . 1 91 91 ASP N N 15 118.4175 0.0000 . 1 . . 20138 . . 90 ASP N . 53602 1 512 . 1 . 1 92 92 THR H H 1 7.8604 0.0000 . 1 . . 23001 . . 91 THR H . 53602 1 513 . 1 . 1 92 92 THR HG21 H 1 1.5330 0.0000 . 1 . . . . . 91 THR HG21 . 53602 1 514 . 1 . 1 92 92 THR HG22 H 1 1.5330 0.0000 . 1 . . . . . 91 THR HG21 . 53602 1 515 . 1 . 1 92 92 THR HG23 H 1 1.5330 0.0000 . 1 . . . . . 91 THR HG21 . 53602 1 516 . 1 . 1 92 92 THR C C 13 174.6217 0.0000 . 1 . . 20011 . . 91 THR C . 53602 1 517 . 1 . 1 92 92 THR CA C 13 64.4132 0.0000 . 1 . . 21052 . . 91 THR CA . 53602 1 518 . 1 . 1 92 92 THR CB C 13 69.5238 0.0000 . 1 . . 35992 . . 91 THR CB . 53602 1 519 . 1 . 1 92 92 THR CG2 C 13 20.2820 0.0000 . 1 . . 66283 . . 91 THR CG2 . 53602 1 520 . 1 . 1 92 92 THR N N 15 121.0235 0.0000 . 1 . . 23003 . . 91 THR N . 53602 1 521 . 1 . 1 93 93 ALA H H 1 8.9528 0.0000 . 1 . . 19464 . . 92 ALA H . 53602 1 522 . 1 . 1 93 93 ALA HB1 H 1 1.0430 0.0000 . 1 . . . . . 92 ALA HB1 . 53602 1 523 . 1 . 1 93 93 ALA HB2 H 1 1.0430 0.0000 . 1 . . . . . 92 ALA HB1 . 53602 1 524 . 1 . 1 93 93 ALA HB3 H 1 1.0430 0.0000 . 1 . . . . . 92 ALA HB1 . 53602 1 525 . 1 . 1 93 93 ALA C C 13 175.6494 0.0000 . 1 . . 19465 . . 92 ALA C . 53602 1 526 . 1 . 1 93 93 ALA CA C 13 52.2217 0.0000 . 1 . . 25540 . . 92 ALA CA . 53602 1 527 . 1 . 1 93 93 ALA CB C 13 20.3941 0.0000 . 1 . . 26635 . . 92 ALA CB . 53602 1 528 . 1 . 1 93 93 ALA N N 15 127.9641 0.0000 . 1 . . 19466 . . 92 ALA N . 53602 1 529 . 1 . 1 94 94 VAL H H 1 7.9430 0.0000 . 1 . . 20046 . . 93 VAL H . 53602 1 530 . 1 . 1 94 94 VAL C C 13 175.2987 0.0000 . 1 . . 20053 . . 93 VAL C . 53602 1 531 . 1 . 1 94 94 VAL CA C 13 62.2604 0.0000 . 1 . . 24880 . . 93 VAL CA . 53602 1 532 . 1 . 1 94 94 VAL CB C 13 31.8707 0.0000 . 1 . . 37134 . . 93 VAL CB . 53602 1 533 . 1 . 1 94 94 VAL N N 15 120.2957 0.0000 . 1 . . 20048 . . 93 VAL N . 53602 1 534 . 1 . 1 101 101 SER C C 13 174.7668 0.0000 . 1 . . 27064 . . 100 SER C . 53602 1 535 . 1 . 1 101 101 SER CA C 13 60.2799 0.0000 . 1 . . 37573 . . 100 SER CA . 53602 1 536 . 1 . 1 101 101 SER CB C 13 63.3721 0.0000 . 1 . . 37657 . . 100 SER CB . 53602 1 537 . 1 . 1 102 102 TYR H H 1 7.5223 0.0000 . 1 . . 27063 . . 101 TYR H . 53602 1 538 . 1 . 1 102 102 TYR C C 13 174.2003 0.0000 . 1 . . 50740 . . 101 TYR C . 53602 1 539 . 1 . 1 102 102 TYR CA C 13 56.4085 0.0000 . 1 . . 50748 . . 101 TYR CA . 53602 1 540 . 1 . 1 102 102 TYR CB C 13 39.4426 0.0000 . 1 . . 50752 . . 101 TYR CB . 53602 1 541 . 1 . 1 102 102 TYR N N 15 119.6333 0.0000 . 1 . . 27065 . . 101 TYR N . 53602 1 542 . 1 . 1 103 103 LEU H H 1 7.2066 0.0000 . 1 . . 25167 . . 102 LEU H . 53602 1 543 . 1 . 1 103 103 LEU HD11 H 1 0.5570 0.0000 . 2 . . . . . 102 LEU HD11 . 53602 1 544 . 1 . 1 103 103 LEU HD12 H 1 0.5570 0.0000 . 2 . . . . . 102 LEU HD11 . 53602 1 545 . 1 . 1 103 103 LEU HD13 H 1 0.5570 0.0000 . 2 . . . . . 102 LEU HD11 . 53602 1 546 . 1 . 1 103 103 LEU HD21 H 1 0.2970 0.0000 . 2 . . . . . 102 LEU HD21 . 53602 1 547 . 1 . 1 103 103 LEU HD22 H 1 0.2970 0.0000 . 2 . . . . . 102 LEU HD21 . 53602 1 548 . 1 . 1 103 103 LEU HD23 H 1 0.2970 0.0000 . 2 . . . . . 102 LEU HD21 . 53602 1 549 . 1 . 1 103 103 LEU C C 13 176.5827 0.0000 . 1 . . 19996 . . 102 LEU C . 53602 1 550 . 1 . 1 103 103 LEU CA C 13 57.1634 0.0000 . 1 . . 21070 . . 102 LEU CA . 53602 1 551 . 1 . 1 103 103 LEU CB C 13 40.0366 0.0000 . 1 . . 26104 . . 102 LEU CB . 53602 1 552 . 1 . 1 103 103 LEU CD1 C 13 22.9510 0.0000 . 2 . . 66103 . . 102 LEU CD1 . 53602 1 553 . 1 . 1 103 103 LEU CD2 C 13 24.9200 0.0000 . 2 . . 66016 . . 102 LEU CD2 . 53602 1 554 . 1 . 1 103 103 LEU N N 15 120.9350 0.0000 . 1 . . 25169 . . 102 LEU N . 53602 1 555 . 1 . 1 104 104 SER H H 1 7.7653 0.0000 . 1 . . 23457 . . 103 SER H . 53602 1 556 . 1 . 1 104 104 SER C C 13 174.4195 0.0000 . 1 . . 50768 . . 103 SER C . 53602 1 557 . 1 . 1 104 104 SER CA C 13 56.4663 0.0000 . 1 . . 50776 . . 103 SER CA . 53602 1 558 . 1 . 1 104 104 SER CB C 13 63.9704 0.0000 . 1 . . 50770 . . 103 SER CB . 53602 1 559 . 1 . 1 104 104 SER N N 15 114.8370 0.0000 . 1 . . 23459 . . 103 SER N . 53602 1 560 . 1 . 1 105 105 THR H H 1 7.7620 0.0000 . 1 . . 51460 . . 104 THR H . 53602 1 561 . 1 . 1 105 105 THR HG21 H 1 1.1340 0.0000 . 1 . . . . . 104 THR HG21 . 53602 1 562 . 1 . 1 105 105 THR HG22 H 1 1.1340 0.0000 . 1 . . . . . 104 THR HG21 . 53602 1 563 . 1 . 1 105 105 THR HG23 H 1 1.1340 0.0000 . 1 . . . . . 104 THR HG21 . 53602 1 564 . 1 . 1 105 105 THR C C 13 174.6368 0.0000 . 1 . . 26851 . . 104 THR C . 53602 1 565 . 1 . 1 105 105 THR CA C 13 63.3805 0.0000 . 1 . . 23941 . . 104 THR CA . 53602 1 566 . 1 . 1 105 105 THR CB C 13 68.9390 0.0000 . 1 . . 22654 . . 104 THR CB . 53602 1 567 . 1 . 1 105 105 THR CG2 C 13 22.9130 0.0000 . 1 . . 66088 . . 104 THR CG2 . 53602 1 568 . 1 . 1 105 105 THR N N 15 113.3233 0.0000 . 1 . . 51462 . . 104 THR N . 53602 1 569 . 1 . 1 106 106 ALA H H 1 7.6846 0.0000 . 1 . . 19671 . . 105 ALA H . 53602 1 570 . 1 . 1 106 106 ALA HB1 H 1 1.3740 0.0000 . 1 . . . . . 105 ALA HB1 . 53602 1 571 . 1 . 1 106 106 ALA HB2 H 1 1.3740 0.0000 . 1 . . . . . 105 ALA HB1 . 53602 1 572 . 1 . 1 106 106 ALA HB3 H 1 1.3740 0.0000 . 1 . . . . . 105 ALA HB1 . 53602 1 573 . 1 . 1 106 106 ALA C C 13 175.4476 0.0000 . 1 . . 19672 . . 105 ALA C . 53602 1 574 . 1 . 1 106 106 ALA CA C 13 51.2135 0.0000 . 1 . . 20803 . . 105 ALA CA . 53602 1 575 . 1 . 1 106 106 ALA CB C 13 16.6757 0.0000 . 1 . . 26701 . . 105 ALA CB . 53602 1 576 . 1 . 1 106 106 ALA N N 15 125.2628 0.0000 . 1 . . 19673 . . 105 ALA N . 53602 1 577 . 1 . 1 107 107 SER H H 1 7.3772 0.0000 . 1 . . 20238 . . 106 SER H . 53602 1 578 . 1 . 1 107 107 SER C C 13 171.1921 0.0000 . 1 . . 20239 . . 106 SER C . 53602 1 579 . 1 . 1 107 107 SER CA C 13 57.0566 0.0000 . 1 . . 25204 . . 106 SER CA . 53602 1 580 . 1 . 1 107 107 SER CB C 13 64.9345 0.0000 . 1 . . 24718 . . 106 SER CB . 53602 1 581 . 1 . 1 107 107 SER N N 15 116.5325 0.0000 . 1 . . 20240 . . 106 SER N . 53602 1 582 . 1 . 1 108 108 SER H H 1 6.8047 0.0000 . 1 . . 55038 . . 107 SER H . 53602 1 583 . 1 . 1 108 108 SER C C 13 172.3579 0.0000 . 1 . . 55579 . . 107 SER C . 53602 1 584 . 1 . 1 108 108 SER CA C 13 57.5698 0.0000 . 1 . . 55475 . . 107 SER CA . 53602 1 585 . 1 . 1 108 108 SER CB C 13 64.1068 0.0000 . 1 . . 55591 . . 107 SER CB . 53602 1 586 . 1 . 1 108 108 SER N N 15 113.1739 0.0000 . 1 . . 55040 . . 107 SER N . 53602 1 587 . 1 . 1 109 109 LEU H H 1 7.5543 0.0000 . 1 . . 27030 . . 108 LEU H . 53602 1 588 . 1 . 1 109 109 LEU C C 13 176.0364 0.0000 . 1 . . 54952 . . 108 LEU C . 53602 1 589 . 1 . 1 109 109 LEU CA C 13 54.0868 0.0000 . 1 . . 54954 . . 108 LEU CA . 53602 1 590 . 1 . 1 109 109 LEU CB C 13 39.7285 0.0000 . 1 . . 36671 . . 108 LEU CB . 53602 1 591 . 1 . 1 109 109 LEU N N 15 120.9207 0.0000 . 1 . . 27032 . . 108 LEU N . 53602 1 592 . 1 . 1 110 110 ASP H H 1 8.1171 0.0000 . 1 . . 56678 . . 109 ASP H . 53602 1 593 . 1 . 1 110 110 ASP C C 13 176.8152 0.0000 . 1 . . 56744 . . 109 ASP C . 53602 1 594 . 1 . 1 110 110 ASP CA C 13 54.6519 0.0000 . 1 . . 57003 . . 109 ASP CA . 53602 1 595 . 1 . 1 110 110 ASP CB C 13 39.9534 0.0000 . 1 . . 57000 . . 109 ASP CB . 53602 1 596 . 1 . 1 110 110 ASP N N 15 121.8186 0.0000 . 1 . . 56680 . . 109 ASP N . 53602 1 597 . 1 . 1 111 111 TYR H H 1 7.3493 0.0000 . 1 . . 26061 . . 110 TYR H . 53602 1 598 . 1 . 1 111 111 TYR C C 13 172.5762 0.0000 . 1 . . 20029 . . 110 TYR C . 53602 1 599 . 1 . 1 111 111 TYR CA C 13 59.0432 0.0000 . 1 . . 25006 . . 110 TYR CA . 53602 1 600 . 1 . 1 111 111 TYR N N 15 120.9669 0.0000 . 1 . . 26063 . . 110 TYR N . 53602 1 601 . 1 . 1 112 112 TRP H H 1 8.1430 0.0000 . 1 . . 54326 . . 111 TRP H . 53602 1 602 . 1 . 1 112 112 TRP C C 13 177.5157 0.0000 . 1 . . 55024 . . 111 TRP C . 53602 1 603 . 1 . 1 112 112 TRP CA C 13 55.6417 0.0000 . 1 . . 55020 . . 111 TRP CA . 53602 1 604 . 1 . 1 112 112 TRP CB C 13 32.0989 0.0000 . 1 . . . . . 111 TRP CB . 53602 1 605 . 1 . 1 112 112 TRP N N 15 123.6729 0.0000 . 1 . . 54328 . . 111 TRP N . 53602 1 606 . 1 . 1 113 113 GLY H H 1 8.7089 0.0000 . 1 . . 20475 . . 112 GLY H . 53602 1 607 . 1 . 1 113 113 GLY C C 13 172.8075 0.0000 . 1 . . 57061 . . 112 GLY C . 53602 1 608 . 1 . 1 113 113 GLY CA C 13 45.2317 0.0000 . 1 . . 57069 . . 112 GLY CA . 53602 1 609 . 1 . 1 113 113 GLY N N 15 109.6448 0.0000 . 1 . . 20477 . . 112 GLY N . 53602 1 610 . 1 . 1 114 114 GLN H H 1 8.3403 0.0000 . 1 . . 53454 . . 113 GLN H . 53602 1 611 . 1 . 1 114 114 GLN C C 13 177.9747 0.0000 . 1 . . 53546 . . 113 GLN C . 53602 1 612 . 1 . 1 114 114 GLN CA C 13 56.2034 0.0000 . 1 . . 53761 . . 113 GLN CA . 53602 1 613 . 1 . 1 114 114 GLN CB C 13 28.4033 0.0000 . 1 . . 53694 . . 113 GLN CB . 53602 1 614 . 1 . 1 114 114 GLN N N 15 114.8616 0.0000 . 1 . . 53456 . . 113 GLN N . 53602 1 615 . 1 . 1 116 116 THR C C 13 171.9595 0.0000 . 1 . . 26719 . . 115 THR C . 53602 1 616 . 1 . 1 116 116 THR CA C 13 60.0565 0.0000 . 1 . . 24925 . . 115 THR CA . 53602 1 617 . 1 . 1 116 116 THR CB C 13 70.1499 0.0000 . 1 . . 22327 . . 115 THR CB . 53602 1 618 . 1 . 1 117 117 LEU H H 1 8.2762 0.0000 . 1 . . 26718 . . 116 LEU H . 53602 1 619 . 1 . 1 117 117 LEU HD11 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD11 . 53602 1 620 . 1 . 1 117 117 LEU HD12 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD11 . 53602 1 621 . 1 . 1 117 117 LEU HD13 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD11 . 53602 1 622 . 1 . 1 117 117 LEU HD21 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD21 . 53602 1 623 . 1 . 1 117 117 LEU HD22 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD21 . 53602 1 624 . 1 . 1 117 117 LEU HD23 H 1 0.5870 0.0000 . 2 . . . . . 116 LEU HD21 . 53602 1 625 . 1 . 1 117 117 LEU C C 13 176.0836 0.0000 . 1 . . 19387 . . 116 LEU C . 53602 1 626 . 1 . 1 117 117 LEU CA C 13 55.3442 0.0000 . 1 . . 25240 . . 116 LEU CA . 53602 1 627 . 1 . 1 117 117 LEU CB C 13 41.6998 0.0000 . 1 . . 25930 . . 116 LEU CB . 53602 1 628 . 1 . 1 117 117 LEU CD1 C 13 26.0610 0.0000 . 2 . . 65962 . . 116 LEU CD1 . 53602 1 629 . 1 . 1 117 117 LEU CD2 C 13 26.0610 0.0000 . 2 . . 66127 . . 116 LEU CD2 . 53602 1 630 . 1 . 1 117 117 LEU N N 15 132.2470 0.0000 . 1 . . 26720 . . 116 LEU N . 53602 1 631 . 1 . 1 118 118 VAL H H 1 8.9702 0.0000 . 1 . . 19392 . . 117 VAL H . 53602 1 632 . 1 . 1 118 118 VAL HG11 H 1 0.6810 0.0000 . 2 . . . . . 117 VAL HG11 . 53602 1 633 . 1 . 1 118 118 VAL HG12 H 1 0.6810 0.0000 . 2 . . . . . 117 VAL HG11 . 53602 1 634 . 1 . 1 118 118 VAL HG13 H 1 0.6810 0.0000 . 2 . . . . . 117 VAL HG11 . 53602 1 635 . 1 . 1 118 118 VAL HG21 H 1 0.7030 0.0000 . 2 . . . . . 117 VAL HG21 . 53602 1 636 . 1 . 1 118 118 VAL HG22 H 1 0.7030 0.0000 . 2 . . . . . 117 VAL HG21 . 53602 1 637 . 1 . 1 118 118 VAL HG23 H 1 0.7030 0.0000 . 2 . . . . . 117 VAL HG21 . 53602 1 638 . 1 . 1 118 118 VAL C C 13 173.8985 0.0000 . 1 . . 19396 . . 117 VAL C . 53602 1 639 . 1 . 1 118 118 VAL CA C 13 61.4757 0.0000 . 1 . . 20557 . . 117 VAL CA . 53602 1 640 . 1 . 1 118 118 VAL CB C 13 33.1346 0.0000 . 1 . . 26281 . . 117 VAL CB . 53602 1 641 . 1 . 1 118 118 VAL CG1 C 13 20.1700 0.0000 . 2 . . 66310 . . 117 VAL CG1 . 53602 1 642 . 1 . 1 118 118 VAL CG2 C 13 23.1040 0.0000 . 2 . . 66091 . . 117 VAL CG2 . 53602 1 643 . 1 . 1 118 118 VAL N N 15 131.7202 0.0000 . 1 . . 19394 . . 117 VAL N . 53602 1 644 . 1 . 1 119 119 THR H H 1 8.1468 0.0000 . 1 . . 19785 . . 118 THR H . 53602 1 645 . 1 . 1 119 119 THR HG21 H 1 1.1910 0.0000 . 1 . . . . . 118 THR HG21 . 53602 1 646 . 1 . 1 119 119 THR HG22 H 1 1.1910 0.0000 . 1 . . . . . 118 THR HG21 . 53602 1 647 . 1 . 1 119 119 THR HG23 H 1 1.1910 0.0000 . 1 . . . . . 118 THR HG21 . 53602 1 648 . 1 . 1 119 119 THR C C 13 172.2917 0.0000 . 1 . . 19804 . . 118 THR C . 53602 1 649 . 1 . 1 119 119 THR CA C 13 62.1010 0.0000 . 1 . . 20875 . . 118 THR CA . 53602 1 650 . 1 . 1 119 119 THR CB C 13 69.4704 0.0000 . 1 . . 24550 . . 118 THR CB . 53602 1 651 . 1 . 1 119 119 THR CG2 C 13 21.0060 0.0000 . 1 . . 66241 . . 118 THR CG2 . 53602 1 652 . 1 . 1 119 119 THR N N 15 123.6606 0.0000 . 1 . . 19787 . . 118 THR N . 53602 1 653 . 1 . 1 120 120 VAL H H 1 8.3629 0.0000 . 1 . . 19449 . . 119 VAL H . 53602 1 654 . 1 . 1 120 120 VAL HG11 H 1 0.4300 0.0000 . 2 . . . . . 119 VAL HG11 . 53602 1 655 . 1 . 1 120 120 VAL HG12 H 1 0.4300 0.0000 . 2 . . . . . 119 VAL HG11 . 53602 1 656 . 1 . 1 120 120 VAL HG13 H 1 0.4300 0.0000 . 2 . . . . . 119 VAL HG11 . 53602 1 657 . 1 . 1 120 120 VAL HG21 H 1 0.6510 0.0000 . 2 . . . . . 119 VAL HG21 . 53602 1 658 . 1 . 1 120 120 VAL HG22 H 1 0.6510 0.0000 . 2 . . . . . 119 VAL HG21 . 53602 1 659 . 1 . 1 120 120 VAL HG23 H 1 0.6510 0.0000 . 2 . . . . . 119 VAL HG21 . 53602 1 660 . 1 . 1 120 120 VAL C C 13 176.0579 0.0000 . 1 . . 19450 . . 119 VAL C . 53602 1 661 . 1 . 1 120 120 VAL CA C 13 59.6565 0.0000 . 1 . . 24931 . . 119 VAL CA . 53602 1 662 . 1 . 1 120 120 VAL CB C 13 30.3588 0.0000 . 1 . . 26446 . . 119 VAL CB . 53602 1 663 . 1 . 1 120 120 VAL CG1 C 13 20.2240 0.0000 . 2 . . 66298 . . 119 VAL CG1 . 53602 1 664 . 1 . 1 120 120 VAL CG2 C 13 20.6360 0.0000 . 2 . . 66511 . . 119 VAL CG2 . 53602 1 665 . 1 . 1 120 120 VAL N N 15 128.3683 0.0000 . 1 . . 19451 . . 119 VAL N . 53602 1 666 . 1 . 1 121 121 SER H H 1 8.5494 0.0000 . 1 . . 27039 . . 120 SER H . 53602 1 667 . 1 . 1 121 121 SER C C 13 173.5012 0.0000 . 1 . . 20059 . . 120 SER C . 53602 1 668 . 1 . 1 121 121 SER CA C 13 56.6095 0.0000 . 1 . . 37124 . . 120 SER CA . 53602 1 669 . 1 . 1 121 121 SER CB C 13 63.9126 0.0000 . 1 . . 37076 . . 120 SER CB . 53602 1 670 . 1 . 1 121 121 SER N N 15 120.1961 0.0000 . 1 . . 27041 . . 120 SER N . 53602 1 671 . 1 . 1 122 122 SER C C 13 173.8786 0.0000 . 1 . . 52372 . . 121 SER C . 53602 1 672 . 1 . 1 122 122 SER CA C 13 58.7672 0.0000 . 1 . . 52376 . . 121 SER CA . 53602 1 673 . 1 . 1 122 122 SER CB C 13 63.4027 0.0000 . 1 . . 24763 . . 121 SER CB . 53602 1 674 . 1 . 1 123 123 ALA H H 1 8.2478 0.0000 . 1 . . 19533 . . 122 ALA H . 53602 1 675 . 1 . 1 123 123 ALA HB1 H 1 0.8010 0.0000 . 1 . . . . . 122 ALA HB1 . 53602 1 676 . 1 . 1 123 123 ALA HB2 H 1 0.8010 0.0000 . 1 . . . . . 122 ALA HB1 . 53602 1 677 . 1 . 1 123 123 ALA HB3 H 1 0.8010 0.0000 . 1 . . . . . 122 ALA HB1 . 53602 1 678 . 1 . 1 123 123 ALA C C 13 175.7823 0.0000 . 1 . . 57453 . . 122 ALA C . 53602 1 679 . 1 . 1 123 123 ALA CA C 13 51.6864 0.0000 . 1 . . 57459 . . 122 ALA CA . 53602 1 680 . 1 . 1 123 123 ALA CB C 13 18.1247 0.0000 . 1 . . 57463 . . 122 ALA CB . 53602 1 681 . 1 . 1 123 123 ALA N N 15 127.1655 0.0000 . 1 . . 19535 . . 122 ALA N . 53602 1 682 . 1 . 1 124 124 SER H H 1 7.6021 0.0000 . 1 . . 25449 . . 123 SER H . 53602 1 683 . 1 . 1 124 124 SER C C 13 174.2027 0.0000 . 1 . . 20407 . . 123 SER C . 53602 1 684 . 1 . 1 124 124 SER CA C 13 57.3340 0.0000 . 1 . . 21478 . . 123 SER CA . 53602 1 685 . 1 . 1 124 124 SER CB C 13 64.8725 0.0000 . 1 . . 24736 . . 123 SER CB . 53602 1 686 . 1 . 1 124 124 SER N N 15 113.3176 0.0000 . 1 . . 25451 . . 123 SER N . 53602 1 687 . 1 . 1 125 125 THR H H 1 8.1038 0.0000 . 1 . . 20163 . . 124 THR H . 53602 1 688 . 1 . 1 125 125 THR HG21 H 1 1.2180 0.0000 . 1 . . . . . 124 THR HG21 . 53602 1 689 . 1 . 1 125 125 THR HG22 H 1 1.2180 0.0000 . 1 . . . . . 124 THR HG21 . 53602 1 690 . 1 . 1 125 125 THR HG23 H 1 1.2180 0.0000 . 1 . . . . . 124 THR HG21 . 53602 1 691 . 1 . 1 125 125 THR C C 13 174.7391 0.0000 . 1 . . 20164 . . 124 THR C . 53602 1 692 . 1 . 1 125 125 THR CA C 13 63.6148 0.0000 . 1 . . 21223 . . 124 THR CA . 53602 1 693 . 1 . 1 125 125 THR CB C 13 68.9377 0.0000 . 1 . . 24568 . . 124 THR CB . 53602 1 694 . 1 . 1 125 125 THR CG2 C 13 21.5290 0.0000 . 1 . . 66145 . . 124 THR CG2 . 53602 1 695 . 1 . 1 125 125 THR N N 15 117.8744 0.0000 . 1 . . 20165 . . 124 THR N . 53602 1 696 . 1 . 1 126 126 LYS H H 1 9.5022 0.0000 . 1 . . 23847 . . 125 LYS H . 53602 1 697 . 1 . 1 126 126 LYS C C 13 175.5693 0.0000 . 1 . . 19435 . . 125 LYS C . 53602 1 698 . 1 . 1 126 126 LYS CA C 13 55.6939 0.0000 . 1 . . 25252 . . 125 LYS CA . 53602 1 699 . 1 . 1 126 126 LYS CB C 13 35.5204 0.0000 . 1 . . 26191 . . 125 LYS CB . 53602 1 700 . 1 . 1 126 126 LYS N N 15 129.0150 0.0000 . 1 . . 23849 . . 125 LYS N . 53602 1 701 . 1 . 1 127 127 GLY H H 1 8.9608 0.0000 . 1 . . 23421 . . 126 GLY H . 53602 1 702 . 1 . 1 127 127 GLY C C 13 171.1456 0.0000 . 1 . . 20359 . . 126 GLY C . 53602 1 703 . 1 . 1 127 127 GLY CA C 13 44.1578 0.0000 . 1 . . 25849 . . 126 GLY CA . 53602 1 704 . 1 . 1 127 127 GLY N N 15 114.2859 0.0000 . 1 . . 23423 . . 126 GLY N . 53602 1 705 . 1 . 1 128 128 PRO C C 13 177.3079 0.0000 . 1 . . 20248 . . 127 PRO C . 53602 1 706 . 1 . 1 128 128 PRO CA C 13 61.7910 0.0000 . 1 . . 24250 . . 127 PRO CA . 53602 1 707 . 1 . 1 128 128 PRO CB C 13 32.3036 0.0000 . 1 . . 26416 . . 127 PRO CB . 53602 1 708 . 1 . 1 129 129 SER H H 1 8.3847 0.0000 . 1 . . 20253 . . 128 SER H . 53602 1 709 . 1 . 1 129 129 SER C C 13 171.9334 0.0000 . 1 . . 20254 . . 128 SER C . 53602 1 710 . 1 . 1 129 129 SER CA C 13 57.8728 0.0000 . 1 . . 25090 . . 128 SER CA . 53602 1 711 . 1 . 1 129 129 SER CB C 13 64.6952 0.0000 . 1 . . 24721 . . 128 SER CB . 53602 1 712 . 1 . 1 129 129 SER N N 15 116.1117 0.0000 . 1 . . 20255 . . 128 SER N . 53602 1 713 . 1 . 1 130 130 VAL H H 1 7.9353 0.0000 . 1 . . 26559 . . 129 VAL H . 53602 1 714 . 1 . 1 130 130 VAL HG11 H 1 0.5090 0.0000 . 2 . . . . . 129 VAL HG11 . 53602 1 715 . 1 . 1 130 130 VAL HG12 H 1 0.5090 0.0000 . 2 . . . . . 129 VAL HG11 . 53602 1 716 . 1 . 1 130 130 VAL HG13 H 1 0.5090 0.0000 . 2 . . . . . 129 VAL HG11 . 53602 1 717 . 1 . 1 130 130 VAL HG21 H 1 0.5830 0.0000 . 2 . . . . . 129 VAL HG21 . 53602 1 718 . 1 . 1 130 130 VAL HG22 H 1 0.5830 0.0000 . 2 . . . . . 129 VAL HG21 . 53602 1 719 . 1 . 1 130 130 VAL HG23 H 1 0.5830 0.0000 . 2 . . . . . 129 VAL HG21 . 53602 1 720 . 1 . 1 130 130 VAL C C 13 173.7663 0.0000 . 1 . . 33774 . . 129 VAL C . 53602 1 721 . 1 . 1 130 130 VAL CA C 13 60.3190 0.0000 . 1 . . 20908 . . 129 VAL CA . 53602 1 722 . 1 . 1 130 130 VAL CB C 13 32.6699 0.0000 . 1 . . 26401 . . 129 VAL CB . 53602 1 723 . 1 . 1 130 130 VAL CG1 C 13 20.8760 0.0000 . 2 . . 67887 . . 129 VAL CG1 . 53602 1 724 . 1 . 1 130 130 VAL CG2 C 13 21.3870 0.0000 . 2 . . 66190 . . 129 VAL CG2 . 53602 1 725 . 1 . 1 130 130 VAL N N 15 123.4925 0.0000 . 1 . . 26561 . . 129 VAL N . 53602 1 726 . 1 . 1 131 131 PHE H H 1 9.1619 0.0000 . 1 . . 19635 . . 130 PHE H . 53602 1 727 . 1 . 1 131 131 PHE C C 13 173.1905 0.0000 . 1 . . 19648 . . 130 PHE C . 53602 1 728 . 1 . 1 131 131 PHE CA C 13 52.4794 0.0000 . 1 . . 20758 . . 130 PHE CA . 53602 1 729 . 1 . 1 131 131 PHE CB C 13 40.6260 0.0000 . 1 . . 26044 . . 130 PHE CB . 53602 1 730 . 1 . 1 131 131 PHE N N 15 125.5649 0.0000 . 1 . . 19637 . . 130 PHE N . 53602 1 731 . 1 . 1 132 132 PRO C C 13 176.1721 0.0000 . 1 . . 57128 . . 131 PRO C . 53602 1 732 . 1 . 1 132 132 PRO CA C 13 62.5926 0.0000 . 1 . . 20809 . . 131 PRO CA . 53602 1 733 . 1 . 1 132 132 PRO CB C 13 32.8444 0.0000 . 1 . . 57132 . . 131 PRO CB . 53602 1 734 . 1 . 1 133 133 LEU H H 1 8.3571 0.0000 . 1 . . 19698 . . 132 LEU H . 53602 1 735 . 1 . 1 133 133 LEU HD11 H 1 0.2020 0.0000 . 2 . . . . . 132 LEU HD11 . 53602 1 736 . 1 . 1 133 133 LEU HD12 H 1 0.2020 0.0000 . 2 . . . . . 132 LEU HD11 . 53602 1 737 . 1 . 1 133 133 LEU HD13 H 1 0.2020 0.0000 . 2 . . . . . 132 LEU HD11 . 53602 1 738 . 1 . 1 133 133 LEU HD21 H 1 0.2740 0.0000 . 2 . . . . . 132 LEU HD21 . 53602 1 739 . 1 . 1 133 133 LEU HD22 H 1 0.2740 0.0000 . 2 . . . . . 132 LEU HD21 . 53602 1 740 . 1 . 1 133 133 LEU HD23 H 1 0.2740 0.0000 . 2 . . . . . 132 LEU HD21 . 53602 1 741 . 1 . 1 133 133 LEU C C 13 173.9575 0.0000 . 1 . . 19705 . . 132 LEU C . 53602 1 742 . 1 . 1 133 133 LEU CA C 13 52.5736 0.0000 . 1 . . 25489 . . 132 LEU CA . 53602 1 743 . 1 . 1 133 133 LEU CB C 13 38.0291 0.0000 . 1 . . 26134 . . 132 LEU CB . 53602 1 744 . 1 . 1 133 133 LEU CD1 C 13 25.6760 0.0000 . 2 . . 66040 . . 132 LEU CD1 . 53602 1 745 . 1 . 1 133 133 LEU CD2 C 13 24.5730 0.0000 . 2 . . 65974 . . 132 LEU CD2 . 53602 1 746 . 1 . 1 133 133 LEU N N 15 124.8886 0.0000 . 1 . . 19700 . . 132 LEU N . 53602 1 747 . 1 . 1 134 134 ALA H H 1 7.9781 0.0000 . 1 . . 19710 . . 133 ALA H . 53602 1 748 . 1 . 1 134 134 ALA C C 13 175.0778 0.0000 . 1 . . 19720 . . 133 ALA C . 53602 1 749 . 1 . 1 134 134 ALA CA C 13 49.6481 0.0000 . 1 . . 31681 . . 133 ALA CA . 53602 1 750 . 1 . 1 134 134 ALA CB C 13 19.0515 0.0000 . 1 . . 26665 . . 133 ALA CB . 53602 1 751 . 1 . 1 134 134 ALA N N 15 124.6826 0.0000 . 1 . . 19712 . . 133 ALA N . 53602 1 752 . 1 . 1 135 135 PRO C C 13 176.2632 0.0000 . 1 . . 27184 . . 134 PRO C . 53602 1 753 . 1 . 1 135 135 PRO CA C 13 61.5979 0.0000 . 1 . . 21388 . . 134 PRO CA . 53602 1 754 . 1 . 1 135 135 PRO CB C 13 31.0132 0.0000 . 1 . . 26485 . . 134 PRO CB . 53602 1 755 . 1 . 1 136 136 SER H H 1 8.4147 0.0000 . 1 . . 21384 . . 135 SER H . 53602 1 756 . 1 . 1 136 136 SER C C 13 176.4550 0.0000 . 1 . . 27034 . . 135 SER C . 53602 1 757 . 1 . 1 136 136 SER CA C 13 57.5971 0.0000 . 1 . . 21112 . . 135 SER CA . 53602 1 758 . 1 . 1 136 136 SER CB C 13 65.5514 0.0000 . 1 . . 36884 . . 135 SER CB . 53602 1 759 . 1 . 1 136 136 SER N N 15 114.5727 0.0000 . 1 . . 21386 . . 135 SER N . 53602 1 760 . 1 . 1 137 137 SER H H 1 9.0587 0.0000 . 1 . . 27033 . . 136 SER H . 53602 1 761 . 1 . 1 137 137 SER C C 13 175.8334 0.0000 . 1 . . 36809 . . 136 SER C . 53602 1 762 . 1 . 1 137 137 SER CA C 13 60.3298 0.0000 . 1 . . 21106 . . 136 SER CA . 53602 1 763 . 1 . 1 137 137 SER CB C 13 63.1077 0.0000 . 1 . . 36911 . . 136 SER CB . 53602 1 764 . 1 . 1 137 137 SER N N 15 120.3560 0.0000 . 1 . . 27035 . . 136 SER N . 53602 1 765 . 1 . 1 138 138 LYS H H 1 8.2466 0.0000 . 1 . . 26247 . . 137 LYS H . 53602 1 766 . 1 . 1 138 138 LYS C C 13 176.9864 0.0000 . 1 . . 19987 . . 137 LYS C . 53602 1 767 . 1 . 1 138 138 LYS CA C 13 56.2564 0.0000 . 1 . . 36054 . . 137 LYS CA . 53602 1 768 . 1 . 1 138 138 LYS CB C 13 31.6713 0.0000 . 1 . . 36051 . . 137 LYS CB . 53602 1 769 . 1 . 1 138 138 LYS N N 15 120.8569 0.0000 . 1 . . 26249 . . 137 LYS N . 53602 1 770 . 1 . 1 139 139 SER H H 1 8.0512 0.0000 . 1 . . 20241 . . 138 SER H . 53602 1 771 . 1 . 1 139 139 SER C C 13 173.6884 0.0000 . 1 . . 20266 . . 138 SER C . 53602 1 772 . 1 . 1 139 139 SER CA C 13 57.5546 0.0000 . 1 . . 25210 . . 138 SER CA . 53602 1 773 . 1 . 1 139 139 SER CB C 13 64.0020 0.0000 . 1 . . 24724 . . 138 SER CB . 53602 1 774 . 1 . 1 139 139 SER N N 15 115.9607 0.0000 . 1 . . 20243 . . 138 SER N . 53602 1 775 . 1 . 1 140 140 THR H H 1 7.5433 0.0000 . 1 . . 23349 . . 139 THR H . 53602 1 776 . 1 . 1 140 140 THR HG21 H 1 1.2210 0.0000 . 1 . . . . . 139 THR HG21 . 53602 1 777 . 1 . 1 140 140 THR HG22 H 1 1.2210 0.0000 . 1 . . . . . 139 THR HG21 . 53602 1 778 . 1 . 1 140 140 THR HG23 H 1 1.2210 0.0000 . 1 . . . . . 139 THR HG21 . 53602 1 779 . 1 . 1 140 140 THR C C 13 174.5316 0.0000 . 1 . . 20305 . . 139 THR C . 53602 1 780 . 1 . 1 140 140 THR CA C 13 61.3309 0.0000 . 1 . . 39885 . . 139 THR CA . 53602 1 781 . 1 . 1 140 140 THR CB C 13 69.8962 0.0000 . 1 . . 24574 . . 139 THR CB . 53602 1 782 . 1 . 1 140 140 THR CG2 C 13 20.7110 0.0000 . 1 . . 66253 . . 139 THR CG2 . 53602 1 783 . 1 . 1 140 140 THR N N 15 115.2806 0.0000 . 1 . . 23351 . . 139 THR N . 53602 1 784 . 1 . 1 141 141 SER H H 1 8.6024 0.0000 . 1 . . 25179 . . 140 SER H . 53602 1 785 . 1 . 1 141 141 SER C C 13 175.3728 0.0000 . 1 . . 20104 . . 140 SER C . 53602 1 786 . 1 . 1 141 141 SER CA C 13 57.9767 0.0000 . 1 . . 21172 . . 140 SER CA . 53602 1 787 . 1 . 1 141 141 SER CB C 13 63.6343 0.0000 . 1 . . 37898 . . 140 SER CB . 53602 1 788 . 1 . 1 141 141 SER N N 15 119.2852 0.0000 . 1 . . 25181 . . 140 SER N . 53602 1 789 . 1 . 1 142 142 GLY H H 1 8.7243 0.0000 . 1 . . 23439 . . 141 GLY H . 53602 1 790 . 1 . 1 142 142 GLY C C 13 175.2930 0.0000 . 1 . . 20320 . . 141 GLY C . 53602 1 791 . 1 . 1 142 142 GLY CA C 13 46.4044 0.0000 . 1 . . 21382 . . 141 GLY CA . 53602 1 792 . 1 . 1 142 142 GLY N N 15 114.8720 0.0000 . 1 . . 23441 . . 141 GLY N . 53602 1 793 . 1 . 1 143 143 GLY H H 1 8.4999 0.0000 . 1 . . 23745 . . 142 GLY H . 53602 1 794 . 1 . 1 143 143 GLY C C 13 174.9503 0.0000 . 1 . . 20470 . . 142 GLY C . 53602 1 795 . 1 . 1 143 143 GLY CA C 13 45.5761 0.0000 . 1 . . 25786 . . 142 GLY CA . 53602 1 796 . 1 . 1 143 143 GLY N N 15 109.9781 0.0000 . 1 . . 23747 . . 142 GLY N . 53602 1 797 . 1 . 1 144 144 THR H H 1 8.0421 0.0000 . 1 . . 27081 . . 143 THR H . 53602 1 798 . 1 . 1 144 144 THR HG21 H 1 1.1610 0.0000 . 1 . . . . . 143 THR HG21 . 53602 1 799 . 1 . 1 144 144 THR HG22 H 1 1.1610 0.0000 . 1 . . . . . 143 THR HG21 . 53602 1 800 . 1 . 1 144 144 THR HG23 H 1 1.1610 0.0000 . 1 . . . . . 143 THR HG21 . 53602 1 801 . 1 . 1 144 144 THR C C 13 172.1052 0.0000 . 1 . . 20128 . . 143 THR C . 53602 1 802 . 1 . 1 144 144 THR CA C 13 61.5735 0.0000 . 1 . . 21187 . . 143 THR CA . 53602 1 803 . 1 . 1 144 144 THR CB C 13 71.1197 0.0000 . 1 . . 24526 . . 143 THR CB . 53602 1 804 . 1 . 1 144 144 THR CG2 C 13 21.7970 0.0000 . 1 . . 66151 . . 143 THR CG2 . 53602 1 805 . 1 . 1 144 144 THR N N 15 118.7233 0.0000 . 1 . . 27083 . . 143 THR N . 53602 1 806 . 1 . 1 145 145 ALA H H 1 9.2899 0.0000 . 1 . . 26766 . . 144 ALA H . 53602 1 807 . 1 . 1 145 145 ALA HB1 H 1 1.1610 0.0000 . 1 . . . . . 144 ALA HB1 . 53602 1 808 . 1 . 1 145 145 ALA HB2 H 1 1.1610 0.0000 . 1 . . . . . 144 ALA HB1 . 53602 1 809 . 1 . 1 145 145 ALA HB3 H 1 1.1610 0.0000 . 1 . . . . . 144 ALA HB1 . 53602 1 810 . 1 . 1 145 145 ALA C C 13 174.1952 0.0000 . 1 . . 19489 . . 144 ALA C . 53602 1 811 . 1 . 1 145 145 ALA CA C 13 49.5086 0.0000 . 1 . . 25654 . . 144 ALA CA . 53602 1 812 . 1 . 1 145 145 ALA CB C 13 21.9371 0.0000 . 1 . . 26632 . . 144 ALA CB . 53602 1 813 . 1 . 1 145 145 ALA N N 15 127.8114 0.0000 . 1 . . 26768 . . 144 ALA N . 53602 1 814 . 1 . 1 146 146 ALA H H 1 7.4331 0.0000 . 1 . . 27018 . . 145 ALA H . 53602 1 815 . 1 . 1 146 146 ALA C C 13 174.9902 0.0000 . 1 . . 20008 . . 145 ALA C . 53602 1 816 . 1 . 1 146 146 ALA CA C 13 49.2842 0.0000 . 1 . . 36392 . . 145 ALA CA . 53602 1 817 . 1 . 1 146 146 ALA N N 15 120.8263 0.0000 . 1 . . 27020 . . 145 ALA N . 53602 1 818 . 1 . 1 147 147 LEU H H 1 8.3398 0.0000 . 1 . . 56160 . . 146 LEU H . 53602 1 819 . 1 . 1 147 147 LEU HD11 H 1 0.2720 0.0000 . 2 . . . . . 146 LEU HD11 . 53602 1 820 . 1 . 1 147 147 LEU HD12 H 1 0.2720 0.0000 . 2 . . . . . 146 LEU HD11 . 53602 1 821 . 1 . 1 147 147 LEU HD13 H 1 0.2720 0.0000 . 2 . . . . . 146 LEU HD11 . 53602 1 822 . 1 . 1 147 147 LEU HD21 H 1 0.2440 0.0000 . 2 . . . . . 146 LEU HD21 . 53602 1 823 . 1 . 1 147 147 LEU HD22 H 1 0.2440 0.0000 . 2 . . . . . 146 LEU HD21 . 53602 1 824 . 1 . 1 147 147 LEU HD23 H 1 0.2440 0.0000 . 2 . . . . . 146 LEU HD21 . 53602 1 825 . 1 . 1 147 147 LEU C C 13 174.9707 0.0000 . 1 . . 27355 . . 146 LEU C . 53602 1 826 . 1 . 1 147 147 LEU CA C 13 53.4915 0.0000 . 1 . . 24493 . . 146 LEU CA . 53602 1 827 . 1 . 1 147 147 LEU CB C 13 44.0880 0.0000 . 1 . . 23815 . . 146 LEU CB . 53602 1 828 . 1 . 1 147 147 LEU CD1 C 13 26.8330 0.0000 . 2 . . . . . 146 LEU CD1 . 53602 1 829 . 1 . 1 147 147 LEU CD2 C 13 26.3880 0.0000 . 2 . . . . . 146 LEU CD2 . 53602 1 830 . 1 . 1 147 147 LEU N N 15 117.4251 0.0000 . 1 . . 56162 . . 146 LEU N . 53602 1 831 . 1 . 1 148 148 GLY H H 1 8.8403 0.0000 . 1 . . 20535 . . 147 GLY H . 53602 1 832 . 1 . 1 148 148 GLY C C 13 171.8018 0.0000 . 1 . . 20536 . . 147 GLY C . 53602 1 833 . 1 . 1 148 148 GLY CA C 13 48.4598 0.0000 . 1 . . 49601 . . 147 GLY CA . 53602 1 834 . 1 . 1 148 148 GLY N N 15 105.4969 0.0000 . 1 . . 20537 . . 147 GLY N . 53602 1 835 . 1 . 1 149 149 CYS H H 1 9.4794 0.0000 . 1 . . 27096 . . 148 CYS H . 53602 1 836 . 1 . 1 149 149 CYS C C 13 171.1564 0.0000 . 1 . . 20155 . . 148 CYS C . 53602 1 837 . 1 . 1 149 149 CYS CA C 13 54.3103 0.0000 . 1 . . 25426 . . 148 CYS CA . 53602 1 838 . 1 . 1 149 149 CYS N N 15 118.0981 0.0000 . 1 . . 27098 . . 148 CYS N . 53602 1 839 . 1 . 1 150 150 LEU H H 1 9.3885 0.0000 . 1 . . 26778 . . 149 LEU H . 53602 1 840 . 1 . 1 150 150 LEU HD11 H 1 0.8000 0.0000 . 2 . . . . . 149 LEU HD11 . 53602 1 841 . 1 . 1 150 150 LEU HD12 H 1 0.8000 0.0000 . 2 . . . . . 149 LEU HD11 . 53602 1 842 . 1 . 1 150 150 LEU HD13 H 1 0.8000 0.0000 . 2 . . . . . 149 LEU HD11 . 53602 1 843 . 1 . 1 150 150 LEU HD21 H 1 0.7420 0.0000 . 2 . . . . . 149 LEU HD21 . 53602 1 844 . 1 . 1 150 150 LEU HD22 H 1 0.7420 0.0000 . 2 . . . . . 149 LEU HD21 . 53602 1 845 . 1 . 1 150 150 LEU HD23 H 1 0.7420 0.0000 . 2 . . . . . 149 LEU HD21 . 53602 1 846 . 1 . 1 150 150 LEU C C 13 173.6979 0.0000 . 1 . . 19510 . . 149 LEU C . 53602 1 847 . 1 . 1 150 150 LEU CA C 13 53.9460 0.0000 . 1 . . 29251 . . 149 LEU CA . 53602 1 848 . 1 . 1 150 150 LEU CB C 13 43.1372 0.0000 . 1 . . 25876 . . 149 LEU CB . 53602 1 849 . 1 . 1 150 150 LEU CD1 C 13 25.8640 0.0000 . 2 . . 66079 . . 149 LEU CD1 . 53602 1 850 . 1 . 1 150 150 LEU CD2 C 13 23.0500 0.0000 . 2 . . 66079 . . 149 LEU CD2 . 53602 1 851 . 1 . 1 150 150 LEU N N 15 127.4854 0.0000 . 1 . . 26780 . . 149 LEU N . 53602 1 852 . 1 . 1 151 151 VAL H H 1 9.3386 0.0000 . 1 . . 19410 . . 150 VAL H . 53602 1 853 . 1 . 1 151 151 VAL HG11 H 1 0.5680 0.0000 . 2 . . . . . 150 VAL HG11 . 53602 1 854 . 1 . 1 151 151 VAL HG12 H 1 0.5680 0.0000 . 2 . . . . . 150 VAL HG11 . 53602 1 855 . 1 . 1 151 151 VAL HG13 H 1 0.5680 0.0000 . 2 . . . . . 150 VAL HG11 . 53602 1 856 . 1 . 1 151 151 VAL HG21 H 1 0.5550 0.0000 . 2 . . . . . 150 VAL HG21 . 53602 1 857 . 1 . 1 151 151 VAL HG22 H 1 0.5550 0.0000 . 2 . . . . . 150 VAL HG21 . 53602 1 858 . 1 . 1 151 151 VAL HG23 H 1 0.5550 0.0000 . 2 . . . . . 150 VAL HG21 . 53602 1 859 . 1 . 1 151 151 VAL CA C 13 61.6518 0.0000 . 1 . . 24829 . . 150 VAL CA . 53602 1 860 . 1 . 1 151 151 VAL CB C 13 30.2678 0.0000 . 1 . . 26443 . . 150 VAL CB . 53602 1 861 . 1 . 1 151 151 VAL CG1 C 13 22.9780 0.0000 . 2 . . 66262 . . 150 VAL CG1 . 53602 1 862 . 1 . 1 151 151 VAL CG2 C 13 20.9540 0.0000 . 2 . . 66085 . . 150 VAL CG2 . 53602 1 863 . 1 . 1 151 151 VAL N N 15 129.6505 0.0000 . 1 . . 19412 . . 150 VAL N . 53602 1 864 . 1 . 1 152 152 LYS H H 1 8.8062 0.0000 . 1 . . 24993 . . 151 LYS H . 53602 1 865 . 1 . 1 152 152 LYS C C 13 174.7674 0.0000 . 1 . . 19549 . . 151 LYS C . 53602 1 866 . 1 . 1 152 152 LYS CA C 13 55.7662 0.0000 . 1 . . 20692 . . 151 LYS CA . 53602 1 867 . 1 . 1 152 152 LYS CB C 13 36.8265 0.0000 . 1 . . 26155 . . 151 LYS CB . 53602 1 868 . 1 . 1 152 152 LYS N N 15 127.0821 0.0000 . 1 . . 24995 . . 151 LYS N . 53602 1 869 . 1 . 1 153 153 ASP H H 1 8.0020 0.0000 . 1 . . 20061 . . 152 ASP H . 53602 1 870 . 1 . 1 153 153 ASP C C 13 172.0403 0.0000 . 1 . . 20062 . . 152 ASP C . 53602 1 871 . 1 . 1 153 153 ASP CA C 13 55.4319 0.0000 . 1 . . 37155 . . 152 ASP CA . 53602 1 872 . 1 . 1 153 153 ASP CB C 13 36.9887 0.0000 . 1 . . 37158 . . 152 ASP CB . 53602 1 873 . 1 . 1 153 153 ASP N N 15 120.3954 0.0000 . 1 . . 20063 . . 152 ASP N . 53602 1 874 . 1 . 1 154 154 TYR H H 1 7.7161 0.0000 . 1 . . 27216 . . 153 TYR H . 53602 1 875 . 1 . 1 154 154 TYR C C 13 174.0548 0.0000 . 1 . . 20380 . . 153 TYR C . 53602 1 876 . 1 . 1 154 154 TYR CA C 13 54.2936 0.0000 . 1 . . 25441 . . 153 TYR CA . 53602 1 877 . 1 . 1 154 154 TYR CB C 13 41.8512 0.0000 . 1 . . 25999 . . 153 TYR CB . 53602 1 878 . 1 . 1 154 154 TYR N N 15 114.0229 0.0000 . 1 . . 27218 . . 153 TYR N . 53602 1 879 . 1 . 1 155 155 PHE H H 1 9.4485 0.0000 . 1 . . 19962 . . 154 PHE H . 53602 1 880 . 1 . 1 155 155 PHE C C 13 173.7170 0.0000 . 1 . . 19981 . . 154 PHE C . 53602 1 881 . 1 . 1 155 155 PHE CA C 13 58.2457 0.0000 . 1 . . 25054 . . 154 PHE CA . 53602 1 882 . 1 . 1 155 155 PHE CB C 13 43.0642 0.0000 . 1 . . 25909 . . 154 PHE CB . 53602 1 883 . 1 . 1 155 155 PHE N N 15 121.1165 0.0000 . 1 . . 19964 . . 154 PHE N . 53602 1 884 . 1 . 1 158 158 PRO C C 13 176.4238 0.0000 . 1 . . 27127 . . 157 PRO C . 53602 1 885 . 1 . 1 158 158 PRO CA C 13 61.6046 0.0000 . 1 . . 21277 . . 157 PRO CA . 53602 1 886 . 1 . 1 158 158 PRO CB C 13 34.3503 0.0000 . 1 . . 26263 . . 157 PRO CB . 53602 1 887 . 1 . 1 159 159 VAL H H 1 7.9342 0.0000 . 1 . . 27126 . . 158 VAL H . 53602 1 888 . 1 . 1 159 159 VAL HG11 H 1 0.3580 0.0000 . 2 . . . . . 158 VAL HG11 . 53602 1 889 . 1 . 1 159 159 VAL HG12 H 1 0.3580 0.0000 . 2 . . . . . 158 VAL HG11 . 53602 1 890 . 1 . 1 159 159 VAL HG13 H 1 0.3580 0.0000 . 2 . . . . . 158 VAL HG11 . 53602 1 891 . 1 . 1 159 159 VAL HG21 H 1 0.2090 0.0000 . 2 . . . . . 158 VAL HG21 . 53602 1 892 . 1 . 1 159 159 VAL HG22 H 1 0.2090 0.0000 . 2 . . . . . 158 VAL HG21 . 53602 1 893 . 1 . 1 159 159 VAL HG23 H 1 0.2090 0.0000 . 2 . . . . . 158 VAL HG21 . 53602 1 894 . 1 . 1 159 159 VAL C C 13 174.7710 0.0000 . 1 . . 20221 . . 158 VAL C . 53602 1 895 . 1 . 1 159 159 VAL CA C 13 59.8925 0.0000 . 1 . . 21280 . . 158 VAL CA . 53602 1 896 . 1 . 1 159 159 VAL CG1 C 13 21.6590 0.0000 . 2 . . 66223 . . 158 VAL CG1 . 53602 1 897 . 1 . 1 159 159 VAL CG2 C 13 21.1960 0.0000 . 2 . . 67912 . . 158 VAL CG2 . 53602 1 898 . 1 . 1 159 159 VAL N N 15 116.8369 0.0000 . 1 . . 27128 . . 158 VAL N . 53602 1 899 . 1 . 1 160 160 THR H H 1 8.3352 0.0000 . 1 . . 20202 . . 159 THR H . 53602 1 900 . 1 . 1 160 160 THR HG21 H 1 1.1340 0.0000 . 1 . . . . . 159 THR HG21 . 53602 1 901 . 1 . 1 160 160 THR HG22 H 1 1.1340 0.0000 . 1 . . . . . 159 THR HG21 . 53602 1 902 . 1 . 1 160 160 THR HG23 H 1 1.1340 0.0000 . 1 . . . . . 159 THR HG21 . 53602 1 903 . 1 . 1 160 160 THR C C 13 173.4857 0.0000 . 1 . . 26899 . . 159 THR C . 53602 1 904 . 1 . 1 160 160 THR CA C 13 60.4749 0.0000 . 1 . . 21238 . . 159 THR CA . 53602 1 905 . 1 . 1 160 160 THR CB C 13 70.4809 0.0000 . 1 . . 22780 . . 159 THR CB . 53602 1 906 . 1 . 1 160 160 THR CG2 C 13 21.3470 0.0000 . 1 . . 66205 . . 159 THR CG2 . 53602 1 907 . 1 . 1 160 160 THR N N 15 117.3720 0.0000 . 1 . . 20204 . . 159 THR N . 53602 1 908 . 1 . 1 161 161 VAL H H 1 8.6459 0.0000 . 1 . . 19755 . . 160 VAL H . 53602 1 909 . 1 . 1 161 161 VAL HG11 H 1 0.5260 0.0000 . 2 . . . . . 160 VAL HG11 . 53602 1 910 . 1 . 1 161 161 VAL HG12 H 1 0.5260 0.0000 . 2 . . . . . 160 VAL HG11 . 53602 1 911 . 1 . 1 161 161 VAL HG13 H 1 0.5260 0.0000 . 2 . . . . . 160 VAL HG11 . 53602 1 912 . 1 . 1 161 161 VAL HG21 H 1 0.7430 0.0000 . 2 . . . . . 160 VAL HG21 . 53602 1 913 . 1 . 1 161 161 VAL HG22 H 1 0.7430 0.0000 . 2 . . . . . 160 VAL HG21 . 53602 1 914 . 1 . 1 161 161 VAL HG23 H 1 0.7430 0.0000 . 2 . . . . . 160 VAL HG21 . 53602 1 915 . 1 . 1 161 161 VAL C C 13 175.2174 0.0000 . 1 . . 19762 . . 160 VAL C . 53602 1 916 . 1 . 1 161 161 VAL CA C 13 60.5940 0.0000 . 1 . . 32435 . . 160 VAL CA . 53602 1 917 . 1 . 1 161 161 VAL CB C 13 33.7148 0.0000 . 1 . . 26236 . . 160 VAL CB . 53602 1 918 . 1 . 1 161 161 VAL CG1 C 13 21.1070 0.0000 . 2 . . 67917 . . 160 VAL CG1 . 53602 1 919 . 1 . 1 161 161 VAL CG2 C 13 21.8800 0.0000 . 2 . . 66214 . . 160 VAL CG2 . 53602 1 920 . 1 . 1 161 161 VAL N N 15 124.0315 0.0000 . 1 . . 19757 . . 160 VAL N . 53602 1 921 . 1 . 1 162 162 SER H H 1 8.7853 0.0000 . 1 . . 26949 . . 161 SER H . 53602 1 922 . 1 . 1 162 162 SER C C 13 170.9678 0.0000 . 1 . . 19873 . . 161 SER C . 53602 1 923 . 1 . 1 162 162 SER CA C 13 56.1410 0.0000 . 1 . . 25156 . . 161 SER CA . 53602 1 924 . 1 . 1 162 162 SER CB C 13 66.6819 0.0000 . 1 . . 24619 . . 161 SER CB . 53602 1 925 . 1 . 1 162 162 SER N N 15 123.2020 0.0000 . 1 . . 26951 . . 161 SER N . 53602 1 926 . 1 . 1 163 163 TRP H H 1 9.1632 0.0000 . 1 . . 20064 . . 162 TRP H . 53602 1 927 . 1 . 1 163 163 TRP C C 13 177.5100 0.0000 . 1 . . 20038 . . 162 TRP C . 53602 1 928 . 1 . 1 163 163 TRP CA C 13 56.1512 0.0000 . 1 . . 21121 . . 162 TRP CA . 53602 1 929 . 1 . 1 163 163 TRP CB C 13 30.9175 0.0000 . 1 . . 26473 . . 162 TRP CB . 53602 1 930 . 1 . 1 163 163 TRP N N 15 120.2298 0.0000 . 1 . . 20066 . . 162 TRP N . 53602 1 931 . 1 . 1 164 164 ASN H H 1 10.4048 0.0000 . 1 . . 19587 . . 163 ASN H . 53602 1 932 . 1 . 1 164 164 ASN C C 13 177.0185 0.0000 . 1 . . 19591 . . 163 ASN C . 53602 1 933 . 1 . 1 164 164 ASN CA C 13 53.7712 0.0000 . 1 . . 20725 . . 163 ASN CA . 53602 1 934 . 1 . 1 164 164 ASN CB C 13 35.6090 0.0000 . 1 . . 26197 . . 163 ASN CB . 53602 1 935 . 1 . 1 164 164 ASN N N 15 126.0794 0.0000 . 1 . . 19589 . . 163 ASN N . 53602 1 936 . 1 . 1 165 165 SER H H 1 9.6364 0.0000 . 1 . . 24405 . . 164 SER H . 53602 1 937 . 1 . 1 165 165 SER C C 13 174.6281 0.0000 . 1 . . 46442 . . 164 SER C . 53602 1 938 . 1 . 1 165 165 SER CA C 13 58.7037 0.0000 . 1 . . 21532 . . 164 SER CA . 53602 1 939 . 1 . 1 165 165 SER CB C 13 61.2453 0.0000 . 1 . . 24979 . . 164 SER CB . 53602 1 940 . 1 . 1 165 165 SER N N 15 112.3838 0.0000 . 1 . . 24407 . . 164 SER N . 53602 1 941 . 1 . 1 166 166 GLY H H 1 7.7718 0.0000 . 1 . . 20520 . . 165 GLY H . 53602 1 942 . 1 . 1 166 166 GLY C C 13 174.3627 0.0000 . 1 . . 20521 . . 165 GLY C . 53602 1 943 . 1 . 1 166 166 GLY CA C 13 44.1038 0.0000 . 1 . . 25870 . . 165 GLY CA . 53602 1 944 . 1 . 1 166 166 GLY N N 15 106.0651 0.0000 . 1 . . 20522 . . 165 GLY N . 53602 1 945 . 1 . 1 167 167 ALA H H 1 7.6735 0.0000 . 1 . . 19950 . . 166 ALA H . 53602 1 946 . 1 . 1 167 167 ALA HB1 H 1 1.5680 0.0000 . 1 . . . . . 166 ALA HB1 . 53602 1 947 . 1 . 1 167 167 ALA HB2 H 1 1.5680 0.0000 . 1 . . . . . 166 ALA HB1 . 53602 1 948 . 1 . 1 167 167 ALA HB3 H 1 1.5680 0.0000 . 1 . . . . . 166 ALA HB1 . 53602 1 949 . 1 . 1 167 167 ALA C C 13 177.3885 0.0000 . 1 . . 19939 . . 166 ALA C . 53602 1 950 . 1 . 1 167 167 ALA CA C 13 53.2127 0.0000 . 1 . . 25513 . . 166 ALA CA . 53602 1 951 . 1 . 1 167 167 ALA CB C 13 18.5231 0.0000 . 1 . . 26683 . . 166 ALA CB . 53602 1 952 . 1 . 1 167 167 ALA N N 15 121.4409 0.0000 . 1 . . 19952 . . 166 ALA N . 53602 1 953 . 1 . 1 168 168 LEU H H 1 7.1329 0.0000 . 1 . . 25974 . . 167 LEU H . 53602 1 954 . 1 . 1 168 168 LEU HD11 H 1 1.0070 0.0000 . 2 . . . . . 167 LEU HD11 . 53602 1 955 . 1 . 1 168 168 LEU HD12 H 1 1.0070 0.0000 . 2 . . . . . 167 LEU HD11 . 53602 1 956 . 1 . 1 168 168 LEU HD13 H 1 1.0070 0.0000 . 2 . . . . . 167 LEU HD11 . 53602 1 957 . 1 . 1 168 168 LEU HD21 H 1 0.8310 0.0000 . 2 . . . . . 167 LEU HD21 . 53602 1 958 . 1 . 1 168 168 LEU HD22 H 1 0.8310 0.0000 . 2 . . . . . 167 LEU HD21 . 53602 1 959 . 1 . 1 168 168 LEU HD23 H 1 0.8310 0.0000 . 2 . . . . . 167 LEU HD21 . 53602 1 960 . 1 . 1 168 168 LEU C C 13 174.5335 0.0000 . 1 . . 20089 . . 167 LEU C . 53602 1 961 . 1 . 1 168 168 LEU CA C 13 53.9984 0.0000 . 1 . . 25420 . . 167 LEU CA . 53602 1 962 . 1 . 1 168 168 LEU CB C 13 41.7681 0.0000 . 1 . . 25978 . . 167 LEU CB . 53602 1 963 . 1 . 1 168 168 LEU CD1 C 13 23.7410 0.0000 . 2 . . 66058 . . 167 LEU CD1 . 53602 1 964 . 1 . 1 168 168 LEU CD2 C 13 26.1630 0.0000 . 2 . . 65965 . . 167 LEU CD2 . 53602 1 965 . 1 . 1 168 168 LEU N N 15 119.6943 0.0000 . 1 . . 25976 . . 167 LEU N . 53602 1 966 . 1 . 1 169 169 THR H H 1 8.5600 0.0000 . 1 . . 20346 . . 168 THR H . 53602 1 967 . 1 . 1 169 169 THR HG21 H 1 1.1310 0.0000 . 1 . . . . . 168 THR HG21 . 53602 1 968 . 1 . 1 169 169 THR HG22 H 1 1.1310 0.0000 . 1 . . . . . 168 THR HG21 . 53602 1 969 . 1 . 1 169 169 THR HG23 H 1 1.1310 0.0000 . 1 . . . . . 168 THR HG21 . 53602 1 970 . 1 . 1 169 169 THR C C 13 175.3187 0.0000 . 1 . . 20350 . . 168 THR C . 53602 1 971 . 1 . 1 169 169 THR CA C 13 61.1628 0.0000 . 1 . . 21394 . . 168 THR CA . 53602 1 972 . 1 . 1 169 169 THR CB C 13 70.2970 0.0000 . 1 . . 24583 . . 168 THR CB . 53602 1 973 . 1 . 1 169 169 THR CG2 C 13 21.4600 0.0000 . 1 . . 66220 . . 168 THR CG2 . 53602 1 974 . 1 . 1 169 169 THR N N 15 114.7511 0.0000 . 1 . . 20348 . . 168 THR N . 53602 1 975 . 1 . 1 170 170 SER H H 1 8.0246 0.0000 . 1 . . 20004 . . 169 SER H . 53602 1 976 . 1 . 1 170 170 SER C C 13 174.7296 0.0000 . 1 . . 36112 . . 169 SER C . 53602 1 977 . 1 . 1 170 170 SER CA C 13 58.8691 0.0000 . 1 . . 25003 . . 169 SER CA . 53602 1 978 . 1 . 1 170 170 SER CB C 13 63.1501 0.0000 . 1 . . 24787 . . 169 SER CB . 53602 1 979 . 1 . 1 170 170 SER N N 15 120.8081 0.0000 . 1 . . 20006 . . 169 SER N . 53602 1 980 . 1 . 1 171 171 GLY H H 1 8.5604 0.0000 . 1 . . 20400 . . 170 GLY H . 53602 1 981 . 1 . 1 171 171 GLY C C 13 173.4391 0.0000 . 1 . . 20410 . . 170 GLY C . 53602 1 982 . 1 . 1 171 171 GLY CA C 13 45.3172 0.0000 . 1 . . 43683 . . 170 GLY CA . 53602 1 983 . 1 . 1 171 171 GLY N N 15 113.3070 0.0000 . 1 . . 20402 . . 170 GLY N . 53602 1 984 . 1 . 1 172 172 VAL H H 1 6.9027 0.0000 . 1 . . 24882 . . 171 VAL H . 53602 1 985 . 1 . 1 172 172 VAL HG11 H 1 0.8660 0.0000 . 2 . . . . . 171 VAL HG11 . 53602 1 986 . 1 . 1 172 172 VAL HG12 H 1 0.8660 0.0000 . 2 . . . . . 171 VAL HG11 . 53602 1 987 . 1 . 1 172 172 VAL HG13 H 1 0.8660 0.0000 . 2 . . . . . 171 VAL HG11 . 53602 1 988 . 1 . 1 172 172 VAL HG21 H 1 0.5130 0.0000 . 2 . . . . . 171 VAL HG21 . 53602 1 989 . 1 . 1 172 172 VAL HG22 H 1 0.5130 0.0000 . 2 . . . . . 171 VAL HG21 . 53602 1 990 . 1 . 1 172 172 VAL HG23 H 1 0.5130 0.0000 . 2 . . . . . 171 VAL HG21 . 53602 1 991 . 1 . 1 172 172 VAL C C 13 177.1290 0.0000 . 1 . . 20086 . . 171 VAL C . 53602 1 992 . 1 . 1 172 172 VAL CA C 13 61.2867 0.0000 . 1 . . 24886 . . 171 VAL CA . 53602 1 993 . 1 . 1 172 172 VAL CB C 13 32.4364 0.0000 . 1 . . 26410 . . 171 VAL CB . 53602 1 994 . 1 . 1 172 172 VAL CG1 C 13 20.8100 0.0000 . 2 . . 67922 . . 171 VAL CG1 . 53602 1 995 . 1 . 1 172 172 VAL CG2 C 13 21.1070 0.0000 . 2 . . 66247 . . 171 VAL CG2 . 53602 1 996 . 1 . 1 172 172 VAL N N 15 119.7015 0.0000 . 1 . . 24884 . . 171 VAL N . 53602 1 997 . 1 . 1 173 173 HIS H H 1 9.2560 0.0000 . 1 . . 19656 . . 172 HIS H . 53602 1 998 . 1 . 1 173 173 HIS C C 13 172.4820 0.0000 . 1 . . 19687 . . 172 HIS C . 53602 1 999 . 1 . 1 173 173 HIS CA C 13 54.0317 0.0000 . 1 . . 20794 . . 172 HIS CA . 53602 1 1000 . 1 . 1 173 173 HIS CB C 13 29.8020 0.0000 . 1 . . 26524 . . 172 HIS CB . 53602 1 1001 . 1 . 1 173 173 HIS N N 15 125.1671 0.0000 . 1 . . 19658 . . 172 HIS N . 53602 1 1002 . 1 . 1 174 174 THR H H 1 8.7946 0.0000 . 1 . . 24855 . . 173 THR H . 53602 1 1003 . 1 . 1 174 174 THR HG21 H 1 1.2830 0.0000 . 1 . . . . . 173 THR HG21 . 53602 1 1004 . 1 . 1 174 174 THR HG22 H 1 1.2830 0.0000 . 1 . . . . . 173 THR HG21 . 53602 1 1005 . 1 . 1 174 174 THR HG23 H 1 1.2830 0.0000 . 1 . . . . . 173 THR HG21 . 53602 1 1006 . 1 . 1 174 174 THR C C 13 173.7587 0.0000 . 1 . . 19747 . . 173 THR C . 53602 1 1007 . 1 . 1 174 174 THR CA C 13 61.9227 0.0000 . 1 . . 20848 . . 173 THR CA . 53602 1 1008 . 1 . 1 174 174 THR CB C 13 68.2774 0.0000 . 1 . . 24598 . . 173 THR CB . 53602 1 1009 . 1 . 1 174 174 THR CG2 C 13 23.1320 0.0000 . 1 . . 66064 . . 173 THR CG2 . 53602 1 1010 . 1 . 1 174 174 THR N N 15 124.2092 0.0000 . 1 . . 24857 . . 173 THR N . 53602 1 1011 . 1 . 1 175 175 PHE H H 1 8.6290 0.0000 . 1 . . 19440 . . 174 PHE H . 53602 1 1012 . 1 . 1 175 175 PHE C C 13 173.2657 0.0000 . 1 . . 19444 . . 174 PHE C . 53602 1 1013 . 1 . 1 175 175 PHE CA C 13 58.4460 0.0000 . 1 . . 25024 . . 174 PHE CA . 53602 1 1014 . 1 . 1 175 175 PHE CB C 13 38.2052 0.0000 . 1 . . 26122 . . 174 PHE CB . 53602 1 1015 . 1 . 1 175 175 PHE N N 15 128.8990 0.0000 . 1 . . 19442 . . 174 PHE N . 53602 1 1016 . 1 . 1 176 176 PRO C C 13 177.3872 0.0000 . 1 . . 26770 . . 175 PRO C . 53602 1 1017 . 1 . 1 176 176 PRO CA C 13 63.0297 0.0000 . 1 . . 28972 . . 175 PRO CA . 53602 1 1018 . 1 . 1 176 176 PRO CB C 13 31.3928 0.0000 . 1 . . 26638 . . 175 PRO CB . 53602 1 1019 . 1 . 1 177 177 ALA H H 1 8.9947 0.0000 . 1 . . 26769 . . 176 ALA H . 53602 1 1020 . 1 . 1 177 177 ALA HB1 H 1 1.4110 0.0000 . 1 . . . . . 176 ALA HB1 . 53602 1 1021 . 1 . 1 177 177 ALA HB2 H 1 1.4110 0.0000 . 1 . . . . . 176 ALA HB1 . 53602 1 1022 . 1 . 1 177 177 ALA HB3 H 1 1.4110 0.0000 . 1 . . . . . 176 ALA HB1 . 53602 1 1023 . 1 . 1 177 177 ALA C C 13 178.1390 0.0000 . 1 . . 19495 . . 176 ALA C . 53602 1 1024 . 1 . 1 177 177 ALA CA C 13 52.2573 0.0000 . 1 . . 29026 . . 176 ALA CA . 53602 1 1025 . 1 . 1 177 177 ALA CB C 13 20.1221 0.0000 . 1 . . 29040 . . 176 ALA CB . 53602 1 1026 . 1 . 1 177 177 ALA N N 15 127.4611 0.0000 . 1 . . 26771 . . 176 ALA N . 53602 1 1027 . 1 . 1 178 178 VAL H H 1 8.7211 0.0000 . 1 . . 24198 . . 177 VAL H . 53602 1 1028 . 1 . 1 178 178 VAL HG11 H 1 0.8890 0.0000 . 2 . . . . . 177 VAL HG11 . 53602 1 1029 . 1 . 1 178 178 VAL HG12 H 1 0.8890 0.0000 . 2 . . . . . 177 VAL HG11 . 53602 1 1030 . 1 . 1 178 178 VAL HG13 H 1 0.8890 0.0000 . 2 . . . . . 177 VAL HG11 . 53602 1 1031 . 1 . 1 178 178 VAL HG21 H 1 0.9620 0.0000 . 2 . . . . . 177 VAL HG21 . 53602 1 1032 . 1 . 1 178 178 VAL HG22 H 1 0.9620 0.0000 . 2 . . . . . 177 VAL HG21 . 53602 1 1033 . 1 . 1 178 178 VAL HG23 H 1 0.9620 0.0000 . 2 . . . . . 177 VAL HG21 . 53602 1 1034 . 1 . 1 178 178 VAL C C 13 174.7905 0.0000 . 1 . . 20143 . . 177 VAL C . 53602 1 1035 . 1 . 1 178 178 VAL CA C 13 59.7440 0.0000 . 1 . . 25009 . . 177 VAL CA . 53602 1 1036 . 1 . 1 178 178 VAL CB C 13 33.9571 0.0000 . 1 . . 26257 . . 177 VAL CB . 53602 1 1037 . 1 . 1 178 178 VAL CG1 C 13 21.2910 0.0000 . 2 . . 66070 . . 177 VAL CG1 . 53602 1 1038 . 1 . 1 178 178 VAL CG2 C 13 20.8220 0.0000 . 2 . . 67927 . . 177 VAL CG2 . 53602 1 1039 . 1 . 1 178 178 VAL N N 15 118.3740 0.0000 . 1 . . 24200 . . 177 VAL N . 53602 1 1040 . 1 . 1 179 179 LEU H H 1 8.5696 0.0000 . 1 . . 19485 . . 178 LEU H . 53602 1 1041 . 1 . 1 179 179 LEU HD11 H 1 0.1420 0.0000 . 2 . . . . . 178 LEU HD11 . 53602 1 1042 . 1 . 1 179 179 LEU HD12 H 1 0.1420 0.0000 . 2 . . . . . 178 LEU HD11 . 53602 1 1043 . 1 . 1 179 179 LEU HD13 H 1 0.1420 0.0000 . 2 . . . . . 178 LEU HD11 . 53602 1 1044 . 1 . 1 179 179 LEU HD21 H 1 0.6320 0.0000 . 2 . . . . . 178 LEU HD21 . 53602 1 1045 . 1 . 1 179 179 LEU HD22 H 1 0.6320 0.0000 . 2 . . . . . 178 LEU HD21 . 53602 1 1046 . 1 . 1 179 179 LEU HD23 H 1 0.6320 0.0000 . 2 . . . . . 178 LEU HD21 . 53602 1 1047 . 1 . 1 179 179 LEU C C 13 176.8248 0.0000 . 1 . . 19480 . . 178 LEU C . 53602 1 1048 . 1 . 1 179 179 LEU CA C 13 54.1014 0.0000 . 1 . . 20641 . . 178 LEU CA . 53602 1 1049 . 1 . 1 179 179 LEU CB C 13 41.1532 0.0000 . 1 . . 26029 . . 178 LEU CB . 53602 1 1050 . 1 . 1 179 179 LEU CD1 C 13 21.8440 0.0000 . 2 . . 66163 . . 178 LEU CD1 . 53602 1 1051 . 1 . 1 179 179 LEU CD2 C 13 25.2410 0.0000 . 2 . . 65995 . . 178 LEU CD2 . 53602 1 1052 . 1 . 1 179 179 LEU N N 15 127.7084 0.0000 . 1 . . 19487 . . 178 LEU N . 53602 1 1053 . 1 . 1 180 180 GLN H H 1 8.1328 0.0000 . 1 . . 19611 . . 179 GLN H . 53602 1 1054 . 1 . 1 180 180 GLN C C 13 178.1322 0.0000 . 1 . . 19615 . . 179 GLN C . 53602 1 1055 . 1 . 1 180 180 GLN CA C 13 54.8777 0.0000 . 1 . . 25276 . . 179 GLN CA . 53602 1 1056 . 1 . 1 180 180 GLN CB C 13 32.0514 0.0000 . 1 . . 26386 . . 179 GLN CB . 53602 1 1057 . 1 . 1 180 180 GLN N N 15 125.9216 0.0000 . 1 . . 19613 . . 179 GLN N . 53602 1 1058 . 1 . 1 181 181 SER H H 1 9.0986 0.0000 . 1 . . 20097 . . 180 SER H . 53602 1 1059 . 1 . 1 181 181 SER C C 13 174.6378 0.0000 . 1 . . 37850 . . 180 SER C . 53602 1 1060 . 1 . 1 181 181 SER CA C 13 60.7430 0.0000 . 1 . . 21169 . . 180 SER CA . 53602 1 1061 . 1 . 1 181 181 SER CB C 13 62.1760 0.0000 . 1 . . 24793 . . 180 SER CB . 53602 1 1062 . 1 . 1 181 181 SER N N 15 119.3970 0.0000 . 1 . . 20099 . . 180 SER N . 53602 1 1063 . 1 . 1 182 182 SER H H 1 7.2275 0.0000 . 1 . . 27243 . . 181 SER H . 53602 1 1064 . 1 . 1 182 182 SER C C 13 175.4990 0.0000 . 1 . . 20398 . . 181 SER C . 53602 1 1065 . 1 . 1 182 182 SER CA C 13 57.4087 0.0000 . 1 . . 25114 . . 181 SER CA . 53602 1 1066 . 1 . 1 182 182 SER CB C 13 64.1683 0.0000 . 1 . . 24739 . . 181 SER CB . 53602 1 1067 . 1 . 1 182 182 SER N N 15 113.3267 0.0000 . 1 . . 27245 . . 181 SER N . 53602 1 1068 . 1 . 1 183 183 GLY H H 1 8.0684 0.0000 . 1 . . 20451 . . 182 GLY H . 53602 1 1069 . 1 . 1 183 183 GLY C C 13 171.8593 0.0000 . 1 . . 20464 . . 182 GLY C . 53602 1 1070 . 1 . 1 183 183 GLY CA C 13 44.6378 0.0000 . 1 . . 25858 . . 182 GLY CA . 53602 1 1071 . 1 . 1 183 183 GLY N N 15 110.1636 0.0000 . 1 . . 20453 . . 182 GLY N . 53602 1 1072 . 1 . 1 184 184 LEU H H 1 6.7130 0.0000 . 1 . . 20256 . . 183 LEU H . 53602 1 1073 . 1 . 1 184 184 LEU HD11 H 1 0.5940 0.0000 . 2 . . . . . 183 LEU HD11 . 53602 1 1074 . 1 . 1 184 184 LEU HD12 H 1 0.5940 0.0000 . 2 . . . . . 183 LEU HD11 . 53602 1 1075 . 1 . 1 184 184 LEU HD13 H 1 0.5940 0.0000 . 2 . . . . . 183 LEU HD11 . 53602 1 1076 . 1 . 1 184 184 LEU HD21 H 1 0.6320 0.0000 . 2 . . . . . 183 LEU HD21 . 53602 1 1077 . 1 . 1 184 184 LEU HD22 H 1 0.6320 0.0000 . 2 . . . . . 183 LEU HD21 . 53602 1 1078 . 1 . 1 184 184 LEU HD23 H 1 0.6320 0.0000 . 2 . . . . . 183 LEU HD21 . 53602 1 1079 . 1 . 1 184 184 LEU C C 13 177.4692 0.0000 . 1 . . 20245 . . 183 LEU C . 53602 1 1080 . 1 . 1 184 184 LEU CA C 13 51.9607 0.0000 . 1 . . 25603 . . 183 LEU CA . 53602 1 1081 . 1 . 1 184 184 LEU CD1 C 13 23.5310 0.0000 . 2 . . 66073 . . 183 LEU CD1 . 53602 1 1082 . 1 . 1 184 184 LEU CD2 C 13 25.2410 0.0000 . 2 . . 65998 . . 183 LEU CD2 . 53602 1 1083 . 1 . 1 184 184 LEU N N 15 116.1055 0.0000 . 1 . . 20258 . . 183 LEU N . 53602 1 1084 . 1 . 1 185 185 TYR H H 1 9.0664 0.0000 . 1 . . 22821 . . 184 TYR H . 53602 1 1085 . 1 . 1 185 185 TYR C C 13 176.7272 0.0000 . 1 . . 19789 . . 184 TYR C . 53602 1 1086 . 1 . 1 185 185 TYR CA C 13 58.8204 0.0000 . 1 . . 20878 . . 184 TYR CA . 53602 1 1087 . 1 . 1 185 185 TYR CB C 13 39.4248 0.0000 . 1 . . 26098 . . 184 TYR CB . 53602 1 1088 . 1 . 1 185 185 TYR N N 15 123.6047 0.0000 . 1 . . 22823 . . 184 TYR N . 53602 1 1089 . 1 . 1 186 186 SER H H 1 8.3031 0.0000 . 1 . . 20436 . . 185 SER H . 53602 1 1090 . 1 . 1 186 186 SER C C 13 172.5432 0.0000 . 1 . . 20437 . . 185 SER C . 53602 1 1091 . 1 . 1 186 186 SER CA C 13 57.3638 0.0000 . 1 . . 21553 . . 185 SER CA . 53602 1 1092 . 1 . 1 186 186 SER CB C 13 66.0920 0.0000 . 1 . . 24679 . . 185 SER CB . 53602 1 1093 . 1 . 1 186 186 SER N N 15 111.8274 0.0000 . 1 . . 20438 . . 185 SER N . 53602 1 1094 . 1 . 1 187 187 LEU H H 1 9.4581 0.0000 . 1 . . 19596 . . 186 LEU H . 53602 1 1095 . 1 . 1 187 187 LEU HD11 H 1 0.8240 0.0000 . 2 . . . . . 186 LEU HD11 . 53602 1 1096 . 1 . 1 187 187 LEU HD12 H 1 0.8240 0.0000 . 2 . . . . . 186 LEU HD11 . 53602 1 1097 . 1 . 1 187 187 LEU HD13 H 1 0.8240 0.0000 . 2 . . . . . 186 LEU HD11 . 53602 1 1098 . 1 . 1 187 187 LEU HD21 H 1 0.8480 0.0000 . 2 . . . . . 186 LEU HD21 . 53602 1 1099 . 1 . 1 187 187 LEU HD22 H 1 0.8480 0.0000 . 2 . . . . . 186 LEU HD21 . 53602 1 1100 . 1 . 1 187 187 LEU HD23 H 1 0.8480 0.0000 . 2 . . . . . 186 LEU HD21 . 53602 1 1101 . 1 . 1 187 187 LEU C C 13 174.5214 0.0000 . 1 . . 19600 . . 186 LEU C . 53602 1 1102 . 1 . 1 187 187 LEU CA C 13 55.1222 0.0000 . 1 . . 25270 . . 186 LEU CA . 53602 1 1103 . 1 . 1 187 187 LEU CB C 13 44.4561 0.0000 . 1 . . 25816 . . 186 LEU CB . 53602 1 1104 . 1 . 1 187 187 LEU CD1 C 13 25.5460 0.0000 . 2 . . 65986 . . 186 LEU CD1 . 53602 1 1105 . 1 . 1 187 187 LEU CD2 C 13 27.3340 0.0000 . 2 . . 65941 . . 186 LEU CD2 . 53602 1 1106 . 1 . 1 187 187 LEU N N 15 126.1774 0.0000 . 1 . . 19598 . . 186 LEU N . 53602 1 1107 . 1 . 1 188 188 SER H H 1 7.3271 0.0000 . 1 . . 23466 . . 187 SER H . 53602 1 1108 . 1 . 1 188 188 SER C C 13 172.5697 0.0000 . 1 . . 20332 . . 187 SER C . 53602 1 1109 . 1 . 1 188 188 SER CA C 13 57.6220 0.0000 . 1 . . 40478 . . 187 SER CA . 53602 1 1110 . 1 . 1 188 188 SER CB C 13 66.1228 0.0000 . 1 . . 24670 . . 187 SER CB . 53602 1 1111 . 1 . 1 188 188 SER N N 15 114.8365 0.0000 . 1 . . 23468 . . 187 SER N . 53602 1 1112 . 1 . 1 189 189 SER H H 1 8.5861 0.0000 . 1 . . 20235 . . 188 SER H . 53602 1 1113 . 1 . 1 189 189 SER C C 13 174.1514 0.0000 . 1 . . 50718 . . 188 SER C . 53602 1 1114 . 1 . 1 189 189 SER CA C 13 56.5464 0.0000 . 1 . . 21295 . . 188 SER CA . 53602 1 1115 . 1 . 1 189 189 SER N N 15 116.3961 0.0000 . 1 . . 20237 . . 188 SER N . 53602 1 1116 . 1 . 1 190 190 VAL H H 1 9.1061 0.0000 . 1 . . 26934 . . 189 VAL H . 53602 1 1117 . 1 . 1 190 190 VAL HG11 H 1 1.0740 0.0000 . 2 . . . . . 189 VAL HG11 . 53602 1 1118 . 1 . 1 190 190 VAL HG12 H 1 1.0740 0.0000 . 2 . . . . . 189 VAL HG11 . 53602 1 1119 . 1 . 1 190 190 VAL HG13 H 1 1.0740 0.0000 . 2 . . . . . 189 VAL HG11 . 53602 1 1120 . 1 . 1 190 190 VAL HG21 H 1 0.8660 0.0000 . 2 . . . . . 189 VAL HG21 . 53602 1 1121 . 1 . 1 190 190 VAL HG22 H 1 0.8660 0.0000 . 2 . . . . . 189 VAL HG21 . 53602 1 1122 . 1 . 1 190 190 VAL HG23 H 1 0.8660 0.0000 . 2 . . . . . 189 VAL HG21 . 53602 1 1123 . 1 . 1 190 190 VAL C C 13 172.8757 0.0000 . 1 . . 19843 . . 189 VAL C . 53602 1 1124 . 1 . 1 190 190 VAL CA C 13 58.6817 0.0000 . 1 . . 20914 . . 189 VAL CA . 53602 1 1125 . 1 . 1 190 190 VAL CB C 13 35.4513 0.0000 . 1 . . 26203 . . 189 VAL CB . 53602 1 1126 . 1 . 1 190 190 VAL CG1 C 13 19.4760 0.0000 . 2 . . 66364 . . 189 VAL CG1 . 53602 1 1127 . 1 . 1 190 190 VAL CG2 C 13 20.8100 0.0000 . 2 . . 66271 . . 189 VAL CG2 . 53602 1 1128 . 1 . 1 190 190 VAL N N 15 123.2817 0.0000 . 1 . . 26936 . . 189 VAL N . 53602 1 1129 . 1 . 1 191 191 VAL H H 1 8.9002 0.0000 . 1 . . 24084 . . 190 VAL H . 53602 1 1130 . 1 . 1 191 191 VAL HG11 H 1 -0.3310 0.0000 . 2 . . . . . 190 VAL HG11 . 53602 1 1131 . 1 . 1 191 191 VAL HG12 H 1 -0.3310 0.0000 . 2 . . . . . 190 VAL HG11 . 53602 1 1132 . 1 . 1 191 191 VAL HG13 H 1 -0.3310 0.0000 . 2 . . . . . 190 VAL HG11 . 53602 1 1133 . 1 . 1 191 191 VAL HG21 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG21 . 53602 1 1134 . 1 . 1 191 191 VAL HG22 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG21 . 53602 1 1135 . 1 . 1 191 191 VAL HG23 H 1 -0.2170 0.0000 . 2 . . . . . 190 VAL HG21 . 53602 1 1136 . 1 . 1 191 191 VAL C C 13 174.0803 0.0000 . 1 . . 19954 . . 190 VAL C . 53602 1 1137 . 1 . 1 191 191 VAL CA C 13 58.7751 0.0000 . 1 . . 21013 . . 190 VAL CA . 53602 1 1138 . 1 . 1 191 191 VAL CG1 C 13 18.9500 0.0000 . 2 . . 66379 . . 190 VAL CG1 . 53602 1 1139 . 1 . 1 191 191 VAL CG2 C 13 20.1260 0.0000 . 2 . . 66322 . . 190 VAL CG2 . 53602 1 1140 . 1 . 1 191 191 VAL N N 15 121.5211 0.0000 . 1 . . 24086 . . 190 VAL N . 53602 1 1141 . 1 . 1 192 192 THR H H 1 7.2180 0.0000 . 1 . . 27177 . . 191 THR H . 53602 1 1142 . 1 . 1 192 192 THR HG21 H 1 1.0530 0.0000 . 1 . . . . . 191 THR HG21 . 53602 1 1143 . 1 . 1 192 192 THR HG22 H 1 1.0530 0.0000 . 1 . . . . . 191 THR HG21 . 53602 1 1144 . 1 . 1 192 192 THR HG23 H 1 1.0530 0.0000 . 1 . . . . . 191 THR HG21 . 53602 1 1145 . 1 . 1 192 192 THR C C 13 174.3118 0.0000 . 1 . . 20329 . . 191 THR C . 53602 1 1146 . 1 . 1 192 192 THR CA C 13 58.4556 0.0000 . 1 . . 40590 . . 191 THR CA . 53602 1 1147 . 1 . 1 192 192 THR CB C 13 69.3896 0.0000 . 1 . . 24580 . . 191 THR CB . 53602 1 1148 . 1 . 1 192 192 THR CG2 C 13 20.8500 0.0000 . 1 . . 66280 . . 191 THR CG2 . 53602 1 1149 . 1 . 1 192 192 THR N N 15 114.9452 0.0000 . 1 . . 27179 . . 191 THR N . 53602 1 1150 . 1 . 1 193 193 VAL H H 1 8.6246 0.0000 . 1 . . 23196 . . 192 VAL H . 53602 1 1151 . 1 . 1 193 193 VAL C C 13 172.5755 0.0000 . 1 . . 20176 . . 192 VAL C . 53602 1 1152 . 1 . 1 193 193 VAL CA C 13 57.0177 0.0000 . 1 . . 25078 . . 192 VAL CA . 53602 1 1153 . 1 . 1 193 193 VAL CB C 13 32.9063 0.0000 . 1 . . 26353 . . 192 VAL CB . 53602 1 1154 . 1 . 1 193 193 VAL N N 15 117.7059 0.0000 . 1 . . 23198 . . 192 VAL N . 53602 1 1155 . 1 . 1 195 195 SER C C 13 176.8543 0.0000 . 1 . . 27145 . . 194 SER C . 53602 1 1156 . 1 . 1 195 195 SER CA C 13 61.4832 0.0000 . 1 . . 24253 . . 194 SER CA . 53602 1 1157 . 1 . 1 195 195 SER CB C 13 63.0888 0.0000 . 1 . . 24799 . . 194 SER CB . 53602 1 1158 . 1 . 1 196 196 SER H H 1 8.4530 0.0000 . 1 . . 27144 . . 195 SER H . 53602 1 1159 . 1 . 1 196 196 SER C C 13 175.6304 0.0000 . 1 . . 20251 . . 195 SER C . 53602 1 1160 . 1 . 1 196 196 SER CA C 13 59.7439 0.0000 . 1 . . 25015 . . 195 SER CA . 53602 1 1161 . 1 . 1 196 196 SER CB C 13 62.4193 0.0000 . 1 . . 39298 . . 195 SER CB . 53602 1 1162 . 1 . 1 196 196 SER N N 15 116.2487 0.0000 . 1 . . 27146 . . 195 SER N . 53602 1 1163 . 1 . 1 197 197 SER H H 1 7.8201 0.0000 . 1 . . 20217 . . 196 SER H . 53602 1 1164 . 1 . 1 197 197 SER C C 13 175.3004 0.0000 . 1 . . 20218 . . 196 SER C . 53602 1 1165 . 1 . 1 197 197 SER CA C 13 59.1068 0.0000 . 1 . . 21283 . . 196 SER CA . 53602 1 1166 . 1 . 1 197 197 SER N N 15 116.8842 0.0000 . 1 . . 20219 . . 196 SER N . 53602 1 1167 . 1 . 1 198 198 LEU H H 1 7.3530 0.0000 . 1 . . 19887 . . 197 LEU H . 53602 1 1168 . 1 . 1 198 198 LEU HD11 H 1 0.7580 0.0000 . 2 . . . . . 197 LEU HD11 . 53602 1 1169 . 1 . 1 198 198 LEU HD12 H 1 0.7580 0.0000 . 2 . . . . . 197 LEU HD11 . 53602 1 1170 . 1 . 1 198 198 LEU HD13 H 1 0.7580 0.0000 . 2 . . . . . 197 LEU HD11 . 53602 1 1171 . 1 . 1 198 198 LEU HD21 H 1 0.8390 0.0000 . 2 . . . . . 197 LEU HD21 . 53602 1 1172 . 1 . 1 198 198 LEU HD22 H 1 0.8390 0.0000 . 2 . . . . . 197 LEU HD21 . 53602 1 1173 . 1 . 1 198 198 LEU HD23 H 1 0.8390 0.0000 . 2 . . . . . 197 LEU HD21 . 53602 1 1174 . 1 . 1 198 198 LEU C C 13 178.3264 0.0000 . 1 . . 19882 . . 197 LEU C . 53602 1 1175 . 1 . 1 198 198 LEU CA C 13 56.6513 0.0000 . 1 . . 25159 . . 197 LEU CA . 53602 1 1176 . 1 . 1 198 198 LEU CB C 13 40.5967 0.0000 . 1 . . 26056 . . 197 LEU CB . 53602 1 1177 . 1 . 1 198 198 LEU CD1 C 13 23.1290 0.0000 . 2 . . 66106 . . 197 LEU CD1 . 53602 1 1178 . 1 . 1 198 198 LEU CD2 C 13 25.3250 0.0000 . 2 . . 65989 . . 197 LEU CD2 . 53602 1 1179 . 1 . 1 198 198 LEU N N 15 122.5872 0.0000 . 1 . . 19889 . . 197 LEU N . 53602 1 1180 . 1 . 1 199 199 GLY H H 1 8.6413 0.0000 . 1 . . 27339 . . 198 GLY H . 53602 1 1181 . 1 . 1 199 199 GLY C C 13 174.8462 0.0000 . 1 . . 20506 . . 198 GLY C . 53602 1 1182 . 1 . 1 199 199 GLY CA C 13 45.0338 0.0000 . 1 . . 21640 . . 198 GLY CA . 53602 1 1183 . 1 . 1 199 199 GLY N N 15 107.4154 0.0000 . 1 . . 27341 . . 198 GLY N . 53602 1 1184 . 1 . 1 200 200 THR H H 1 7.4476 0.0000 . 1 . . 20454 . . 199 THR H . 53602 1 1185 . 1 . 1 200 200 THR HG21 H 1 1.1870 0.0000 . 1 . . . . . 199 THR HG21 . 53602 1 1186 . 1 . 1 200 200 THR HG22 H 1 1.1870 0.0000 . 1 . . . . . 199 THR HG21 . 53602 1 1187 . 1 . 1 200 200 THR HG23 H 1 1.1870 0.0000 . 1 . . . . . 199 THR HG21 . 53602 1 1188 . 1 . 1 200 200 THR C C 13 174.0878 0.0000 . 1 . . 20458 . . 199 THR C . 53602 1 1189 . 1 . 1 200 200 THR CA C 13 61.9192 0.0000 . 1 . . 21583 . . 199 THR CA . 53602 1 1190 . 1 . 1 200 200 THR CB C 13 69.8657 0.0000 . 1 . . 24592 . . 199 THR CB . 53602 1 1191 . 1 . 1 200 200 THR CG2 C 13 21.3170 0.0000 . 1 . . 66217 . . 199 THR CG2 . 53602 1 1192 . 1 . 1 200 200 THR N N 15 110.2389 0.0000 . 1 . . 20456 . . 199 THR N . 53602 1 1193 . 1 . 1 201 201 GLN H H 1 7.7986 0.0000 . 1 . . 22914 . . 200 GLN H . 53602 1 1194 . 1 . 1 201 201 GLN CA C 13 54.1520 0.0000 . 1 . . 25393 . . 200 GLN CA . 53602 1 1195 . 1 . 1 201 201 GLN CB C 13 30.1564 0.0000 . 1 . . 26470 . . 200 GLN CB . 53602 1 1196 . 1 . 1 201 201 GLN N N 15 122.1259 0.0000 . 1 . . 22916 . . 200 GLN N . 53602 1 1197 . 1 . 1 202 202 THR H H 1 7.9124 0.0000 . 1 . . 27093 . . 201 THR H . 53602 1 1198 . 1 . 1 202 202 THR HG21 H 1 1.1300 0.0000 . 1 . . . . . 201 THR HG21 . 53602 1 1199 . 1 . 1 202 202 THR HG22 H 1 1.1300 0.0000 . 1 . . . . . 201 THR HG21 . 53602 1 1200 . 1 . 1 202 202 THR HG23 H 1 1.1300 0.0000 . 1 . . . . . 201 THR HG21 . 53602 1 1201 . 1 . 1 202 202 THR C C 13 173.2757 0.0000 . 1 . . 20149 . . 201 THR C . 53602 1 1202 . 1 . 1 202 202 THR CA C 13 61.6020 0.0000 . 1 . . 24898 . . 201 THR CA . 53602 1 1203 . 1 . 1 202 202 THR CB C 13 69.8206 0.0000 . 1 . . 24562 . . 201 THR CB . 53602 1 1204 . 1 . 1 202 202 THR CG2 C 13 21.5750 0.0000 . 1 . . 66154 . . 201 THR CG2 . 53602 1 1205 . 1 . 1 202 202 THR N N 15 118.4895 0.0000 . 1 . . 27095 . . 201 THR N . 53602 1 1206 . 1 . 1 203 203 TYR H H 1 9.2116 0.0000 . 1 . . 19527 . . 202 TYR H . 53602 1 1207 . 1 . 1 203 203 TYR C C 13 173.7436 0.0000 . 1 . . 19561 . . 202 TYR C . 53602 1 1208 . 1 . 1 203 203 TYR CA C 13 58.0581 0.0000 . 1 . . 20686 . . 202 TYR CA . 53602 1 1209 . 1 . 1 203 203 TYR CB C 13 40.3615 0.0000 . 1 . . 26032 . . 202 TYR CB . 53602 1 1210 . 1 . 1 203 203 TYR N N 15 127.1108 0.0000 . 1 . . 19529 . . 202 TYR N . 53602 1 1211 . 1 . 1 204 204 ILE H H 1 8.8892 0.0000 . 1 . . 19752 . . 203 ILE H . 53602 1 1212 . 1 . 1 204 204 ILE C C 13 174.6186 0.0000 . 1 . . 19768 . . 203 ILE C . 53602 1 1213 . 1 . 1 204 204 ILE CA C 13 58.6266 0.0000 . 1 . . 25036 . . 203 ILE CA . 53602 1 1214 . 1 . 1 204 204 ILE CB C 13 41.9334 0.0000 . 1 . . 32412 . . 203 ILE CB . 53602 1 1215 . 1 . 1 204 204 ILE N N 15 124.0343 0.0000 . 1 . . 19754 . . 203 ILE N . 53602 1 1216 . 1 . 1 207 207 VAL C C 13 174.5359 0.0000 . 1 . . 26818 . . 206 VAL C . 53602 1 1217 . 1 . 1 207 207 VAL CA C 13 61.1768 0.0000 . 1 . . 20731 . . 206 VAL CA . 53602 1 1218 . 1 . 1 207 207 VAL CB C 13 32.7914 0.0000 . 1 . . 29861 . . 206 VAL CB . 53602 1 1219 . 1 . 1 208 208 ASN H H 1 8.5998 0.0000 . 1 . . 23922 . . 207 ASN H . 53602 1 1220 . 1 . 1 208 208 ASN C C 13 173.6821 0.0000 . 1 . . 19603 . . 207 ASN C . 53602 1 1221 . 1 . 1 208 208 ASN CA C 13 51.9030 0.0000 . 1 . . 25558 . . 207 ASN CA . 53602 1 1222 . 1 . 1 208 208 ASN CB C 13 41.0646 0.0000 . 1 . . 26038 . . 207 ASN CB . 53602 1 1223 . 1 . 1 208 208 ASN N N 15 126.0489 0.0000 . 1 . . 23924 . . 207 ASN N . 53602 1 1224 . 1 . 1 209 209 HIS H H 1 8.8398 0.0000 . 1 . . 25476 . . 208 HIS H . 53602 1 1225 . 1 . 1 209 209 HIS C C 13 173.3573 0.0000 . 1 . . 19582 . . 208 HIS C . 53602 1 1226 . 1 . 1 209 209 HIS CA C 13 54.2782 0.0000 . 1 . . 20710 . . 208 HIS CA . 53602 1 1227 . 1 . 1 209 209 HIS CB C 13 32.8595 0.0000 . 1 . . 26305 . . 208 HIS CB . 53602 1 1228 . 1 . 1 209 209 HIS N N 15 126.5128 0.0000 . 1 . . 25478 . . 208 HIS N . 53602 1 1229 . 1 . 1 210 210 LYS H H 1 9.0213 0.0000 . 1 . . 22434 . . 209 LYS H . 53602 1 1230 . 1 . 1 210 210 LYS C C 13 176.9007 0.0000 . 1 . . 19459 . . 209 LYS C . 53602 1 1231 . 1 . 1 210 210 LYS CA C 13 60.1100 0.0000 . 1 . . 24934 . . 209 LYS CA . 53602 1 1232 . 1 . 1 210 210 LYS CB C 13 28.9338 0.0000 . 1 . . 26512 . . 209 LYS CB . 53602 1 1233 . 1 . 1 210 210 LYS N N 15 128.0786 0.0000 . 1 . . 22436 . . 209 LYS N . 53602 1 1234 . 1 . 1 211 211 PRO C C 13 175.8815 0.0000 . 1 . . 27343 . . 210 PRO C . 53602 1 1235 . 1 . 1 211 211 PRO CA C 13 65.7352 0.0000 . 1 . . 21646 . . 210 PRO CA . 53602 1 1236 . 1 . 1 211 211 PRO CB C 13 31.2541 0.0000 . 1 . . 26437 . . 210 PRO CB . 53602 1 1237 . 1 . 1 212 212 SER H H 1 6.4256 0.0000 . 1 . . 20508 . . 211 SER H . 53602 1 1238 . 1 . 1 212 212 SER C C 13 174.1183 0.0000 . 1 . . 20512 . . 211 SER C . 53602 1 1239 . 1 . 1 212 212 SER CA C 13 57.0972 0.0000 . 1 . . 21643 . . 211 SER CA . 53602 1 1240 . 1 . 1 212 212 SER CB C 13 64.1623 0.0000 . 1 . . 24748 . . 211 SER CB . 53602 1 1241 . 1 . 1 212 212 SER N N 15 106.6792 0.0000 . 1 . . 20510 . . 211 SER N . 53602 1 1242 . 1 . 1 213 213 ASN H H 1 8.1891 0.0000 . 1 . . 27024 . . 212 ASN H . 53602 1 1243 . 1 . 1 213 213 ASN C C 13 174.4174 0.0000 . 1 . . 20014 . . 212 ASN C . 53602 1 1244 . 1 . 1 213 213 ASN CA C 13 54.2868 0.0000 . 1 . . 21088 . . 212 ASN CA . 53602 1 1245 . 1 . 1 213 213 ASN CB C 13 37.1993 0.0000 . 1 . . 26173 . . 212 ASN CB . 53602 1 1246 . 1 . 1 213 213 ASN N N 15 120.9314 0.0000 . 1 . . 27026 . . 212 ASN N . 53602 1 1247 . 1 . 1 214 214 THR H H 1 7.7173 0.0000 . 1 . . 20367 . . 213 THR H . 53602 1 1248 . 1 . 1 214 214 THR HG21 H 1 1.0490 0.0000 . 1 . . . . . 213 THR HG21 . 53602 1 1249 . 1 . 1 214 214 THR HG22 H 1 1.0490 0.0000 . 1 . . . . . 213 THR HG21 . 53602 1 1250 . 1 . 1 214 214 THR HG23 H 1 1.0490 0.0000 . 1 . . . . . 213 THR HG21 . 53602 1 1251 . 1 . 1 214 214 THR C C 13 173.4689 0.0000 . 1 . . 20383 . . 213 THR C . 53602 1 1252 . 1 . 1 214 214 THR CA C 13 62.8563 0.0000 . 1 . . 24805 . . 213 THR CA . 53602 1 1253 . 1 . 1 214 214 THR CB C 13 69.3185 0.0000 . 1 . . 24589 . . 213 THR CB . 53602 1 1254 . 1 . 1 214 214 THR CG2 C 13 20.8480 0.0000 . 1 . . 66238 . . 213 THR CG2 . 53602 1 1255 . 1 . 1 214 214 THR N N 15 114.0346 0.0000 . 1 . . 20369 . . 213 THR N . 53602 1 1256 . 1 . 1 215 215 LYS H H 1 8.5004 0.0000 . 1 . . 19401 . . 214 LYS H . 53602 1 1257 . 1 . 1 215 215 LYS C C 13 174.9655 0.0000 . 1 . . 19405 . . 214 LYS C . 53602 1 1258 . 1 . 1 215 215 LYS CA C 13 55.3166 0.0000 . 1 . . 25246 . . 214 LYS CA . 53602 1 1259 . 1 . 1 215 215 LYS CB C 13 33.6677 0.0000 . 1 . . 26284 . . 214 LYS CB . 53602 1 1260 . 1 . 1 215 215 LYS N N 15 130.2846 0.0000 . 1 . . 19403 . . 214 LYS N . 53602 1 1261 . 1 . 1 216 216 VAL H H 1 8.6128 0.0000 . 1 . . 25893 . . 215 VAL H . 53602 1 1262 . 1 . 1 216 216 VAL HG11 H 1 0.7850 0.0000 . 2 . . . . . 215 VAL HG11 . 53602 1 1263 . 1 . 1 216 216 VAL HG12 H 1 0.7850 0.0000 . 2 . . . . . 215 VAL HG11 . 53602 1 1264 . 1 . 1 216 216 VAL HG13 H 1 0.7850 0.0000 . 2 . . . . . 215 VAL HG11 . 53602 1 1265 . 1 . 1 216 216 VAL HG21 H 1 0.7700 0.0000 . 2 . . . . . 215 VAL HG21 . 53602 1 1266 . 1 . 1 216 216 VAL HG22 H 1 0.7700 0.0000 . 2 . . . . . 215 VAL HG21 . 53602 1 1267 . 1 . 1 216 216 VAL HG23 H 1 0.7700 0.0000 . 2 . . . . . 215 VAL HG21 . 53602 1 1268 . 1 . 1 216 216 VAL C C 13 172.8069 0.0000 . 1 . . 19738 . . 215 VAL C . 53602 1 1269 . 1 . 1 216 216 VAL CA C 13 60.4722 0.0000 . 1 . . 20821 . . 215 VAL CA . 53602 1 1270 . 1 . 1 216 216 VAL CB C 13 36.0183 0.0000 . 1 . . 26233 . . 215 VAL CB . 53602 1 1271 . 1 . 1 216 216 VAL CG1 C 13 21.3200 0.0000 . 2 . . 66265 . . 215 VAL CG1 . 53602 1 1272 . 1 . 1 216 216 VAL CG2 C 13 20.5930 0.0000 . 2 . . 67949 . . 215 VAL CG2 . 53602 1 1273 . 1 . 1 216 216 VAL N N 15 124.7641 0.0000 . 1 . . 25895 . . 215 VAL N . 53602 1 1274 . 1 . 1 217 217 ASP H H 1 8.2580 0.0000 . 1 . . 25548 . . 216 ASP H . 53602 1 1275 . 1 . 1 217 217 ASP C C 13 175.0947 0.0000 . 1 . . 57205 . . 216 ASP C . 53602 1 1276 . 1 . 1 217 217 ASP CA C 13 52.2469 0.0000 . 1 . . 25549 . . 216 ASP CA . 53602 1 1277 . 1 . 1 217 217 ASP CB C 13 42.4716 0.0000 . 1 . . 25942 . . 216 ASP CB . 53602 1 1278 . 1 . 1 217 217 ASP N N 15 127.1217 0.0000 . 1 . . 25550 . . 216 ASP N . 53602 1 1279 . 1 . 1 218 218 LYS C C 13 173.3192 0.0000 . 1 . . 26749 . . 217 LYS C . 53602 1 1280 . 1 . 1 218 218 LYS CA C 13 52.9913 0.0000 . 1 . . 20617 . . 217 LYS CA . 53602 1 1281 . 1 . 1 218 218 LYS CB C 13 33.5602 0.0000 . 1 . . 28825 . . 217 LYS CB . 53602 1 1282 . 1 . 1 219 219 LYS H H 1 8.4864 0.0000 . 1 . . 19452 . . 218 LYS H . 53602 1 1283 . 1 . 1 219 219 LYS C C 13 176.1152 0.0000 . 1 . . 57179 . . 218 LYS C . 53602 1 1284 . 1 . 1 219 219 LYS CA C 13 56.2958 0.0000 . 1 . . 28822 . . 218 LYS CA . 53602 1 1285 . 1 . 1 219 219 LYS CB C 13 32.4867 0.0000 . 1 . . 57189 . . 218 LYS CB . 53602 1 1286 . 1 . 1 219 219 LYS N N 15 128.3136 0.0000 . 1 . . 19454 . . 218 LYS N . 53602 1 1287 . 1 . 1 220 220 VAL H H 1 8.9591 0.0000 . 1 . . 26550 . . 219 VAL H . 53602 1 1288 . 1 . 1 220 220 VAL HG11 H 1 1.1640 0.0000 . 2 . . . . . 219 VAL HG11 . 53602 1 1289 . 1 . 1 220 220 VAL HG12 H 1 1.1640 0.0000 . 2 . . . . . 219 VAL HG11 . 53602 1 1290 . 1 . 1 220 220 VAL HG13 H 1 1.1640 0.0000 . 2 . . . . . 219 VAL HG11 . 53602 1 1291 . 1 . 1 220 220 VAL HG21 H 1 1.1500 0.0000 . 2 . . . . . 219 VAL HG21 . 53602 1 1292 . 1 . 1 220 220 VAL HG22 H 1 1.1500 0.0000 . 2 . . . . . 219 VAL HG21 . 53602 1 1293 . 1 . 1 220 220 VAL HG23 H 1 1.1500 0.0000 . 2 . . . . . 219 VAL HG21 . 53602 1 1294 . 1 . 1 220 220 VAL C C 13 174.8731 0.0000 . 1 . . 19420 . . 219 VAL C . 53602 1 1295 . 1 . 1 220 220 VAL CA C 13 62.5187 0.0000 . 1 . . 20575 . . 219 VAL CA . 53602 1 1296 . 1 . 1 220 220 VAL CB C 13 31.4927 0.0000 . 1 . . 28638 . . 219 VAL CB . 53602 1 1297 . 1 . 1 220 220 VAL CG1 C 13 21.5560 0.0000 . 2 . . 66157 . . 219 VAL CG1 . 53602 1 1298 . 1 . 1 220 220 VAL CG2 C 13 23.2490 0.0000 . 2 . . 67930 . . 219 VAL CG2 . 53602 1 1299 . 1 . 1 220 220 VAL N N 15 129.6491 0.0000 . 1 . . 26552 . . 219 VAL N . 53602 1 1300 . 1 . 1 221 221 GLU H H 1 8.4735 0.0000 . 1 . . 22464 . . 220 GLU H . 53602 1 1301 . 1 . 1 221 221 GLU C C 13 173.8329 0.0000 . 1 . . 19552 . . 220 GLU C . 53602 1 1302 . 1 . 1 221 221 GLU CA C 13 53.0402 0.0000 . 1 . . 25471 . . 220 GLU CA . 53602 1 1303 . 1 . 1 221 221 GLU CB C 13 30.7582 0.0000 . 1 . . 29464 . . 220 GLU CB . 53602 1 1304 . 1 . 1 221 221 GLU N N 15 127.1581 0.0000 . 1 . . 22466 . . 220 GLU N . 53602 1 1305 . 1 . 1 222 222 PRO C C 13 176.2030 0.0000 . 1 . . 26929 . . 221 PRO C . 53602 1 1306 . 1 . 1 222 222 PRO CA C 13 62.3237 0.0000 . 1 . . 24022 . . 221 PRO CA . 53602 1 1307 . 1 . 1 222 222 PRO CB C 13 31.3769 0.0000 . 1 . . 22882 . . 221 PRO CB . 53602 1 1308 . 1 . 1 223 223 LYS H H 1 8.4576 0.0000 . 1 . . 24036 . . 222 LYS H . 53602 1 1309 . 1 . 1 223 223 LYS C C 13 176.4440 0.0000 . 1 . . 19822 . . 222 LYS C . 53602 1 1310 . 1 . 1 223 223 LYS CA C 13 55.4911 0.0000 . 1 . . 20926 . . 222 LYS CA . 53602 1 1311 . 1 . 1 223 223 LYS CB C 13 33.0358 0.0000 . 1 . . 26326 . . 222 LYS CB . 53602 1 1312 . 1 . 1 223 223 LYS N N 15 123.3893 0.0000 . 1 . . 24038 . . 222 LYS N . 53602 1 1313 . 1 . 1 224 224 SER H H 1 8.5567 0.0000 . 1 . . 23073 . . 223 SER H . 53602 1 1314 . 1 . 1 224 224 SER C C 13 174.6391 0.0000 . 1 . . 20056 . . 223 SER C . 53602 1 1315 . 1 . 1 224 224 SER CA C 13 57.6254 0.0000 . 1 . . 37040 . . 223 SER CA . 53602 1 1316 . 1 . 1 224 224 SER CB C 13 63.7288 0.0000 . 1 . . 24706 . . 223 SER CB . 53602 1 1317 . 1 . 1 224 224 SER N N 15 120.2742 0.0000 . 1 . . 23075 . . 223 SER N . 53602 1 1318 . 1 . 1 225 225 CYS H H 1 8.6039 0.0000 . 1 . . 19875 . . 224 CYS H . 53602 1 1319 . 1 . 1 225 225 CYS C C 13 174.3100 0.0000 . 1 . . 19879 . . 224 CYS C . 53602 1 1320 . 1 . 1 225 225 CYS CA C 13 55.2827 0.0000 . 1 . . 20968 . . 224 CYS CA . 53602 1 1321 . 1 . 1 225 225 CYS CB C 13 41.5787 0.0000 . 1 . . 25963 . . 224 CYS CB . 53602 1 1322 . 1 . 1 225 225 CYS N N 15 122.7222 0.0000 . 1 . . 19877 . . 224 CYS N . 53602 1 1323 . 1 . 1 226 226 ASP H H 1 8.3714 0.0000 . 1 . . 25047 . . 225 ASP H . 53602 1 1324 . 1 . 1 226 226 ASP C C 13 175.9634 0.0000 . 1 . . 19891 . . 225 ASP C . 53602 1 1325 . 1 . 1 226 226 ASP CA C 13 54.1483 0.0000 . 1 . . 20983 . . 225 ASP CA . 53602 1 1326 . 1 . 1 226 226 ASP CB C 13 40.8554 0.0000 . 1 . . 26053 . . 225 ASP CB . 53602 1 1327 . 1 . 1 226 226 ASP N N 15 122.5616 0.0000 . 1 . . 25049 . . 225 ASP N . 53602 1 1328 . 1 . 1 227 227 LYS H H 1 8.2047 0.0000 . 1 . . 22992 . . 226 LYS H . 53602 1 1329 . 1 . 1 227 227 LYS C C 13 176.8157 0.0000 . 1 . . 35231 . . 226 LYS C . 53602 1 1330 . 1 . 1 227 227 LYS CA C 13 55.8854 0.0000 . 1 . . 25303 . . 226 LYS CA . 53602 1 1331 . 1 . 1 227 227 LYS CB C 13 32.3206 0.0000 . 1 . . 26407 . . 226 LYS CB . 53602 1 1332 . 1 . 1 227 227 LYS N N 15 121.8383 0.0000 . 1 . . 22994 . . 226 LYS N . 53602 1 1333 . 1 . 1 228 228 THR H H 1 8.1053 0.0000 . 1 . . 24294 . . 227 THR H . 53602 1 1334 . 1 . 1 228 228 THR HG21 H 1 1.2050 0.0000 . 1 . . . . . 227 THR HG21 . 53602 1 1335 . 1 . 1 228 228 THR HG22 H 1 1.2050 0.0000 . 1 . . . . . 227 THR HG21 . 53602 1 1336 . 1 . 1 228 228 THR HG23 H 1 1.2050 0.0000 . 1 . . . . . 227 THR HG21 . 53602 1 1337 . 1 . 1 228 228 THR C C 13 173.8427 0.0000 . 1 . . 39810 . . 227 THR C . 53602 1 1338 . 1 . 1 228 228 THR CA C 13 61.8690 0.0000 . 1 . . 21343 . . 227 THR CA . 53602 1 1339 . 1 . 1 228 228 THR CB C 13 69.5891 0.0000 . 1 . . 24571 . . 227 THR CB . 53602 1 1340 . 1 . 1 228 228 THR CG2 C 13 21.3590 0.0000 . 1 . . 66199 . . 227 THR CG2 . 53602 1 1341 . 1 . 1 228 228 THR N N 15 115.2004 0.0000 . 1 . . 24296 . . 227 THR N . 53602 1 1342 . 1 . 1 229 229 HIS H H 1 7.9060 0.0000 . 1 . . 19662 . . 228 HIS H . 53602 1 1343 . 1 . 1 229 229 HIS C C 13 174.9484 0.0000 . 1 . . 19675 . . 228 HIS C . 53602 1 1344 . 1 . 1 229 229 HIS CA C 13 56.7473 0.0000 . 1 . . 31071 . . 228 HIS CA . 53602 1 1345 . 1 . 1 229 229 HIS CB C 13 29.4437 0.0000 . 1 . . 26527 . . 228 HIS CB . 53602 1 1346 . 1 . 1 229 229 HIS N N 15 125.2877 0.0000 . 1 . . 19664 . . 228 HIS N . 53602 1 stop_ save_