data_19976 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19976 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments for beta-lactamase BlaP with proline-glycine inserted at position 197 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-16 _Entry.Accession_date 2014-05-16 _Entry.Last_release_date 2014-07-23 _Entry.Original_release_date 2014-07-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Thorn . . . . 19976 2 Mireille Dumoulin . . . . 19976 3 Christian Damblon . . . . 19976 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19976 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Enzymologie et repliement des prot ines' . 19976 2 . 'Departement des sciences de la vie' . 19976 3 . 'Chimie biologique structurale' . 19976 4 . 'Departement de chimie (sciences)' . 19976 5 . 'University of Liege' . 19976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 746 19976 '15N chemical shifts' 244 19976 '1H chemical shifts' 244 19976 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 . . 2019-07-11 . original BMRB . 19976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID EMBL BLAC_BACLI . 19976 PDB 1L2S . 19976 PDB 2BLM . 19976 PDB 3LY3 . 19976 PDB 3LY4 . 19976 PDB 3M2J . 19976 PDB 3M2K . 19976 PDB 4BLM . 19976 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19976 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29030803 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignments of the beta-lactamase BlaP from Bacillus licheniformis 749/C and two mutational variants ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 69 _Citation.Page_last 77 _Citation.Year 2018 _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 David Thorn D. . . . 19976 1 2 Jennifer Kay J. . . . 19976 1 3 Noureddine Rhazi N. . . . 19976 1 4 Mireille Dumoulin M. . . . 19976 1 5 Alessandra Corazza A. . . . 19976 1 6 Christian Damblon C. . . . 19976 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BlaP hybrid proteins' 19976 1 'Polyglutamine diseases' 19976 1 'Polyglutamine model proteins' 19976 1 'Protein aggregation' 19976 1 'Resonance assignment' 19976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19976 _Assembly.ID 1 _Assembly.Name BlaP197 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BlaP197 1 $BlaP197 A . yes na no no . . . 19976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlaP197 _Entity.Sf_category entity _Entity.Sf_framecode BlaP197 _Entity.Entry_ID 19976 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BlaP197 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TEMKDDFAKLEEQFDAKLGI FALDTGTNRTVAYRPDERFA FASTIKALTVGVLLQQKSIE DLNQRITYTRDDLVNYNPIT EKHVDTGMTLKELADASLRY SDNAAQNLILKQIGGPESLK KELRKIGDEVTNPERFEPEL NEVNPGETQDTSTARALVTS LRAFALEDPGKLPSEKRELL IDWMKRNTTGDALIRAGVPD GWEVADKTGAASYGTRNDIA IIWPPKGDPVVLAVLSSRDK KDAKYDDKLIAEATKVVMKA LNMNGKGPHHHHH ; _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 273 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30368.2276 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 THR . 19976 1 2 2 GLU . 19976 1 3 3 MET . 19976 1 4 4 LYS . 19976 1 5 5 ASP . 19976 1 6 6 ASP . 19976 1 7 7 PHE . 19976 1 8 8 ALA . 19976 1 9 9 LYS . 19976 1 10 10 LEU . 19976 1 11 11 GLU . 19976 1 12 12 GLU . 19976 1 13 13 GLN . 19976 1 14 14 PHE . 19976 1 15 15 ASP . 19976 1 16 16 ALA . 19976 1 17 17 LYS . 19976 1 18 18 LEU . 19976 1 19 19 GLY . 19976 1 20 20 ILE . 19976 1 21 21 PHE . 19976 1 22 22 ALA . 19976 1 23 23 LEU . 19976 1 24 24 ASP . 19976 1 25 25 THR . 19976 1 26 26 GLY . 19976 1 27 27 THR . 19976 1 28 28 ASN . 19976 1 29 29 ARG . 19976 1 30 30 THR . 19976 1 31 31 VAL . 19976 1 32 32 ALA . 19976 1 33 33 TYR . 19976 1 34 34 ARG . 19976 1 35 35 PRO . 19976 1 36 36 ASP . 19976 1 37 37 GLU . 19976 1 38 38 ARG . 19976 1 39 39 PHE . 19976 1 40 40 ALA . 19976 1 41 41 PHE . 19976 1 42 42 ALA . 19976 1 43 43 SER . 19976 1 44 44 THR . 19976 1 45 45 ILE . 19976 1 46 46 LYS . 19976 1 47 47 ALA . 19976 1 48 48 LEU . 19976 1 49 49 THR . 19976 1 50 50 VAL . 19976 1 51 51 GLY . 19976 1 52 52 VAL . 19976 1 53 53 LEU . 19976 1 54 54 LEU . 19976 1 55 55 GLN . 19976 1 56 56 GLN . 19976 1 57 57 LYS . 19976 1 58 58 SER . 19976 1 59 59 ILE . 19976 1 60 60 GLU . 19976 1 61 61 ASP . 19976 1 62 62 LEU . 19976 1 63 63 ASN . 19976 1 64 64 GLN . 19976 1 65 65 ARG . 19976 1 66 66 ILE . 19976 1 67 67 THR . 19976 1 68 68 TYR . 19976 1 69 69 THR . 19976 1 70 70 ARG . 19976 1 71 71 ASP . 19976 1 72 72 ASP . 19976 1 73 73 LEU . 19976 1 74 74 VAL . 19976 1 75 75 ASN . 19976 1 76 76 TYR . 19976 1 77 77 ASN . 19976 1 78 78 PRO . 19976 1 79 79 ILE . 19976 1 80 80 THR . 19976 1 81 81 GLU . 19976 1 82 82 LYS . 19976 1 83 83 HIS . 19976 1 84 84 VAL . 19976 1 85 85 ASP . 19976 1 86 86 THR . 19976 1 87 87 GLY . 19976 1 88 88 MET . 19976 1 89 89 THR . 19976 1 90 90 LEU . 19976 1 91 91 LYS . 19976 1 92 92 GLU . 19976 1 93 93 LEU . 19976 1 94 94 ALA . 19976 1 95 95 ASP . 19976 1 96 96 ALA . 19976 1 97 97 SER . 19976 1 98 98 LEU . 19976 1 99 99 ARG . 19976 1 100 100 TYR . 19976 1 101 101 SER . 19976 1 102 102 ASP . 19976 1 103 103 ASN . 19976 1 104 104 ALA . 19976 1 105 105 ALA . 19976 1 106 106 GLN . 19976 1 107 107 ASN . 19976 1 108 108 LEU . 19976 1 109 109 ILE . 19976 1 110 110 LEU . 19976 1 111 111 LYS . 19976 1 112 112 GLN . 19976 1 113 113 ILE . 19976 1 114 114 GLY . 19976 1 115 115 GLY . 19976 1 116 116 PRO . 19976 1 117 117 GLU . 19976 1 118 118 SER . 19976 1 119 119 LEU . 19976 1 120 120 LYS . 19976 1 121 121 LYS . 19976 1 122 122 GLU . 19976 1 123 123 LEU . 19976 1 124 124 ARG . 19976 1 125 125 LYS . 19976 1 126 126 ILE . 19976 1 127 127 GLY . 19976 1 128 128 ASP . 19976 1 129 129 GLU . 19976 1 130 130 VAL . 19976 1 131 131 THR . 19976 1 132 132 ASN . 19976 1 133 133 PRO . 19976 1 134 134 GLU . 19976 1 135 135 ARG . 19976 1 136 136 PHE . 19976 1 137 137 GLU . 19976 1 138 138 PRO . 19976 1 139 139 GLU . 19976 1 140 140 LEU . 19976 1 141 141 ASN . 19976 1 142 142 GLU . 19976 1 143 143 VAL . 19976 1 144 144 ASN . 19976 1 145 145 PRO . 19976 1 146 146 GLY . 19976 1 147 147 GLU . 19976 1 148 148 THR . 19976 1 149 149 GLN . 19976 1 150 150 ASP . 19976 1 151 151 THR . 19976 1 152 152 SER . 19976 1 153 153 THR . 19976 1 154 154 ALA . 19976 1 155 155 ARG . 19976 1 156 156 ALA . 19976 1 157 157 LEU . 19976 1 158 158 VAL . 19976 1 159 159 THR . 19976 1 160 160 SER . 19976 1 161 161 LEU . 19976 1 162 162 ARG . 19976 1 163 163 ALA . 19976 1 164 164 PHE . 19976 1 165 165 ALA . 19976 1 166 166 LEU . 19976 1 167 167 GLU . 19976 1 168 168 ASP . 19976 1 169 169 PRO . 19976 1 170 170 GLY . 19976 1 171 171 LYS . 19976 1 172 172 LEU . 19976 1 173 173 PRO . 19976 1 174 174 SER . 19976 1 175 175 GLU . 19976 1 176 176 LYS . 19976 1 177 177 ARG . 19976 1 178 178 GLU . 19976 1 179 179 LEU . 19976 1 180 180 LEU . 19976 1 181 181 ILE . 19976 1 182 182 ASP . 19976 1 183 183 TRP . 19976 1 184 184 MET . 19976 1 185 185 LYS . 19976 1 186 186 ARG . 19976 1 187 187 ASN . 19976 1 188 188 THR . 19976 1 189 189 THR . 19976 1 190 190 GLY . 19976 1 191 191 ASP . 19976 1 192 192 ALA . 19976 1 193 193 LEU . 19976 1 194 194 ILE . 19976 1 195 195 ARG . 19976 1 196 196 ALA . 19976 1 197 197 GLY . 19976 1 198 198 VAL . 19976 1 199 199 PRO . 19976 1 200 200 ASP . 19976 1 201 201 GLY . 19976 1 202 202 TRP . 19976 1 203 203 GLU . 19976 1 204 204 VAL . 19976 1 205 205 ALA . 19976 1 206 206 ASP . 19976 1 207 207 LYS . 19976 1 208 208 THR . 19976 1 209 209 GLY . 19976 1 210 210 ALA . 19976 1 211 211 ALA . 19976 1 212 212 SER . 19976 1 213 213 TYR . 19976 1 214 214 GLY . 19976 1 215 215 THR . 19976 1 216 216 ARG . 19976 1 217 217 ASN . 19976 1 218 218 ASP . 19976 1 219 219 ILE . 19976 1 220 220 ALA . 19976 1 221 221 ILE . 19976 1 222 222 ILE . 19976 1 223 223 TRP . 19976 1 224 224 PRO . 19976 1 225 225 PRO . 19976 1 226 226 LYS . 19976 1 227 227 GLY . 19976 1 228 228 ASP . 19976 1 229 229 PRO . 19976 1 230 230 VAL . 19976 1 231 231 VAL . 19976 1 232 232 LEU . 19976 1 233 233 ALA . 19976 1 234 234 VAL . 19976 1 235 235 LEU . 19976 1 236 236 SER . 19976 1 237 237 SER . 19976 1 238 238 ARG . 19976 1 239 239 ASP . 19976 1 240 240 LYS . 19976 1 241 241 LYS . 19976 1 242 242 ASP . 19976 1 243 243 ALA . 19976 1 244 244 LYS . 19976 1 245 245 TYR . 19976 1 246 246 ASP . 19976 1 247 247 ASP . 19976 1 248 248 LYS . 19976 1 249 249 LEU . 19976 1 250 250 ILE . 19976 1 251 251 ALA . 19976 1 252 252 GLU . 19976 1 253 253 ALA . 19976 1 254 254 THR . 19976 1 255 255 LYS . 19976 1 256 256 VAL . 19976 1 257 257 VAL . 19976 1 258 258 MET . 19976 1 259 259 LYS . 19976 1 260 260 ALA . 19976 1 261 261 LEU . 19976 1 262 262 ASN . 19976 1 263 263 MET . 19976 1 264 264 ASN . 19976 1 265 265 GLY . 19976 1 266 266 LYS . 19976 1 267 267 GLY . 19976 1 268 268 PRO . 19976 1 269 269 HIS . 19976 1 270 270 HIS . 19976 1 271 271 HIS . 19976 1 272 272 HIS . 19976 1 273 273 HIS . 19976 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 . THR 1 1 19976 1 . GLU 2 2 19976 1 . MET 3 3 19976 1 . LYS 4 4 19976 1 . ASP 5 5 19976 1 . ASP 6 6 19976 1 . PHE 7 7 19976 1 . ALA 8 8 19976 1 . LYS 9 9 19976 1 . LEU 10 10 19976 1 . GLU 11 11 19976 1 . GLU 12 12 19976 1 . GLN 13 13 19976 1 . PHE 14 14 19976 1 . ASP 15 15 19976 1 . ALA 16 16 19976 1 . LYS 17 17 19976 1 . LEU 18 18 19976 1 . GLY 19 19 19976 1 . ILE 20 20 19976 1 . PHE 21 21 19976 1 . ALA 22 22 19976 1 . LEU 23 23 19976 1 . ASP 24 24 19976 1 . THR 25 25 19976 1 . GLY 26 26 19976 1 . THR 27 27 19976 1 . ASN 28 28 19976 1 . ARG 29 29 19976 1 . THR 30 30 19976 1 . VAL 31 31 19976 1 . ALA 32 32 19976 1 . TYR 33 33 19976 1 . ARG 34 34 19976 1 . PRO 35 35 19976 1 . ASP 36 36 19976 1 . GLU 37 37 19976 1 . ARG 38 38 19976 1 . PHE 39 39 19976 1 . ALA 40 40 19976 1 . PHE 41 41 19976 1 . ALA 42 42 19976 1 . SER 43 43 19976 1 . THR 44 44 19976 1 . ILE 45 45 19976 1 . LYS 46 46 19976 1 . ALA 47 47 19976 1 . LEU 48 48 19976 1 . THR 49 49 19976 1 . VAL 50 50 19976 1 . GLY 51 51 19976 1 . VAL 52 52 19976 1 . LEU 53 53 19976 1 . LEU 54 54 19976 1 . GLN 55 55 19976 1 . GLN 56 56 19976 1 . LYS 57 57 19976 1 . SER 58 58 19976 1 . ILE 59 59 19976 1 . GLU 60 60 19976 1 . ASP 61 61 19976 1 . LEU 62 62 19976 1 . ASN 63 63 19976 1 . GLN 64 64 19976 1 . ARG 65 65 19976 1 . ILE 66 66 19976 1 . THR 67 67 19976 1 . TYR 68 68 19976 1 . THR 69 69 19976 1 . ARG 70 70 19976 1 . ASP 71 71 19976 1 . ASP 72 72 19976 1 . LEU 73 73 19976 1 . VAL 74 74 19976 1 . ASN 75 75 19976 1 . TYR 76 76 19976 1 . ASN 77 77 19976 1 . PRO 78 78 19976 1 . ILE 79 79 19976 1 . THR 80 80 19976 1 . GLU 81 81 19976 1 . LYS 82 82 19976 1 . HIS 83 83 19976 1 . VAL 84 84 19976 1 . ASP 85 85 19976 1 . THR 86 86 19976 1 . GLY 87 87 19976 1 . MET 88 88 19976 1 . THR 89 89 19976 1 . LEU 90 90 19976 1 . LYS 91 91 19976 1 . GLU 92 92 19976 1 . LEU 93 93 19976 1 . ALA 94 94 19976 1 . ASP 95 95 19976 1 . ALA 96 96 19976 1 . SER 97 97 19976 1 . LEU 98 98 19976 1 . ARG 99 99 19976 1 . TYR 100 100 19976 1 . SER 101 101 19976 1 . ASP 102 102 19976 1 . ASN 103 103 19976 1 . ALA 104 104 19976 1 . ALA 105 105 19976 1 . GLN 106 106 19976 1 . ASN 107 107 19976 1 . LEU 108 108 19976 1 . ILE 109 109 19976 1 . LEU 110 110 19976 1 . LYS 111 111 19976 1 . GLN 112 112 19976 1 . ILE 113 113 19976 1 . GLY 114 114 19976 1 . GLY 115 115 19976 1 . PRO 116 116 19976 1 . GLU 117 117 19976 1 . SER 118 118 19976 1 . LEU 119 119 19976 1 . LYS 120 120 19976 1 . LYS 121 121 19976 1 . GLU 122 122 19976 1 . LEU 123 123 19976 1 . ARG 124 124 19976 1 . LYS 125 125 19976 1 . ILE 126 126 19976 1 . GLY 127 127 19976 1 . ASP 128 128 19976 1 . GLU 129 129 19976 1 . VAL 130 130 19976 1 . THR 131 131 19976 1 . ASN 132 132 19976 1 . PRO 133 133 19976 1 . GLU 134 134 19976 1 . ARG 135 135 19976 1 . PHE 136 136 19976 1 . GLU 137 137 19976 1 . PRO 138 138 19976 1 . GLU 139 139 19976 1 . LEU 140 140 19976 1 . ASN 141 141 19976 1 . GLU 142 142 19976 1 . VAL 143 143 19976 1 . ASN 144 144 19976 1 . PRO 145 145 19976 1 . GLY 146 146 19976 1 . GLU 147 147 19976 1 . THR 148 148 19976 1 . GLN 149 149 19976 1 . ASP 150 150 19976 1 . THR 151 151 19976 1 . SER 152 152 19976 1 . THR 153 153 19976 1 . ALA 154 154 19976 1 . ARG 155 155 19976 1 . ALA 156 156 19976 1 . LEU 157 157 19976 1 . VAL 158 158 19976 1 . THR 159 159 19976 1 . SER 160 160 19976 1 . LEU 161 161 19976 1 . ARG 162 162 19976 1 . ALA 163 163 19976 1 . PHE 164 164 19976 1 . ALA 165 165 19976 1 . LEU 166 166 19976 1 . GLU 167 167 19976 1 . ASP 168 168 19976 1 . PRO 169 169 19976 1 . GLY 170 170 19976 1 . LYS 171 171 19976 1 . LEU 172 172 19976 1 . PRO 173 173 19976 1 . SER 174 174 19976 1 . GLU 175 175 19976 1 . LYS 176 176 19976 1 . ARG 177 177 19976 1 . GLU 178 178 19976 1 . LEU 179 179 19976 1 . LEU 180 180 19976 1 . ILE 181 181 19976 1 . ASP 182 182 19976 1 . TRP 183 183 19976 1 . MET 184 184 19976 1 . LYS 185 185 19976 1 . ARG 186 186 19976 1 . ASN 187 187 19976 1 . THR 188 188 19976 1 . THR 189 189 19976 1 . GLY 190 190 19976 1 . ASP 191 191 19976 1 . ALA 192 192 19976 1 . LEU 193 193 19976 1 . ILE 194 194 19976 1 . ARG 195 195 19976 1 . ALA 196 196 19976 1 . GLY 197 197 19976 1 . VAL 198 198 19976 1 . PRO 199 199 19976 1 . ASP 200 200 19976 1 . GLY 201 201 19976 1 . TRP 202 202 19976 1 . GLU 203 203 19976 1 . VAL 204 204 19976 1 . ALA 205 205 19976 1 . ASP 206 206 19976 1 . LYS 207 207 19976 1 . THR 208 208 19976 1 . GLY 209 209 19976 1 . ALA 210 210 19976 1 . ALA 211 211 19976 1 . SER 212 212 19976 1 . TYR 213 213 19976 1 . GLY 214 214 19976 1 . THR 215 215 19976 1 . ARG 216 216 19976 1 . ASN 217 217 19976 1 . ASP 218 218 19976 1 . ILE 219 219 19976 1 . ALA 220 220 19976 1 . ILE 221 221 19976 1 . ILE 222 222 19976 1 . TRP 223 223 19976 1 . PRO 224 224 19976 1 . PRO 225 225 19976 1 . LYS 226 226 19976 1 . GLY 227 227 19976 1 . ASP 228 228 19976 1 . PRO 229 229 19976 1 . VAL 230 230 19976 1 . VAL 231 231 19976 1 . LEU 232 232 19976 1 . ALA 233 233 19976 1 . VAL 234 234 19976 1 . LEU 235 235 19976 1 . SER 236 236 19976 1 . SER 237 237 19976 1 . ARG 238 238 19976 1 . ASP 239 239 19976 1 . LYS 240 240 19976 1 . LYS 241 241 19976 1 . ASP 242 242 19976 1 . ALA 243 243 19976 1 . LYS 244 244 19976 1 . TYR 245 245 19976 1 . ASP 246 246 19976 1 . ASP 247 247 19976 1 . LYS 248 248 19976 1 . LEU 249 249 19976 1 . ILE 250 250 19976 1 . ALA 251 251 19976 1 . GLU 252 252 19976 1 . ALA 253 253 19976 1 . THR 254 254 19976 1 . LYS 255 255 19976 1 . VAL 256 256 19976 1 . VAL 257 257 19976 1 . MET 258 258 19976 1 . LYS 259 259 19976 1 . ALA 260 260 19976 1 . LEU 261 261 19976 1 . ASN 262 262 19976 1 . MET 263 263 19976 1 . ASN 264 264 19976 1 . GLY 265 265 19976 1 . LYS 266 266 19976 1 . GLY 267 267 19976 1 . PRO 268 268 19976 1 . HIS 269 269 19976 1 . HIS 270 270 19976 1 . HIS 271 271 19976 1 . HIS 272 272 19976 1 . HIS 273 273 19976 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19976 _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 $BlaP197 . 1402 organism . 'Bacillus licheniformis' firmicutes . . Bacteria . Bacillus licheniformis . . . . . . . . . . . . . 19976 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19976 _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 $BlaP197 . 'recombinant technology' 'Escherichia coli' undefined . . Escherichia coli BL21(DE3) . . . . . pET28b . . . 19976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19976 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 BlaP197 '[U-100% 13C; U-100% 15N]' . . 1 $BlaP197 . . 0.8 . . mM . . . . 19976 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19976 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19976 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19976 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19976 1 stop_ save_ ####################### # Sample conditions # ####################### save_Standard _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard _Sample_condition_list.Entry_ID 19976 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM sodium phosphate, 50mM NaCl, pH 6.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.070 . M 19976 1 pH 6.5 . pH 19976 1 pressure 1 . atm 19976 1 temperature 308 . K 19976 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19976 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.3.1 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19976 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 19976 1 'data analysis' 19976 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19976 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19976 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19976 2 processing 19976 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19976 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19976 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; This spectrometer belongs to the Institute of Biophysical Chemistry Centre for Biomolecular Magnetic Resonance Goethe-University Max-von-Laue-Str. 9, Biocentre, N230 1.OG D-60438 Frankfurt am Main, Germany ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19976 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19976 1 2 spectrometer_2 Bruker Avance . 500 . . . 19976 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19976 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19976 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19976 1 3 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19976 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19976 1 5 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19976 1 6 'HNCO (H[N[trho(N)][CO]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19976 1 7 'HNcaCO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $Standard . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19976 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19976 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19976 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19976 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . isotropic 19976 1 2 '3D HN(CO)CA' . . isotropic 19976 1 3 '2D 1H-15N HSQC/HMQC' . . isotropic 19976 1 4 '3D HNCACB' . . isotropic 19976 1 5 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' . . isotropic 19976 1 6 'HNCO (H[N[trho(N)][CO]])' . . isotropic 19976 1 7 'HNcaCO (H[N[ca[CO]]])' . . isotropic 19976 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $TOPSPIN . . 19976 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET H H 1 8.699 0.000 . 1 . . . . . 3 MET H . 19976 1 2 . 1 1 3 3 MET C C 13 176.520 0.030 . 1 . . . . . 3 MET C . 19976 1 3 . 1 1 3 3 MET CA C 13 56.578 0.000 . 1 . . . . . 3 MET CA . 19976 1 4 . 1 1 3 3 MET CB C 13 31.787 0.004 . 1 . . . . . 3 MET CB . 19976 1 5 . 1 1 3 3 MET N N 15 122.541 0.080 . 1 . . . . . 3 MET N . 19976 1 6 . 1 1 4 4 LYS H H 1 8.245 0.000 . 1 . . . . . 4 LYS H . 19976 1 7 . 1 1 4 4 LYS C C 13 177.322 0.007 . 1 . . . . . 4 LYS C . 19976 1 8 . 1 1 4 4 LYS CA C 13 59.165 0.000 . 1 . . . . . 4 LYS CA . 19976 1 9 . 1 1 4 4 LYS CB C 13 32.735 0.004 . 1 . . . . . 4 LYS CB . 19976 1 10 . 1 1 4 4 LYS N N 15 120.073 0.023 . 1 . . . . . 4 LYS N . 19976 1 11 . 1 1 5 5 ASP H H 1 8.038 0.000 . 1 . . . . . 5 ASP H . 19976 1 12 . 1 1 5 5 ASP C C 13 177.930 0.002 . 1 . . . . . 5 ASP C . 19976 1 13 . 1 1 5 5 ASP CA C 13 56.242 0.000 . 1 . . . . . 5 ASP CA . 19976 1 14 . 1 1 5 5 ASP CB C 13 40.839 0.005 . 1 . . . . . 5 ASP CB . 19976 1 15 . 1 1 5 5 ASP N N 15 119.594 0.015 . 1 . . . . . 5 ASP N . 19976 1 16 . 1 1 6 6 ASP H H 1 7.826 0.000 . 1 . . . . . 6 ASP H . 19976 1 17 . 1 1 6 6 ASP C C 13 179.420 0.003 . 1 . . . . . 6 ASP C . 19976 1 18 . 1 1 6 6 ASP CA C 13 57.132 0.000 . 1 . . . . . 6 ASP CA . 19976 1 19 . 1 1 6 6 ASP CB C 13 41.043 0.002 . 1 . . . . . 6 ASP CB . 19976 1 20 . 1 1 6 6 ASP N N 15 120.965 0.021 . 1 . . . . . 6 ASP N . 19976 1 21 . 1 1 7 7 PHE H H 1 7.646 0.000 . 1 . . . . . 7 PHE H . 19976 1 22 . 1 1 7 7 PHE C C 13 177.724 0.007 . 1 . . . . . 7 PHE C . 19976 1 23 . 1 1 7 7 PHE CA C 13 60.867 0.000 . 1 . . . . . 7 PHE CA . 19976 1 24 . 1 1 7 7 PHE CB C 13 36.069 0.003 . 1 . . . . . 7 PHE CB . 19976 1 25 . 1 1 7 7 PHE N N 15 118.765 0.025 . 1 . . . . . 7 PHE N . 19976 1 26 . 1 1 8 8 ALA H H 1 8.151 0.000 . 1 . . . . . 8 ALA H . 19976 1 27 . 1 1 8 8 ALA C C 13 181.269 0.002 . 1 . . . . . 8 ALA C . 19976 1 28 . 1 1 8 8 ALA CA C 13 55.290 0.000 . 1 . . . . . 8 ALA CA . 19976 1 29 . 1 1 8 8 ALA CB C 13 18.060 0.002 . 1 . . . . . 8 ALA CB . 19976 1 30 . 1 1 8 8 ALA N N 15 123.400 0.024 . 1 . . . . . 8 ALA N . 19976 1 31 . 1 1 9 9 LYS H H 1 7.944 0.000 . 1 . . . . . 9 LYS H . 19976 1 32 . 1 1 9 9 LYS C C 13 179.631 0.015 . 1 . . . . . 9 LYS C . 19976 1 33 . 1 1 9 9 LYS CA C 13 58.994 0.000 . 1 . . . . . 9 LYS CA . 19976 1 34 . 1 1 9 9 LYS CB C 13 31.912 0.001 . 1 . . . . . 9 LYS CB . 19976 1 35 . 1 1 9 9 LYS N N 15 118.770 0.029 . 1 . . . . . 9 LYS N . 19976 1 36 . 1 1 10 10 LEU H H 1 7.407 0.000 . 1 . . . . . 10 LEU H . 19976 1 37 . 1 1 10 10 LEU C C 13 179.305 0.006 . 1 . . . . . 10 LEU C . 19976 1 38 . 1 1 10 10 LEU CA C 13 58.050 0.000 . 1 . . . . . 10 LEU CA . 19976 1 39 . 1 1 10 10 LEU CB C 13 41.929 0.004 . 1 . . . . . 10 LEU CB . 19976 1 40 . 1 1 10 10 LEU N N 15 120.690 0.013 . 1 . . . . . 10 LEU N . 19976 1 41 . 1 1 11 11 GLU H H 1 8.088 0.000 . 1 . . . . . 11 GLU H . 19976 1 42 . 1 1 11 11 GLU C C 13 179.663 0.007 . 1 . . . . . 11 GLU C . 19976 1 43 . 1 1 11 11 GLU CA C 13 60.793 0.000 . 1 . . . . . 11 GLU CA . 19976 1 44 . 1 1 11 11 GLU CB C 13 30.014 0.001 . 1 . . . . . 11 GLU CB . 19976 1 45 . 1 1 11 11 GLU N N 15 119.240 0.014 . 1 . . . . . 11 GLU N . 19976 1 46 . 1 1 12 12 GLU H H 1 7.819 0.000 . 1 . . . . . 12 GLU H . 19976 1 47 . 1 1 12 12 GLU C C 13 179.646 0.004 . 1 . . . . . 12 GLU C . 19976 1 48 . 1 1 12 12 GLU CA C 13 58.978 0.000 . 1 . . . . . 12 GLU CA . 19976 1 49 . 1 1 12 12 GLU CB C 13 30.044 0.002 . 1 . . . . . 12 GLU CB . 19976 1 50 . 1 1 12 12 GLU N N 15 118.072 0.018 . 1 . . . . . 12 GLU N . 19976 1 51 . 1 1 13 13 GLN H H 1 8.601 0.000 . 1 . . . . . 13 GLN H . 19976 1 52 . 1 1 13 13 GLN C C 13 177.873 0.025 . 1 . . . . . 13 GLN C . 19976 1 53 . 1 1 13 13 GLN CA C 13 58.810 0.000 . 1 . . . . . 13 GLN CA . 19976 1 54 . 1 1 13 13 GLN CB C 13 28.985 0.002 . 1 . . . . . 13 GLN CB . 19976 1 55 . 1 1 13 13 GLN N N 15 120.572 0.020 . 1 . . . . . 13 GLN N . 19976 1 56 . 1 1 14 14 PHE H H 1 8.275 0.000 . 1 . . . . . 14 PHE H . 19976 1 57 . 1 1 14 14 PHE C C 13 174.096 0.034 . 1 . . . . . 14 PHE C . 19976 1 58 . 1 1 14 14 PHE CA C 13 58.620 0.000 . 1 . . . . . 14 PHE CA . 19976 1 59 . 1 1 14 14 PHE CB C 13 39.181 0.002 . 1 . . . . . 14 PHE CB . 19976 1 60 . 1 1 14 14 PHE N N 15 113.957 0.010 . 1 . . . . . 14 PHE N . 19976 1 61 . 1 1 15 15 ASP H H 1 7.812 0.000 . 1 . . . . . 15 ASP H . 19976 1 62 . 1 1 15 15 ASP C C 13 175.190 0.004 . 1 . . . . . 15 ASP C . 19976 1 63 . 1 1 15 15 ASP CA C 13 54.725 0.000 . 1 . . . . . 15 ASP CA . 19976 1 64 . 1 1 15 15 ASP CB C 13 39.225 0.001 . 1 . . . . . 15 ASP CB . 19976 1 65 . 1 1 15 15 ASP N N 15 123.243 0.016 . 1 . . . . . 15 ASP N . 19976 1 66 . 1 1 16 16 ALA H H 1 8.737 0.000 . 1 . . . . . 16 ALA H . 19976 1 67 . 1 1 16 16 ALA C C 13 174.708 0.007 . 1 . . . . . 16 ALA C . 19976 1 68 . 1 1 16 16 ALA CA C 13 50.891 0.000 . 1 . . . . . 16 ALA CA . 19976 1 69 . 1 1 16 16 ALA CB C 13 24.450 0.002 . 1 . . . . . 16 ALA CB . 19976 1 70 . 1 1 16 16 ALA N N 15 123.093 0.013 . 1 . . . . . 16 ALA N . 19976 1 71 . 1 1 17 17 LYS H H 1 9.122 0.000 . 1 . . . . . 17 LYS H . 19976 1 72 . 1 1 17 17 LYS C C 13 175.505 0.009 . 1 . . . . . 17 LYS C . 19976 1 73 . 1 1 17 17 LYS CA C 13 54.711 0.000 . 1 . . . . . 17 LYS CA . 19976 1 74 . 1 1 17 17 LYS CB C 13 34.983 0.002 . 1 . . . . . 17 LYS CB . 19976 1 75 . 1 1 17 17 LYS N N 15 121.420 0.016 . 1 . . . . . 17 LYS N . 19976 1 76 . 1 1 18 18 LEU H H 1 9.972 0.000 . 1 . . . . . 18 LEU H . 19976 1 77 . 1 1 18 18 LEU C C 13 174.850 0.005 . 1 . . . . . 18 LEU C . 19976 1 78 . 1 1 18 18 LEU CA C 13 53.367 0.000 . 1 . . . . . 18 LEU CA . 19976 1 79 . 1 1 18 18 LEU CB C 13 48.372 0.005 . 1 . . . . . 18 LEU CB . 19976 1 80 . 1 1 18 18 LEU N N 15 126.909 0.025 . 1 . . . . . 18 LEU N . 19976 1 81 . 1 1 19 19 GLY H H 1 8.475 0.000 . 1 . . . . . 19 GLY H . 19976 1 82 . 1 1 19 19 GLY C C 13 172.342 0.013 . 1 . . . . . 19 GLY C . 19976 1 83 . 1 1 19 19 GLY CA C 13 45.186 0.001 . 1 . . . . . 19 GLY CA . 19976 1 84 . 1 1 19 19 GLY N N 15 108.201 0.010 . 1 . . . . . 19 GLY N . 19976 1 85 . 1 1 20 20 ILE H H 1 9.434 0.000 . 1 . . . . . 20 ILE H . 19976 1 86 . 1 1 20 20 ILE C C 13 176.338 0.006 . 1 . . . . . 20 ILE C . 19976 1 87 . 1 1 20 20 ILE CA C 13 58.024 0.000 . 1 . . . . . 20 ILE CA . 19976 1 88 . 1 1 20 20 ILE CB C 13 41.488 0.002 . 1 . . . . . 20 ILE CB . 19976 1 89 . 1 1 20 20 ILE N N 15 123.014 0.017 . 1 . . . . . 20 ILE N . 19976 1 90 . 1 1 21 21 PHE H H 1 8.082 0.000 . 1 . . . . . 21 PHE H . 19976 1 91 . 1 1 21 21 PHE C C 13 172.058 0.006 . 1 . . . . . 21 PHE C . 19976 1 92 . 1 1 21 21 PHE CA C 13 59.193 0.000 . 1 . . . . . 21 PHE CA . 19976 1 93 . 1 1 21 21 PHE CB C 13 41.568 0.002 . 1 . . . . . 21 PHE CB . 19976 1 94 . 1 1 21 21 PHE N N 15 125.592 0.017 . 1 . . . . . 21 PHE N . 19976 1 95 . 1 1 22 22 ALA H H 1 8.310 0.000 . 1 . . . . . 22 ALA H . 19976 1 96 . 1 1 22 22 ALA C C 13 173.997 0.006 . 1 . . . . . 22 ALA C . 19976 1 97 . 1 1 22 22 ALA CA C 13 49.307 0.000 . 1 . . . . . 22 ALA CA . 19976 1 98 . 1 1 22 22 ALA CB C 13 24.551 0.001 . 1 . . . . . 22 ALA CB . 19976 1 99 . 1 1 22 22 ALA N N 15 129.677 0.023 . 1 . . . . . 22 ALA N . 19976 1 100 . 1 1 23 23 LEU H H 1 8.850 0.000 . 1 . . . . . 23 LEU H . 19976 1 101 . 1 1 23 23 LEU C C 13 174.846 0.002 . 1 . . . . . 23 LEU C . 19976 1 102 . 1 1 23 23 LEU CA C 13 53.086 0.000 . 1 . . . . . 23 LEU CA . 19976 1 103 . 1 1 23 23 LEU CB C 13 46.643 0.002 . 1 . . . . . 23 LEU CB . 19976 1 104 . 1 1 23 23 LEU N N 15 122.017 0.017 . 1 . . . . . 23 LEU N . 19976 1 105 . 1 1 24 24 ASP H H 1 8.720 0.000 . 1 . . . . . 24 ASP H . 19976 1 106 . 1 1 24 24 ASP C C 13 177.280 0.017 . 1 . . . . . 24 ASP C . 19976 1 107 . 1 1 24 24 ASP CA C 13 53.146 0.000 . 1 . . . . . 24 ASP CA . 19976 1 108 . 1 1 24 24 ASP CB C 13 41.786 0.002 . 1 . . . . . 24 ASP CB . 19976 1 109 . 1 1 24 24 ASP N N 15 126.012 0.021 . 1 . . . . . 24 ASP N . 19976 1 110 . 1 1 25 25 THR H H 1 8.218 0.000 . 1 . . . . . 25 THR H . 19976 1 111 . 1 1 25 25 THR C C 13 175.711 0.014 . 1 . . . . . 25 THR C . 19976 1 112 . 1 1 25 25 THR CA C 13 64.506 0.000 . 1 . . . . . 25 THR CA . 19976 1 113 . 1 1 25 25 THR CB C 13 68.790 0.005 . 1 . . . . . 25 THR CB . 19976 1 114 . 1 1 25 25 THR N N 15 117.392 0.037 . 1 . . . . . 25 THR N . 19976 1 115 . 1 1 26 26 GLY H H 1 8.624 0.000 . 1 . . . . . 26 GLY H . 19976 1 116 . 1 1 26 26 GLY C C 13 175.091 0.000 . 1 . . . . . 26 GLY C . 19976 1 117 . 1 1 26 26 GLY CA C 13 46.518 0.002 . 1 . . . . . 26 GLY CA . 19976 1 118 . 1 1 26 26 GLY N N 15 109.373 0.008 . 1 . . . . . 26 GLY N . 19976 1 119 . 1 1 27 27 THR H H 1 6.863 0.000 . 1 . . . . . 27 THR H . 19976 1 120 . 1 1 27 27 THR C C 13 175.584 0.007 . 1 . . . . . 27 THR C . 19976 1 121 . 1 1 27 27 THR CA C 13 61.410 0.000 . 1 . . . . . 27 THR CA . 19976 1 122 . 1 1 27 27 THR CB C 13 71.944 0.003 . 1 . . . . . 27 THR CB . 19976 1 123 . 1 1 27 27 THR N N 15 106.967 0.027 . 1 . . . . . 27 THR N . 19976 1 124 . 1 1 28 28 ASN H H 1 8.466 0.000 . 1 . . . . . 28 ASN H . 19976 1 125 . 1 1 28 28 ASN C C 13 174.211 0.000 . 1 . . . . . 28 ASN C . 19976 1 126 . 1 1 28 28 ASN CA C 13 55.210 0.000 . 1 . . . . . 28 ASN CA . 19976 1 127 . 1 1 28 28 ASN CB C 13 37.593 0.001 . 1 . . . . . 28 ASN CB . 19976 1 128 . 1 1 28 28 ASN N N 15 117.938 0.013 . 1 . . . . . 28 ASN N . 19976 1 129 . 1 1 29 29 ARG H H 1 7.562 0.000 . 1 . . . . . 29 ARG H . 19976 1 130 . 1 1 29 29 ARG C C 13 175.406 0.003 . 1 . . . . . 29 ARG C . 19976 1 131 . 1 1 29 29 ARG CA C 13 57.070 0.000 . 1 . . . . . 29 ARG CA . 19976 1 132 . 1 1 29 29 ARG CB C 13 31.725 0.001 . 1 . . . . . 29 ARG CB . 19976 1 133 . 1 1 29 29 ARG N N 15 119.263 0.023 . 1 . . . . . 29 ARG N . 19976 1 134 . 1 1 30 30 THR H H 1 7.960 0.000 . 1 . . . . . 30 THR H . 19976 1 135 . 1 1 30 30 THR C C 13 174.934 0.006 . 1 . . . . . 30 THR C . 19976 1 136 . 1 1 30 30 THR CA C 13 58.444 0.000 . 1 . . . . . 30 THR CA . 19976 1 137 . 1 1 30 30 THR CB C 13 73.075 0.002 . 1 . . . . . 30 THR CB . 19976 1 138 . 1 1 30 30 THR N N 15 110.440 0.016 . 1 . . . . . 30 THR N . 19976 1 139 . 1 1 31 31 VAL H H 1 8.097 0.000 . 1 . . . . . 31 VAL H . 19976 1 140 . 1 1 31 31 VAL C C 13 173.223 0.013 . 1 . . . . . 31 VAL C . 19976 1 141 . 1 1 31 31 VAL CA C 13 61.610 0.000 . 1 . . . . . 31 VAL CA . 19976 1 142 . 1 1 31 31 VAL CB C 13 35.036 0.002 . 1 . . . . . 31 VAL CB . 19976 1 143 . 1 1 31 31 VAL N N 15 120.486 0.028 . 1 . . . . . 31 VAL N . 19976 1 144 . 1 1 32 32 ALA H H 1 8.465 0.000 . 1 . . . . . 32 ALA H . 19976 1 145 . 1 1 32 32 ALA C C 13 175.686 0.003 . 1 . . . . . 32 ALA C . 19976 1 146 . 1 1 32 32 ALA CA C 13 50.724 0.000 . 1 . . . . . 32 ALA CA . 19976 1 147 . 1 1 32 32 ALA CB C 13 23.161 0.001 . 1 . . . . . 32 ALA CB . 19976 1 148 . 1 1 32 32 ALA N N 15 127.871 0.014 . 1 . . . . . 32 ALA N . 19976 1 149 . 1 1 33 33 TYR H H 1 8.702 0.000 . 1 . . . . . 33 TYR H . 19976 1 150 . 1 1 33 33 TYR C C 13 172.237 0.008 . 1 . . . . . 33 TYR C . 19976 1 151 . 1 1 33 33 TYR CA C 13 59.509 0.000 . 1 . . . . . 33 TYR CA . 19976 1 152 . 1 1 33 33 TYR CB C 13 41.036 0.001 . 1 . . . . . 33 TYR CB . 19976 1 153 . 1 1 33 33 TYR N N 15 124.176 0.023 . 1 . . . . . 33 TYR N . 19976 1 154 . 1 1 34 34 ARG H H 1 8.804 0.000 . 1 . . . . . 34 ARG H . 19976 1 155 . 1 1 34 34 ARG C C 13 175.190 0.000 . 1 . . . . . 34 ARG C . 19976 1 156 . 1 1 34 34 ARG CA C 13 57.337 0.000 . 1 . . . . . 34 ARG CA . 19976 1 157 . 1 1 34 34 ARG CB C 13 28.133 0.002 . 1 . . . . . 34 ARG CB . 19976 1 158 . 1 1 34 34 ARG N N 15 123.141 0.010 . 1 . . . . . 34 ARG N . 19976 1 159 . 1 1 35 35 PRO C C 13 174.672 0.000 . 1 . . . . . 35 PRO C . 19976 1 160 . 1 1 35 35 PRO CA C 13 65.324 0.000 . 1 . . . . . 35 PRO CA . 19976 1 161 . 1 1 35 35 PRO CB C 13 32.592 0.000 . 1 . . . . . 35 PRO CB . 19976 1 162 . 1 1 36 36 ASP H H 1 8.164 0.000 . 1 . . . . . 36 ASP H . 19976 1 163 . 1 1 36 36 ASP C C 13 174.590 0.001 . 1 . . . . . 36 ASP C . 19976 1 164 . 1 1 36 36 ASP CA C 13 53.500 0.000 . 1 . . . . . 36 ASP CA . 19976 1 165 . 1 1 36 36 ASP CB C 13 42.123 0.004 . 1 . . . . . 36 ASP CB . 19976 1 166 . 1 1 36 36 ASP N N 15 114.472 0.021 . 1 . . . . . 36 ASP N . 19976 1 167 . 1 1 37 37 GLU H H 1 6.943 0.000 . 1 . . . . . 37 GLU H . 19976 1 168 . 1 1 37 37 GLU C C 13 176.113 0.004 . 1 . . . . . 37 GLU C . 19976 1 169 . 1 1 37 37 GLU CA C 13 55.532 0.000 . 1 . . . . . 37 GLU CA . 19976 1 170 . 1 1 37 37 GLU CB C 13 30.847 0.002 . 1 . . . . . 37 GLU CB . 19976 1 171 . 1 1 37 37 GLU N N 15 122.059 0.012 . 1 . . . . . 37 GLU N . 19976 1 172 . 1 1 38 38 ARG H H 1 8.422 0.000 . 1 . . . . . 38 ARG H . 19976 1 173 . 1 1 38 38 ARG C C 13 176.717 0.005 . 1 . . . . . 38 ARG C . 19976 1 174 . 1 1 38 38 ARG CA C 13 56.572 0.000 . 1 . . . . . 38 ARG CA . 19976 1 175 . 1 1 38 38 ARG CB C 13 31.674 0.001 . 1 . . . . . 38 ARG CB . 19976 1 176 . 1 1 38 38 ARG N N 15 124.382 0.019 . 1 . . . . . 38 ARG N . 19976 1 177 . 1 1 39 39 PHE H H 1 8.652 0.000 . 1 . . . . . 39 PHE H . 19976 1 178 . 1 1 39 39 PHE C C 13 175.361 0.054 . 1 . . . . . 39 PHE C . 19976 1 179 . 1 1 39 39 PHE CA C 13 56.374 0.000 . 1 . . . . . 39 PHE CA . 19976 1 180 . 1 1 39 39 PHE CB C 13 43.687 0.004 . 1 . . . . . 39 PHE CB . 19976 1 181 . 1 1 39 39 PHE N N 15 119.189 0.013 . 1 . . . . . 39 PHE N . 19976 1 182 . 1 1 40 40 ALA H H 1 9.250 0.000 . 1 . . . . . 40 ALA H . 19976 1 183 . 1 1 40 40 ALA C C 13 177.434 0.002 . 1 . . . . . 40 ALA C . 19976 1 184 . 1 1 40 40 ALA CA C 13 52.736 0.000 . 1 . . . . . 40 ALA CA . 19976 1 185 . 1 1 40 40 ALA CB C 13 17.720 0.001 . 1 . . . . . 40 ALA CB . 19976 1 186 . 1 1 40 40 ALA N N 15 126.166 0.019 . 1 . . . . . 40 ALA N . 19976 1 187 . 1 1 41 41 PHE H H 1 7.228 0.024 . 1 . . . . . 41 PHE H . 19976 1 188 . 1 1 41 41 PHE C C 13 179.000 0.023 . 1 . . . . . 41 PHE C . 19976 1 189 . 1 1 41 41 PHE CA C 13 57.068 0.009 . 1 . . . . . 41 PHE CA . 19976 1 190 . 1 1 41 41 PHE CB C 13 37.192 0.004 . 1 . . . . . 41 PHE CB . 19976 1 191 . 1 1 41 41 PHE N N 15 119.506 0.010 . 1 . . . . . 41 PHE N . 19976 1 192 . 1 1 42 42 ALA H H 1 10.255 0.028 . 1 . . . . . 42 ALA H . 19976 1 193 . 1 1 42 42 ALA C C 13 178.178 0.007 . 1 . . . . . 42 ALA C . 19976 1 194 . 1 1 42 42 ALA CA C 13 52.490 0.008 . 1 . . . . . 42 ALA CA . 19976 1 195 . 1 1 42 42 ALA CB C 13 19.045 0.003 . 1 . . . . . 42 ALA CB . 19976 1 196 . 1 1 42 42 ALA N N 15 132.985 0.029 . 1 . . . . . 42 ALA N . 19976 1 197 . 1 1 43 43 SER H H 1 7.531 0.000 . 1 . . . . . 43 SER H . 19976 1 198 . 1 1 43 43 SER C C 13 175.402 0.014 . 1 . . . . . 43 SER C . 19976 1 199 . 1 1 43 43 SER CA C 13 62.049 0.008 . 1 . . . . . 43 SER CA . 19976 1 200 . 1 1 43 43 SER CB C 13 62.693 0.009 . 1 . . . . . 43 SER CB . 19976 1 201 . 1 1 43 43 SER N N 15 113.698 0.044 . 1 . . . . . 43 SER N . 19976 1 202 . 1 1 44 44 THR H H 1 7.738 0.000 . 1 . . . . . 44 THR H . 19976 1 203 . 1 1 44 44 THR C C 13 176.994 0.021 . 1 . . . . . 44 THR C . 19976 1 204 . 1 1 44 44 THR CA C 13 66.411 0.000 . 1 . . . . . 44 THR CA . 19976 1 205 . 1 1 44 44 THR CB C 13 67.746 0.003 . 1 . . . . . 44 THR CB . 19976 1 206 . 1 1 44 44 THR N N 15 114.959 0.033 . 1 . . . . . 44 THR N . 19976 1 207 . 1 1 45 45 ILE H H 1 6.888 0.000 . 1 . . . . . 45 ILE H . 19976 1 208 . 1 1 45 45 ILE C C 13 178.191 0.008 . 1 . . . . . 45 ILE C . 19976 1 209 . 1 1 45 45 ILE CA C 13 57.893 0.000 . 1 . . . . . 45 ILE CA . 19976 1 210 . 1 1 45 45 ILE CB C 13 38.934 0.001 . 1 . . . . . 45 ILE CB . 19976 1 211 . 1 1 45 45 ILE N N 15 118.780 0.018 . 1 . . . . . 45 ILE N . 19976 1 212 . 1 1 46 46 LYS H H 1 8.090 0.000 . 1 . . . . . 46 LYS H . 19976 1 213 . 1 1 46 46 LYS C C 13 179.317 0.084 . 1 . . . . . 46 LYS C . 19976 1 214 . 1 1 46 46 LYS CA C 13 59.673 0.000 . 1 . . . . . 46 LYS CA . 19976 1 215 . 1 1 46 46 LYS CB C 13 32.155 0.001 . 1 . . . . . 46 LYS CB . 19976 1 216 . 1 1 46 46 LYS N N 15 126.719 0.005 . 1 . . . . . 46 LYS N . 19976 1 217 . 1 1 47 47 ALA H H 1 7.086 0.013 . 1 . . . . . 47 ALA H . 19976 1 218 . 1 1 47 47 ALA C C 13 177.238 0.034 . 1 . . . . . 47 ALA C . 19976 1 219 . 1 1 47 47 ALA CA C 13 55.100 0.002 . 1 . . . . . 47 ALA CA . 19976 1 220 . 1 1 47 47 ALA CB C 13 17.930 0.001 . 1 . . . . . 47 ALA CB . 19976 1 221 . 1 1 47 47 ALA N N 15 118.709 0.002 . 1 . . . . . 47 ALA N . 19976 1 222 . 1 1 48 48 LEU H H 1 5.998 0.007 . 1 . . . . . 48 LEU H . 19976 1 223 . 1 1 48 48 LEU C C 13 176.850 0.015 . 1 . . . . . 48 LEU C . 19976 1 224 . 1 1 48 48 LEU CA C 13 56.936 0.035 . 1 . . . . . 48 LEU CA . 19976 1 225 . 1 1 48 48 LEU CB C 13 40.522 0.000 . 1 . . . . . 48 LEU CB . 19976 1 226 . 1 1 48 48 LEU N N 15 113.990 0.045 . 1 . . . . . 48 LEU N . 19976 1 227 . 1 1 49 49 THR H H 1 7.855 0.000 . 1 . . . . . 49 THR H . 19976 1 228 . 1 1 49 49 THR C C 13 175.502 0.026 . 1 . . . . . 49 THR C . 19976 1 229 . 1 1 49 49 THR CA C 13 67.147 0.000 . 1 . . . . . 49 THR CA . 19976 1 230 . 1 1 49 49 THR CB C 13 68.242 0.002 . 1 . . . . . 49 THR CB . 19976 1 231 . 1 1 49 49 THR N N 15 114.013 0.011 . 1 . . . . . 49 THR N . 19976 1 232 . 1 1 50 50 VAL H H 1 7.181 0.000 . 1 . . . . . 50 VAL H . 19976 1 233 . 1 1 50 50 VAL C C 13 176.694 0.033 . 1 . . . . . 50 VAL C . 19976 1 234 . 1 1 50 50 VAL CA C 13 66.765 0.000 . 1 . . . . . 50 VAL CA . 19976 1 235 . 1 1 50 50 VAL CB C 13 30.971 0.001 . 1 . . . . . 50 VAL CB . 19976 1 236 . 1 1 50 50 VAL N N 15 120.132 0.003 . 1 . . . . . 50 VAL N . 19976 1 237 . 1 1 51 51 GLY H H 1 7.366 0.000 . 1 . . . . . 51 GLY H . 19976 1 238 . 1 1 51 51 GLY C C 13 173.230 0.011 . 1 . . . . . 51 GLY C . 19976 1 239 . 1 1 51 51 GLY CA C 13 47.448 0.002 . 1 . . . . . 51 GLY CA . 19976 1 240 . 1 1 51 51 GLY N N 15 107.607 0.021 . 1 . . . . . 51 GLY N . 19976 1 241 . 1 1 52 52 VAL H H 1 7.032 0.000 . 1 . . . . . 52 VAL H . 19976 1 242 . 1 1 52 52 VAL C C 13 177.898 0.022 . 1 . . . . . 52 VAL C . 19976 1 243 . 1 1 52 52 VAL CA C 13 66.353 0.000 . 1 . . . . . 52 VAL CA . 19976 1 244 . 1 1 52 52 VAL CB C 13 31.198 0.001 . 1 . . . . . 52 VAL CB . 19976 1 245 . 1 1 52 52 VAL N N 15 120.193 0.014 . 1 . . . . . 52 VAL N . 19976 1 246 . 1 1 53 53 LEU H H 1 7.999 0.000 . 1 . . . . . 53 LEU H . 19976 1 247 . 1 1 53 53 LEU C C 13 178.101 0.004 . 1 . . . . . 53 LEU C . 19976 1 248 . 1 1 53 53 LEU CA C 13 58.791 0.000 . 1 . . . . . 53 LEU CA . 19976 1 249 . 1 1 53 53 LEU CB C 13 41.807 0.002 . 1 . . . . . 53 LEU CB . 19976 1 250 . 1 1 53 53 LEU N N 15 121.905 0.012 . 1 . . . . . 53 LEU N . 19976 1 251 . 1 1 54 54 LEU H H 1 8.492 0.000 . 1 . . . . . 54 LEU H . 19976 1 252 . 1 1 54 54 LEU C C 13 177.429 0.004 . 1 . . . . . 54 LEU C . 19976 1 253 . 1 1 54 54 LEU CA C 13 56.643 0.000 . 1 . . . . . 54 LEU CA . 19976 1 254 . 1 1 54 54 LEU CB C 13 41.826 0.001 . 1 . . . . . 54 LEU CB . 19976 1 255 . 1 1 54 54 LEU N N 15 115.408 0.011 . 1 . . . . . 54 LEU N . 19976 1 256 . 1 1 55 55 GLN H H 1 7.868 0.000 . 1 . . . . . 55 GLN H . 19976 1 257 . 1 1 55 55 GLN C C 13 178.416 0.013 . 1 . . . . . 55 GLN C . 19976 1 258 . 1 1 55 55 GLN CA C 13 58.821 0.000 . 1 . . . . . 55 GLN CA . 19976 1 259 . 1 1 55 55 GLN CB C 13 30.024 0.001 . 1 . . . . . 55 GLN CB . 19976 1 260 . 1 1 55 55 GLN N N 15 118.511 0.017 . 1 . . . . . 55 GLN N . 19976 1 261 . 1 1 56 56 GLN H H 1 7.687 0.000 . 1 . . . . . 56 GLN H . 19976 1 262 . 1 1 56 56 GLN C C 13 176.330 0.003 . 1 . . . . . 56 GLN C . 19976 1 263 . 1 1 56 56 GLN CA C 13 57.241 0.000 . 1 . . . . . 56 GLN CA . 19976 1 264 . 1 1 56 56 GLN CB C 13 30.274 0.001 . 1 . . . . . 56 GLN CB . 19976 1 265 . 1 1 56 56 GLN N N 15 115.443 0.012 . 1 . . . . . 56 GLN N . 19976 1 266 . 1 1 57 57 LYS H H 1 7.711 0.000 . 1 . . . . . 57 LYS H . 19976 1 267 . 1 1 57 57 LYS C C 13 175.902 0.002 . 1 . . . . . 57 LYS C . 19976 1 268 . 1 1 57 57 LYS CA C 13 53.172 0.000 . 1 . . . . . 57 LYS CA . 19976 1 269 . 1 1 57 57 LYS CB C 13 34.582 0.002 . 1 . . . . . 57 LYS CB . 19976 1 270 . 1 1 57 57 LYS N N 15 119.581 0.018 . 1 . . . . . 57 LYS N . 19976 1 271 . 1 1 58 58 SER H H 1 9.060 0.000 . 1 . . . . . 58 SER H . 19976 1 272 . 1 1 58 58 SER C C 13 175.056 0.002 . 1 . . . . . 58 SER C . 19976 1 273 . 1 1 58 58 SER CA C 13 56.910 0.000 . 1 . . . . . 58 SER CA . 19976 1 274 . 1 1 58 58 SER CB C 13 65.044 0.001 . 1 . . . . . 58 SER CB . 19976 1 275 . 1 1 58 58 SER N N 15 117.460 0.013 . 1 . . . . . 58 SER N . 19976 1 276 . 1 1 59 59 ILE H H 1 8.655 0.000 . 1 . . . . . 59 ILE H . 19976 1 277 . 1 1 59 59 ILE C C 13 179.723 0.015 . 1 . . . . . 59 ILE C . 19976 1 278 . 1 1 59 59 ILE CA C 13 64.709 0.000 . 1 . . . . . 59 ILE CA . 19976 1 279 . 1 1 59 59 ILE CB C 13 36.448 0.002 . 1 . . . . . 59 ILE CB . 19976 1 280 . 1 1 59 59 ILE N N 15 120.264 0.010 . 1 . . . . . 59 ILE N . 19976 1 281 . 1 1 60 60 GLU H H 1 8.538 0.000 . 1 . . . . . 60 GLU H . 19976 1 282 . 1 1 60 60 GLU C C 13 179.859 0.005 . 1 . . . . . 60 GLU C . 19976 1 283 . 1 1 60 60 GLU CA C 13 59.698 0.000 . 1 . . . . . 60 GLU CA . 19976 1 284 . 1 1 60 60 GLU CB C 13 28.942 0.001 . 1 . . . . . 60 GLU CB . 19976 1 285 . 1 1 60 60 GLU N N 15 121.428 0.017 . 1 . . . . . 60 GLU N . 19976 1 286 . 1 1 61 61 ASP H H 1 8.092 0.000 . 1 . . . . . 61 ASP H . 19976 1 287 . 1 1 61 61 ASP C C 13 178.882 0.005 . 1 . . . . . 61 ASP C . 19976 1 288 . 1 1 61 61 ASP CA C 13 56.596 0.000 . 1 . . . . . 61 ASP CA . 19976 1 289 . 1 1 61 61 ASP CB C 13 40.985 0.001 . 1 . . . . . 61 ASP CB . 19976 1 290 . 1 1 61 61 ASP N N 15 121.990 0.018 . 1 . . . . . 61 ASP N . 19976 1 291 . 1 1 62 62 LEU H H 1 7.684 0.000 . 1 . . . . . 62 LEU H . 19976 1 292 . 1 1 62 62 LEU C C 13 176.363 0.004 . 1 . . . . . 62 LEU C . 19976 1 293 . 1 1 62 62 LEU CA C 13 56.033 0.000 . 1 . . . . . 62 LEU CA . 19976 1 294 . 1 1 62 62 LEU CB C 13 41.117 0.001 . 1 . . . . . 62 LEU CB . 19976 1 295 . 1 1 62 62 LEU N N 15 117.426 0.021 . 1 . . . . . 62 LEU N . 19976 1 296 . 1 1 63 63 ASN H H 1 7.625 0.000 . 1 . . . . . 63 ASN H . 19976 1 297 . 1 1 63 63 ASN C C 13 174.549 0.001 . 1 . . . . . 63 ASN C . 19976 1 298 . 1 1 63 63 ASN CA C 13 53.128 0.000 . 1 . . . . . 63 ASN CA . 19976 1 299 . 1 1 63 63 ASN CB C 13 38.500 0.001 . 1 . . . . . 63 ASN CB . 19976 1 300 . 1 1 63 63 ASN N N 15 114.993 0.017 . 1 . . . . . 63 ASN N . 19976 1 301 . 1 1 64 64 GLN H H 1 7.468 0.000 . 1 . . . . . 64 GLN H . 19976 1 302 . 1 1 64 64 GLN C C 13 174.737 0.005 . 1 . . . . . 64 GLN C . 19976 1 303 . 1 1 64 64 GLN CA C 13 56.631 0.000 . 1 . . . . . 64 GLN CA . 19976 1 304 . 1 1 64 64 GLN CB C 13 29.144 0.001 . 1 . . . . . 64 GLN CB . 19976 1 305 . 1 1 64 64 GLN N N 15 120.948 0.017 . 1 . . . . . 64 GLN N . 19976 1 306 . 1 1 65 65 ARG H H 1 8.508 0.000 . 1 . . . . . 65 ARG H . 19976 1 307 . 1 1 65 65 ARG C C 13 174.860 0.040 . 1 . . . . . 65 ARG C . 19976 1 308 . 1 1 65 65 ARG CA C 13 56.844 0.000 . 1 . . . . . 65 ARG CA . 19976 1 309 . 1 1 65 65 ARG CB C 13 31.101 0.002 . 1 . . . . . 65 ARG CB . 19976 1 310 . 1 1 65 65 ARG N N 15 125.527 0.014 . 1 . . . . . 65 ARG N . 19976 1 311 . 1 1 66 66 ILE H H 1 9.173 0.000 . 1 . . . . . 66 ILE H . 19976 1 312 . 1 1 66 66 ILE C C 13 175.431 0.001 . 1 . . . . . 66 ILE C . 19976 1 313 . 1 1 66 66 ILE CA C 13 58.295 0.000 . 1 . . . . . 66 ILE CA . 19976 1 314 . 1 1 66 66 ILE CB C 13 37.096 0.002 . 1 . . . . . 66 ILE CB . 19976 1 315 . 1 1 66 66 ILE N N 15 130.900 0.018 . 1 . . . . . 66 ILE N . 19976 1 316 . 1 1 67 67 THR H H 1 8.194 0.000 . 1 . . . . . 67 THR H . 19976 1 317 . 1 1 67 67 THR C C 13 173.529 0.012 . 1 . . . . . 67 THR C . 19976 1 318 . 1 1 67 67 THR CA C 13 60.586 0.000 . 1 . . . . . 67 THR CA . 19976 1 319 . 1 1 67 67 THR CB C 13 69.728 0.001 . 1 . . . . . 67 THR CB . 19976 1 320 . 1 1 67 67 THR N N 15 119.492 0.018 . 1 . . . . . 67 THR N . 19976 1 321 . 1 1 68 68 TYR H H 1 8.337 0.000 . 1 . . . . . 68 TYR H . 19976 1 322 . 1 1 68 68 TYR C C 13 173.030 0.003 . 1 . . . . . 68 TYR C . 19976 1 323 . 1 1 68 68 TYR CA C 13 55.606 0.000 . 1 . . . . . 68 TYR CA . 19976 1 324 . 1 1 68 68 TYR CB C 13 38.796 0.002 . 1 . . . . . 68 TYR CB . 19976 1 325 . 1 1 68 68 TYR N N 15 121.915 0.014 . 1 . . . . . 68 TYR N . 19976 1 326 . 1 1 69 69 THR H H 1 9.320 0.000 . 1 . . . . . 69 THR H . 19976 1 327 . 1 1 69 69 THR C C 13 176.682 0.005 . 1 . . . . . 69 THR C . 19976 1 328 . 1 1 69 69 THR CA C 13 59.765 0.000 . 1 . . . . . 69 THR CA . 19976 1 329 . 1 1 69 69 THR CB C 13 73.297 0.001 . 1 . . . . . 69 THR CB . 19976 1 330 . 1 1 69 69 THR N N 15 109.366 0.009 . 1 . . . . . 69 THR N . 19976 1 331 . 1 1 70 70 ARG H H 1 8.992 0.000 . 1 . . . . . 70 ARG H . 19976 1 332 . 1 1 70 70 ARG C C 13 178.332 0.039 . 1 . . . . . 70 ARG C . 19976 1 333 . 1 1 70 70 ARG CA C 13 59.438 0.000 . 1 . . . . . 70 ARG CA . 19976 1 334 . 1 1 70 70 ARG CB C 13 29.194 0.002 . 1 . . . . . 70 ARG CB . 19976 1 335 . 1 1 70 70 ARG N N 15 119.405 0.016 . 1 . . . . . 70 ARG N . 19976 1 336 . 1 1 71 71 ASP H H 1 7.921 0.000 . 1 . . . . . 71 ASP H . 19976 1 337 . 1 1 71 71 ASP C C 13 176.489 0.003 . 1 . . . . . 71 ASP C . 19976 1 338 . 1 1 71 71 ASP CA C 13 56.155 0.000 . 1 . . . . . 71 ASP CA . 19976 1 339 . 1 1 71 71 ASP CB C 13 40.638 0.001 . 1 . . . . . 71 ASP CB . 19976 1 340 . 1 1 71 71 ASP N N 15 118.383 0.018 . 1 . . . . . 71 ASP N . 19976 1 341 . 1 1 72 72 ASP H H 1 7.783 0.000 . 1 . . . . . 72 ASP H . 19976 1 342 . 1 1 72 72 ASP C C 13 175.855 0.005 . 1 . . . . . 72 ASP C . 19976 1 343 . 1 1 72 72 ASP CA C 13 55.539 0.000 . 1 . . . . . 72 ASP CA . 19976 1 344 . 1 1 72 72 ASP CB C 13 42.915 0.002 . 1 . . . . . 72 ASP CB . 19976 1 345 . 1 1 72 72 ASP N N 15 117.211 0.012 . 1 . . . . . 72 ASP N . 19976 1 346 . 1 1 73 73 LEU H H 1 7.155 0.000 . 1 . . . . . 73 LEU H . 19976 1 347 . 1 1 73 73 LEU C C 13 177.232 0.006 . 1 . . . . . 73 LEU C . 19976 1 348 . 1 1 73 73 LEU CA C 13 55.049 0.000 . 1 . . . . . 73 LEU CA . 19976 1 349 . 1 1 73 73 LEU CB C 13 40.011 0.001 . 1 . . . . . 73 LEU CB . 19976 1 350 . 1 1 73 73 LEU N N 15 118.325 0.010 . 1 . . . . . 73 LEU N . 19976 1 351 . 1 1 74 74 VAL H H 1 8.426 0.000 . 1 . . . . . 74 VAL H . 19976 1 352 . 1 1 74 74 VAL C C 13 175.593 0.002 . 1 . . . . . 74 VAL C . 19976 1 353 . 1 1 74 74 VAL CA C 13 59.015 0.000 . 1 . . . . . 74 VAL CA . 19976 1 354 . 1 1 74 74 VAL CB C 13 31.123 0.003 . 1 . . . . . 74 VAL CB . 19976 1 355 . 1 1 74 74 VAL N N 15 114.581 0.012 . 1 . . . . . 74 VAL N . 19976 1 356 . 1 1 75 75 ASN H H 1 8.468 0.000 . 1 . . . . . 75 ASN H . 19976 1 357 . 1 1 75 75 ASN C C 13 174.561 0.003 . 1 . . . . . 75 ASN C . 19976 1 358 . 1 1 75 75 ASN CA C 13 55.114 0.000 . 1 . . . . . 75 ASN CA . 19976 1 359 . 1 1 75 75 ASN CB C 13 37.591 0.003 . 1 . . . . . 75 ASN CB . 19976 1 360 . 1 1 75 75 ASN N N 15 122.112 0.017 . 1 . . . . . 75 ASN N . 19976 1 361 . 1 1 76 76 TYR H H 1 6.709 0.000 . 1 . . . . . 76 TYR H . 19976 1 362 . 1 1 76 76 TYR C C 13 172.316 0.008 . 1 . . . . . 76 TYR C . 19976 1 363 . 1 1 76 76 TYR CA C 13 59.230 0.000 . 1 . . . . . 76 TYR CA . 19976 1 364 . 1 1 76 76 TYR CB C 13 38.929 0.001 . 1 . . . . . 76 TYR CB . 19976 1 365 . 1 1 76 76 TYR N N 15 122.359 0.012 . 1 . . . . . 76 TYR N . 19976 1 366 . 1 1 77 77 ASN H H 1 8.903 0.000 . 1 . . . . . 77 ASN H . 19976 1 367 . 1 1 77 77 ASN C C 13 172.612 0.000 . 1 . . . . . 77 ASN C . 19976 1 368 . 1 1 77 77 ASN CA C 13 49.754 0.000 . 1 . . . . . 77 ASN CA . 19976 1 369 . 1 1 77 77 ASN CB C 13 41.257 0.003 . 1 . . . . . 77 ASN CB . 19976 1 370 . 1 1 77 77 ASN N N 15 127.124 0.007 . 1 . . . . . 77 ASN N . 19976 1 371 . 1 1 78 78 PRO C C 13 176.655 0.000 . 1 . . . . . 78 PRO C . 19976 1 372 . 1 1 78 78 PRO CA C 13 64.825 0.000 . 1 . . . . . 78 PRO CA . 19976 1 373 . 1 1 78 78 PRO CB C 13 31.008 0.000 . 1 . . . . . 78 PRO CB . 19976 1 374 . 1 1 79 79 ILE H H 1 8.347 0.000 . 1 . . . . . 79 ILE H . 19976 1 375 . 1 1 79 79 ILE C C 13 179.305 0.010 . 1 . . . . . 79 ILE C . 19976 1 376 . 1 1 79 79 ILE CA C 13 59.982 0.000 . 1 . . . . . 79 ILE CA . 19976 1 377 . 1 1 79 79 ILE CB C 13 37.111 0.001 . 1 . . . . . 79 ILE CB . 19976 1 378 . 1 1 79 79 ILE N N 15 116.111 0.011 . 1 . . . . . 79 ILE N . 19976 1 379 . 1 1 80 80 THR H H 1 9.377 0.000 . 1 . . . . . 80 THR H . 19976 1 380 . 1 1 80 80 THR C C 13 181.642 0.017 . 1 . . . . . 80 THR C . 19976 1 381 . 1 1 80 80 THR CA C 13 64.082 0.000 . 1 . . . . . 80 THR CA . 19976 1 382 . 1 1 80 80 THR CB C 13 69.228 0.003 . 1 . . . . . 80 THR CB . 19976 1 383 . 1 1 80 80 THR N N 15 114.477 0.007 . 1 . . . . . 80 THR N . 19976 1 384 . 1 1 81 81 GLU H H 1 8.228 0.000 . 1 . . . . . 81 GLU H . 19976 1 385 . 1 1 81 81 GLU C C 13 176.605 0.005 . 1 . . . . . 81 GLU C . 19976 1 386 . 1 1 81 81 GLU CA C 13 58.915 0.000 . 1 . . . . . 81 GLU CA . 19976 1 387 . 1 1 81 81 GLU CB C 13 28.446 0.002 . 1 . . . . . 81 GLU CB . 19976 1 388 . 1 1 81 81 GLU N N 15 120.477 0.018 . 1 . . . . . 81 GLU N . 19976 1 389 . 1 1 82 82 LYS H H 1 7.332 0.000 . 1 . . . . . 82 LYS H . 19976 1 390 . 1 1 82 82 LYS C C 13 177.277 0.003 . 1 . . . . . 82 LYS C . 19976 1 391 . 1 1 82 82 LYS CA C 13 56.416 0.000 . 1 . . . . . 82 LYS CA . 19976 1 392 . 1 1 82 82 LYS CB C 13 32.209 0.002 . 1 . . . . . 82 LYS CB . 19976 1 393 . 1 1 82 82 LYS N N 15 116.402 0.014 . 1 . . . . . 82 LYS N . 19976 1 394 . 1 1 83 83 HIS H H 1 6.869 0.000 . 1 . . . . . 83 HIS H . 19976 1 395 . 1 1 83 83 HIS C C 13 173.954 0.001 . 1 . . . . . 83 HIS C . 19976 1 396 . 1 1 83 83 HIS CA C 13 54.728 0.000 . 1 . . . . . 83 HIS CA . 19976 1 397 . 1 1 83 83 HIS CB C 13 29.462 0.001 . 1 . . . . . 83 HIS CB . 19976 1 398 . 1 1 83 83 HIS N N 15 114.348 0.010 . 1 . . . . . 83 HIS N . 19976 1 399 . 1 1 84 84 VAL H H 1 7.170 0.000 . 1 . . . . . 84 VAL H . 19976 1 400 . 1 1 84 84 VAL C C 13 176.000 0.015 . 1 . . . . . 84 VAL C . 19976 1 401 . 1 1 84 84 VAL CA C 13 64.700 0.000 . 1 . . . . . 84 VAL CA . 19976 1 402 . 1 1 84 84 VAL CB C 13 32.050 0.002 . 1 . . . . . 84 VAL CB . 19976 1 403 . 1 1 84 84 VAL N N 15 120.651 0.014 . 1 . . . . . 84 VAL N . 19976 1 404 . 1 1 85 85 ASP H H 1 8.295 0.000 . 1 . . . . . 85 ASP H . 19976 1 405 . 1 1 85 85 ASP C C 13 177.666 0.002 . 1 . . . . . 85 ASP C . 19976 1 406 . 1 1 85 85 ASP CA C 13 56.214 0.000 . 1 . . . . . 85 ASP CA . 19976 1 407 . 1 1 85 85 ASP CB C 13 40.332 0.001 . 1 . . . . . 85 ASP CB . 19976 1 408 . 1 1 85 85 ASP N N 15 115.794 0.015 . 1 . . . . . 85 ASP N . 19976 1 409 . 1 1 86 86 THR H H 1 7.387 0.000 . 1 . . . . . 86 THR H . 19976 1 410 . 1 1 86 86 THR C C 13 176.769 0.013 . 1 . . . . . 86 THR C . 19976 1 411 . 1 1 86 86 THR CA C 13 62.020 0.000 . 1 . . . . . 86 THR CA . 19976 1 412 . 1 1 86 86 THR CB C 13 70.993 0.002 . 1 . . . . . 86 THR CB . 19976 1 413 . 1 1 86 86 THR N N 15 107.885 0.011 . 1 . . . . . 86 THR N . 19976 1 414 . 1 1 87 87 GLY H H 1 8.103 0.000 . 1 . . . . . 87 GLY H . 19976 1 415 . 1 1 87 87 GLY C C 13 173.066 0.016 . 1 . . . . . 87 GLY C . 19976 1 416 . 1 1 87 87 GLY CA C 13 45.436 0.001 . 1 . . . . . 87 GLY CA . 19976 1 417 . 1 1 87 87 GLY N N 15 113.767 0.015 . 1 . . . . . 87 GLY N . 19976 1 418 . 1 1 88 88 MET H H 1 8.364 0.000 . 1 . . . . . 88 MET H . 19976 1 419 . 1 1 88 88 MET C C 13 175.290 0.003 . 1 . . . . . 88 MET C . 19976 1 420 . 1 1 88 88 MET CA C 13 55.105 0.000 . 1 . . . . . 88 MET CA . 19976 1 421 . 1 1 88 88 MET CB C 13 40.116 0.002 . 1 . . . . . 88 MET CB . 19976 1 422 . 1 1 88 88 MET N N 15 116.117 0.019 . 1 . . . . . 88 MET N . 19976 1 423 . 1 1 89 89 THR H H 1 9.184 0.000 . 1 . . . . . 89 THR H . 19976 1 424 . 1 1 89 89 THR C C 13 176.094 0.008 . 1 . . . . . 89 THR C . 19976 1 425 . 1 1 89 89 THR CA C 13 60.533 0.000 . 1 . . . . . 89 THR CA . 19976 1 426 . 1 1 89 89 THR CB C 13 70.612 0.003 . 1 . . . . . 89 THR CB . 19976 1 427 . 1 1 89 89 THR N N 15 113.397 0.016 . 1 . . . . . 89 THR N . 19976 1 428 . 1 1 90 90 LEU H H 1 7.855 0.000 . 1 . . . . . 90 LEU H . 19976 1 429 . 1 1 90 90 LEU C C 13 178.355 0.004 . 1 . . . . . 90 LEU C . 19976 1 430 . 1 1 90 90 LEU CA C 13 58.674 0.000 . 1 . . . . . 90 LEU CA . 19976 1 431 . 1 1 90 90 LEU CB C 13 42.463 0.001 . 1 . . . . . 90 LEU CB . 19976 1 432 . 1 1 90 90 LEU N N 15 120.834 0.012 . 1 . . . . . 90 LEU N . 19976 1 433 . 1 1 91 91 LYS H H 1 8.520 0.000 . 1 . . . . . 91 LYS H . 19976 1 434 . 1 1 91 91 LYS C C 13 177.705 0.007 . 1 . . . . . 91 LYS C . 19976 1 435 . 1 1 91 91 LYS CA C 13 60.514 0.000 . 1 . . . . . 91 LYS CA . 19976 1 436 . 1 1 91 91 LYS CB C 13 33.321 0.001 . 1 . . . . . 91 LYS CB . 19976 1 437 . 1 1 91 91 LYS N N 15 119.200 0.014 . 1 . . . . . 91 LYS N . 19976 1 438 . 1 1 92 92 GLU H H 1 7.631 0.000 . 1 . . . . . 92 GLU H . 19976 1 439 . 1 1 92 92 GLU C C 13 180.829 0.002 . 1 . . . . . 92 GLU C . 19976 1 440 . 1 1 92 92 GLU CA C 13 58.471 0.000 . 1 . . . . . 92 GLU CA . 19976 1 441 . 1 1 92 92 GLU CB C 13 29.973 0.002 . 1 . . . . . 92 GLU CB . 19976 1 442 . 1 1 92 92 GLU N N 15 118.265 0.016 . 1 . . . . . 92 GLU N . 19976 1 443 . 1 1 93 93 LEU H H 1 8.764 0.000 . 1 . . . . . 93 LEU H . 19976 1 444 . 1 1 93 93 LEU C C 13 177.737 0.002 . 1 . . . . . 93 LEU C . 19976 1 445 . 1 1 93 93 LEU CA C 13 57.907 0.000 . 1 . . . . . 93 LEU CA . 19976 1 446 . 1 1 93 93 LEU CB C 13 41.841 0.001 . 1 . . . . . 93 LEU CB . 19976 1 447 . 1 1 93 93 LEU N N 15 123.144 0.018 . 1 . . . . . 93 LEU N . 19976 1 448 . 1 1 94 94 ALA H H 1 8.112 0.000 . 1 . . . . . 94 ALA H . 19976 1 449 . 1 1 94 94 ALA C C 13 177.691 0.002 . 1 . . . . . 94 ALA C . 19976 1 450 . 1 1 94 94 ALA CA C 13 55.060 0.000 . 1 . . . . . 94 ALA CA . 19976 1 451 . 1 1 94 94 ALA CB C 13 16.900 0.001 . 1 . . . . . 94 ALA CB . 19976 1 452 . 1 1 94 94 ALA N N 15 124.659 0.017 . 1 . . . . . 94 ALA N . 19976 1 453 . 1 1 95 95 ASP H H 1 7.123 0.000 . 1 . . . . . 95 ASP H . 19976 1 454 . 1 1 95 95 ASP C C 13 177.169 0.002 . 1 . . . . . 95 ASP C . 19976 1 455 . 1 1 95 95 ASP CA C 13 57.253 0.000 . 1 . . . . . 95 ASP CA . 19976 1 456 . 1 1 95 95 ASP CB C 13 42.766 0.001 . 1 . . . . . 95 ASP CB . 19976 1 457 . 1 1 95 95 ASP N N 15 118.079 0.004 . 1 . . . . . 95 ASP N . 19976 1 458 . 1 1 96 96 ALA H H 1 7.698 0.000 . 1 . . . . . 96 ALA H . 19976 1 459 . 1 1 96 96 ALA C C 13 181.211 0.002 . 1 . . . . . 96 ALA C . 19976 1 460 . 1 1 96 96 ALA CA C 13 55.414 0.000 . 1 . . . . . 96 ALA CA . 19976 1 461 . 1 1 96 96 ALA CB C 13 18.159 0.001 . 1 . . . . . 96 ALA CB . 19976 1 462 . 1 1 96 96 ALA N N 15 119.280 0.013 . 1 . . . . . 96 ALA N . 19976 1 463 . 1 1 97 97 SER H H 1 8.518 0.000 . 1 . . . . . 97 SER H . 19976 1 464 . 1 1 97 97 SER C C 13 177.364 0.011 . 1 . . . . . 97 SER C . 19976 1 465 . 1 1 97 97 SER CA C 13 60.741 0.000 . 1 . . . . . 97 SER CA . 19976 1 466 . 1 1 97 97 SER CB C 13 64.249 0.002 . 1 . . . . . 97 SER CB . 19976 1 467 . 1 1 97 97 SER N N 15 114.191 0.016 . 1 . . . . . 97 SER N . 19976 1 468 . 1 1 98 98 LEU H H 1 8.205 0.000 . 1 . . . . . 98 LEU H . 19976 1 469 . 1 1 98 98 LEU C C 13 179.825 0.002 . 1 . . . . . 98 LEU C . 19976 1 470 . 1 1 98 98 LEU CA C 13 57.721 0.000 . 1 . . . . . 98 LEU CA . 19976 1 471 . 1 1 98 98 LEU CB C 13 41.093 0.003 . 1 . . . . . 98 LEU CB . 19976 1 472 . 1 1 98 98 LEU N N 15 114.658 0.006 . 1 . . . . . 98 LEU N . 19976 1 473 . 1 1 99 99 ARG H H 1 9.044 0.000 . 1 . . . . . 99 ARG H . 19976 1 474 . 1 1 99 99 ARG C C 13 177.277 0.006 . 1 . . . . . 99 ARG C . 19976 1 475 . 1 1 99 99 ARG CA C 13 59.025 0.000 . 1 . . . . . 99 ARG CA . 19976 1 476 . 1 1 99 99 ARG CB C 13 29.591 0.001 . 1 . . . . . 99 ARG CB . 19976 1 477 . 1 1 99 99 ARG N N 15 115.620 0.016 . 1 . . . . . 99 ARG N . 19976 1 478 . 1 1 100 100 TYR H H 1 7.215 0.000 . 1 . . . . . 100 TYR H . 19976 1 479 . 1 1 100 100 TYR C C 13 175.004 0.003 . 1 . . . . . 100 TYR C . 19976 1 480 . 1 1 100 100 TYR CA C 13 57.898 0.000 . 1 . . . . . 100 TYR CA . 19976 1 481 . 1 1 100 100 TYR CB C 13 39.690 0.003 . 1 . . . . . 100 TYR CB . 19976 1 482 . 1 1 100 100 TYR N N 15 113.124 0.010 . 1 . . . . . 100 TYR N . 19976 1 483 . 1 1 101 101 SER H H 1 7.438 0.000 . 1 . . . . . 101 SER H . 19976 1 484 . 1 1 101 101 SER C C 13 174.973 0.001 . 1 . . . . . 101 SER C . 19976 1 485 . 1 1 101 101 SER CA C 13 58.858 0.000 . 1 . . . . . 101 SER CA . 19976 1 486 . 1 1 101 101 SER CB C 13 64.479 0.002 . 1 . . . . . 101 SER CB . 19976 1 487 . 1 1 101 101 SER N N 15 120.048 0.009 . 1 . . . . . 101 SER N . 19976 1 488 . 1 1 102 102 ASP H H 1 7.380 0.000 . 1 . . . . . 102 ASP H . 19976 1 489 . 1 1 102 102 ASP C C 13 176.394 0.007 . 1 . . . . . 102 ASP C . 19976 1 490 . 1 1 102 102 ASP CA C 13 56.192 0.000 . 1 . . . . . 102 ASP CA . 19976 1 491 . 1 1 102 102 ASP CB C 13 44.081 0.002 . 1 . . . . . 102 ASP CB . 19976 1 492 . 1 1 102 102 ASP N N 15 120.919 0.020 . 1 . . . . . 102 ASP N . 19976 1 493 . 1 1 103 103 ASN H H 1 8.468 0.000 . 1 . . . . . 103 ASN H . 19976 1 494 . 1 1 103 103 ASN C C 13 177.231 0.018 . 1 . . . . . 103 ASN C . 19976 1 495 . 1 1 103 103 ASN CA C 13 55.673 0.000 . 1 . . . . . 103 ASN CA . 19976 1 496 . 1 1 103 103 ASN CB C 13 38.775 0.001 . 1 . . . . . 103 ASN CB . 19976 1 497 . 1 1 103 103 ASN N N 15 127.628 0.009 . 1 . . . . . 103 ASN N . 19976 1 498 . 1 1 104 104 ALA H H 1 7.439 0.000 . 1 . . . . . 104 ALA H . 19976 1 499 . 1 1 104 104 ALA C C 13 179.817 0.015 . 1 . . . . . 104 ALA C . 19976 1 500 . 1 1 104 104 ALA CA C 13 55.564 0.000 . 1 . . . . . 104 ALA CA . 19976 1 501 . 1 1 104 104 ALA CB C 13 17.610 0.001 . 1 . . . . . 104 ALA CB . 19976 1 502 . 1 1 104 104 ALA N N 15 124.662 0.017 . 1 . . . . . 104 ALA N . 19976 1 503 . 1 1 105 105 ALA H H 1 8.351 0.000 . 1 . . . . . 105 ALA H . 19976 1 504 . 1 1 105 105 ALA C C 13 178.345 0.017 . 1 . . . . . 105 ALA C . 19976 1 505 . 1 1 105 105 ALA CA C 13 55.190 0.000 . 1 . . . . . 105 ALA CA . 19976 1 506 . 1 1 105 105 ALA CB C 13 18.770 0.002 . 1 . . . . . 105 ALA CB . 19976 1 507 . 1 1 105 105 ALA N N 15 119.521 0.012 . 1 . . . . . 105 ALA N . 19976 1 508 . 1 1 106 106 GLN H H 1 7.058 0.000 . 1 . . . . . 106 GLN H . 19976 1 509 . 1 1 106 106 GLN C C 13 176.782 0.024 . 1 . . . . . 106 GLN C . 19976 1 510 . 1 1 106 106 GLN CA C 13 57.494 0.000 . 1 . . . . . 106 GLN CA . 19976 1 511 . 1 1 106 106 GLN CB C 13 27.189 0.001 . 1 . . . . . 106 GLN CB . 19976 1 512 . 1 1 106 106 GLN N N 15 116.218 0.012 . 1 . . . . . 106 GLN N . 19976 1 513 . 1 1 107 107 ASN H H 1 7.651 0.000 . 1 . . . . . 107 ASN H . 19976 1 514 . 1 1 107 107 ASN C C 13 178.010 0.006 . 1 . . . . . 107 ASN C . 19976 1 515 . 1 1 107 107 ASN CA C 13 55.976 0.000 . 1 . . . . . 107 ASN CA . 19976 1 516 . 1 1 107 107 ASN CB C 13 37.068 0.000 . 1 . . . . . 107 ASN CB . 19976 1 517 . 1 1 107 107 ASN N N 15 120.773 0.021 . 1 . . . . . 107 ASN N . 19976 1 518 . 1 1 108 108 LEU H H 1 8.467 0.000 . 1 . . . . . 108 LEU H . 19976 1 519 . 1 1 108 108 LEU C C 13 180.349 0.001 . 1 . . . . . 108 LEU C . 19976 1 520 . 1 1 108 108 LEU CA C 13 58.280 0.000 . 1 . . . . . 108 LEU CA . 19976 1 521 . 1 1 108 108 LEU CB C 13 42.410 0.002 . 1 . . . . . 108 LEU CB . 19976 1 522 . 1 1 108 108 LEU N N 15 121.493 0.018 . 1 . . . . . 108 LEU N . 19976 1 523 . 1 1 109 109 ILE H H 1 8.256 0.000 . 1 . . . . . 109 ILE H . 19976 1 524 . 1 1 109 109 ILE C C 13 178.004 0.021 . 1 . . . . . 109 ILE C . 19976 1 525 . 1 1 109 109 ILE CA C 13 66.439 0.000 . 1 . . . . . 109 ILE CA . 19976 1 526 . 1 1 109 109 ILE CB C 13 37.613 0.002 . 1 . . . . . 109 ILE CB . 19976 1 527 . 1 1 109 109 ILE N N 15 120.965 0.013 . 1 . . . . . 109 ILE N . 19976 1 528 . 1 1 110 110 LEU H H 1 8.957 0.000 . 1 . . . . . 110 LEU H . 19976 1 529 . 1 1 110 110 LEU C C 13 180.402 0.001 . 1 . . . . . 110 LEU C . 19976 1 530 . 1 1 110 110 LEU CA C 13 57.427 0.000 . 1 . . . . . 110 LEU CA . 19976 1 531 . 1 1 110 110 LEU CB C 13 42.935 0.001 . 1 . . . . . 110 LEU CB . 19976 1 532 . 1 1 110 110 LEU N N 15 120.798 0.014 . 1 . . . . . 110 LEU N . 19976 1 533 . 1 1 111 111 LYS H H 1 8.406 0.000 . 1 . . . . . 111 LYS H . 19976 1 534 . 1 1 111 111 LYS C C 13 179.892 0.007 . 1 . . . . . 111 LYS C . 19976 1 535 . 1 1 111 111 LYS CA C 13 60.360 0.000 . 1 . . . . . 111 LYS CA . 19976 1 536 . 1 1 111 111 LYS CB C 13 32.386 0.001 . 1 . . . . . 111 LYS CB . 19976 1 537 . 1 1 111 111 LYS N N 15 119.417 0.021 . 1 . . . . . 111 LYS N . 19976 1 538 . 1 1 112 112 GLN H H 1 7.687 0.000 . 1 . . . . . 112 GLN H . 19976 1 539 . 1 1 112 112 GLN C C 13 177.955 0.002 . 1 . . . . . 112 GLN C . 19976 1 540 . 1 1 112 112 GLN CA C 13 57.467 0.000 . 1 . . . . . 112 GLN CA . 19976 1 541 . 1 1 112 112 GLN CB C 13 27.765 0.001 . 1 . . . . . 112 GLN CB . 19976 1 542 . 1 1 112 112 GLN N N 15 118.584 0.015 . 1 . . . . . 112 GLN N . 19976 1 543 . 1 1 113 113 ILE H H 1 7.406 0.000 . 1 . . . . . 113 ILE H . 19976 1 544 . 1 1 113 113 ILE C C 13 175.521 0.007 . 1 . . . . . 113 ILE C . 19976 1 545 . 1 1 113 113 ILE CA C 13 61.226 0.000 . 1 . . . . . 113 ILE CA . 19976 1 546 . 1 1 113 113 ILE CB C 13 38.850 0.001 . 1 . . . . . 113 ILE CB . 19976 1 547 . 1 1 113 113 ILE N N 15 110.867 0.011 . 1 . . . . . 113 ILE N . 19976 1 548 . 1 1 114 114 GLY H H 1 7.441 0.000 . 1 . . . . . 114 GLY H . 19976 1 549 . 1 1 114 114 GLY C C 13 175.473 0.014 . 1 . . . . . 114 GLY C . 19976 1 550 . 1 1 114 114 GLY CA C 13 45.186 0.002 . 1 . . . . . 114 GLY CA . 19976 1 551 . 1 1 114 114 GLY N N 15 107.283 0.009 . 1 . . . . . 114 GLY N . 19976 1 552 . 1 1 115 115 GLY H H 1 8.504 0.000 . 1 . . . . . 115 GLY H . 19976 1 553 . 1 1 115 115 GLY C C 13 171.314 0.000 . 1 . . . . . 115 GLY C . 19976 1 554 . 1 1 115 115 GLY CA C 13 44.673 0.001 . 1 . . . . . 115 GLY CA . 19976 1 555 . 1 1 115 115 GLY N N 15 109.471 0.014 . 1 . . . . . 115 GLY N . 19976 1 556 . 1 1 116 116 PRO C C 13 176.669 0.000 . 1 . . . . . 116 PRO C . 19976 1 557 . 1 1 116 116 PRO CA C 13 65.944 0.000 . 1 . . . . . 116 PRO CA . 19976 1 558 . 1 1 116 116 PRO CB C 13 31.309 0.000 . 1 . . . . . 116 PRO CB . 19976 1 559 . 1 1 117 117 GLU H H 1 8.816 0.000 . 1 . . . . . 117 GLU H . 19976 1 560 . 1 1 117 117 GLU C C 13 179.545 0.006 . 1 . . . . . 117 GLU C . 19976 1 561 . 1 1 117 117 GLU CA C 13 59.288 0.000 . 1 . . . . . 117 GLU CA . 19976 1 562 . 1 1 117 117 GLU CB C 13 29.064 0.002 . 1 . . . . . 117 GLU CB . 19976 1 563 . 1 1 117 117 GLU N N 15 116.721 0.012 . 1 . . . . . 117 GLU N . 19976 1 564 . 1 1 118 118 SER H H 1 7.007 0.000 . 1 . . . . . 118 SER H . 19976 1 565 . 1 1 118 118 SER C C 13 176.266 0.008 . 1 . . . . . 118 SER C . 19976 1 566 . 1 1 118 118 SER CA C 13 61.054 0.000 . 1 . . . . . 118 SER CA . 19976 1 567 . 1 1 118 118 SER CB C 13 63.282 0.002 . 1 . . . . . 118 SER CB . 19976 1 568 . 1 1 118 118 SER N N 15 116.115 0.018 . 1 . . . . . 118 SER N . 19976 1 569 . 1 1 119 119 LEU H H 1 7.772 0.000 . 1 . . . . . 119 LEU H . 19976 1 570 . 1 1 119 119 LEU C C 13 177.370 0.002 . 1 . . . . . 119 LEU C . 19976 1 571 . 1 1 119 119 LEU CA C 13 58.356 0.000 . 1 . . . . . 119 LEU CA . 19976 1 572 . 1 1 119 119 LEU CB C 13 41.078 0.001 . 1 . . . . . 119 LEU CB . 19976 1 573 . 1 1 119 119 LEU N N 15 121.692 0.013 . 1 . . . . . 119 LEU N . 19976 1 574 . 1 1 120 120 LYS H H 1 8.452 0.000 . 1 . . . . . 120 LYS H . 19976 1 575 . 1 1 120 120 LYS C C 13 177.308 0.007 . 1 . . . . . 120 LYS C . 19976 1 576 . 1 1 120 120 LYS CA C 13 60.859 0.000 . 1 . . . . . 120 LYS CA . 19976 1 577 . 1 1 120 120 LYS CB C 13 32.273 0.001 . 1 . . . . . 120 LYS CB . 19976 1 578 . 1 1 120 120 LYS N N 15 118.488 0.021 . 1 . . . . . 120 LYS N . 19976 1 579 . 1 1 121 121 LYS H H 1 7.698 0.000 . 1 . . . . . 121 LYS H . 19976 1 580 . 1 1 121 121 LYS C C 13 179.854 0.012 . 1 . . . . . 121 LYS C . 19976 1 581 . 1 1 121 121 LYS CA C 13 60.129 0.000 . 1 . . . . . 121 LYS CA . 19976 1 582 . 1 1 121 121 LYS CB C 13 32.454 0.001 . 1 . . . . . 121 LYS CB . 19976 1 583 . 1 1 121 121 LYS N N 15 117.789 0.014 . 1 . . . . . 121 LYS N . 19976 1 584 . 1 1 122 122 GLU H H 1 8.249 0.000 . 1 . . . . . 122 GLU H . 19976 1 585 . 1 1 122 122 GLU C C 13 179.862 0.004 . 1 . . . . . 122 GLU C . 19976 1 586 . 1 1 122 122 GLU CA C 13 58.348 0.000 . 1 . . . . . 122 GLU CA . 19976 1 587 . 1 1 122 122 GLU CB C 13 29.199 0.001 . 1 . . . . . 122 GLU CB . 19976 1 588 . 1 1 122 122 GLU N N 15 118.778 0.021 . 1 . . . . . 122 GLU N . 19976 1 589 . 1 1 123 123 LEU H H 1 8.302 0.000 . 1 . . . . . 123 LEU H . 19976 1 590 . 1 1 123 123 LEU C C 13 179.590 0.001 . 1 . . . . . 123 LEU C . 19976 1 591 . 1 1 123 123 LEU CA C 13 57.257 0.000 . 1 . . . . . 123 LEU CA . 19976 1 592 . 1 1 123 123 LEU CB C 13 39.599 0.001 . 1 . . . . . 123 LEU CB . 19976 1 593 . 1 1 123 123 LEU N N 15 121.055 0.027 . 1 . . . . . 123 LEU N . 19976 1 594 . 1 1 124 124 ARG H H 1 8.570 0.000 . 1 . . . . . 124 ARG H . 19976 1 595 . 1 1 124 124 ARG C C 13 181.596 0.011 . 1 . . . . . 124 ARG C . 19976 1 596 . 1 1 124 124 ARG CA C 13 57.994 0.000 . 1 . . . . . 124 ARG CA . 19976 1 597 . 1 1 124 124 ARG CB C 13 28.750 0.002 . 1 . . . . . 124 ARG CB . 19976 1 598 . 1 1 124 124 ARG N N 15 120.709 0.026 . 1 . . . . . 124 ARG N . 19976 1 599 . 1 1 125 125 LYS H H 1 7.675 0.000 . 1 . . . . . 125 LYS H . 19976 1 600 . 1 1 125 125 LYS C C 13 178.831 0.005 . 1 . . . . . 125 LYS C . 19976 1 601 . 1 1 125 125 LYS CA C 13 59.382 0.000 . 1 . . . . . 125 LYS CA . 19976 1 602 . 1 1 125 125 LYS CB C 13 32.834 0.001 . 1 . . . . . 125 LYS CB . 19976 1 603 . 1 1 125 125 LYS N N 15 119.566 0.018 . 1 . . . . . 125 LYS N . 19976 1 604 . 1 1 126 126 ILE H H 1 7.229 0.000 . 1 . . . . . 126 ILE H . 19976 1 605 . 1 1 126 126 ILE C C 13 175.725 0.009 . 1 . . . . . 126 ILE C . 19976 1 606 . 1 1 126 126 ILE CA C 13 61.160 0.000 . 1 . . . . . 126 ILE CA . 19976 1 607 . 1 1 126 126 ILE CB C 13 38.392 0.002 . 1 . . . . . 126 ILE CB . 19976 1 608 . 1 1 126 126 ILE N N 15 111.579 0.013 . 1 . . . . . 126 ILE N . 19976 1 609 . 1 1 127 127 GLY H H 1 7.582 0.000 . 1 . . . . . 127 GLY H . 19976 1 610 . 1 1 127 127 GLY C C 13 173.234 0.016 . 1 . . . . . 127 GLY C . 19976 1 611 . 1 1 127 127 GLY CA C 13 44.774 0.003 . 1 . . . . . 127 GLY CA . 19976 1 612 . 1 1 127 127 GLY N N 15 108.678 0.017 . 1 . . . . . 127 GLY N . 19976 1 613 . 1 1 128 128 ASP H H 1 7.821 0.000 . 1 . . . . . 128 ASP H . 19976 1 614 . 1 1 128 128 ASP C C 13 175.788 0.001 . 1 . . . . . 128 ASP C . 19976 1 615 . 1 1 128 128 ASP CA C 13 52.580 0.000 . 1 . . . . . 128 ASP CA . 19976 1 616 . 1 1 128 128 ASP CB C 13 39.716 0.002 . 1 . . . . . 128 ASP CB . 19976 1 617 . 1 1 128 128 ASP N N 15 121.750 0.014 . 1 . . . . . 128 ASP N . 19976 1 618 . 1 1 129 129 GLU H H 1 8.469 0.000 . 1 . . . . . 129 GLU H . 19976 1 619 . 1 1 129 129 GLU C C 13 175.901 0.001 . 1 . . . . . 129 GLU C . 19976 1 620 . 1 1 129 129 GLU CA C 13 55.783 0.000 . 1 . . . . . 129 GLU CA . 19976 1 621 . 1 1 129 129 GLU CB C 13 30.131 0.002 . 1 . . . . . 129 GLU CB . 19976 1 622 . 1 1 129 129 GLU N N 15 124.392 0.013 . 1 . . . . . 129 GLU N . 19976 1 623 . 1 1 130 130 VAL H H 1 8.725 0.000 . 1 . . . . . 130 VAL H . 19976 1 624 . 1 1 130 130 VAL C C 13 176.305 0.013 . 1 . . . . . 130 VAL C . 19976 1 625 . 1 1 130 130 VAL CA C 13 64.190 0.000 . 1 . . . . . 130 VAL CA . 19976 1 626 . 1 1 130 130 VAL CB C 13 34.885 0.002 . 1 . . . . . 130 VAL CB . 19976 1 627 . 1 1 130 130 VAL N N 15 123.948 0.022 . 1 . . . . . 130 VAL N . 19976 1 628 . 1 1 131 131 THR H H 1 9.795 0.000 . 1 . . . . . 131 THR H . 19976 1 629 . 1 1 131 131 THR C C 13 176.335 0.019 . 1 . . . . . 131 THR C . 19976 1 630 . 1 1 131 131 THR CA C 13 65.040 0.000 . 1 . . . . . 131 THR CA . 19976 1 631 . 1 1 131 131 THR CB C 13 66.546 0.003 . 1 . . . . . 131 THR CB . 19976 1 632 . 1 1 131 131 THR N N 15 123.809 0.008 . 1 . . . . . 131 THR N . 19976 1 633 . 1 1 132 132 ASN H H 1 8.608 0.000 . 1 . . . . . 132 ASN H . 19976 1 634 . 1 1 132 132 ASN C C 13 171.424 0.000 . 1 . . . . . 132 ASN C . 19976 1 635 . 1 1 132 132 ASN CA C 13 50.752 0.000 . 1 . . . . . 132 ASN CA . 19976 1 636 . 1 1 132 132 ASN CB C 13 40.112 0.002 . 1 . . . . . 132 ASN CB . 19976 1 637 . 1 1 132 132 ASN N N 15 125.014 0.006 . 1 . . . . . 132 ASN N . 19976 1 638 . 1 1 133 133 PRO C C 13 175.182 0.000 . 1 . . . . . 133 PRO C . 19976 1 639 . 1 1 133 133 PRO CA C 13 63.640 0.000 . 1 . . . . . 133 PRO CA . 19976 1 640 . 1 1 133 133 PRO CB C 13 31.422 0.000 . 1 . . . . . 133 PRO CB . 19976 1 641 . 1 1 134 134 GLU H H 1 9.626 0.000 . 1 . . . . . 134 GLU H . 19976 1 642 . 1 1 134 134 GLU C C 13 176.494 0.007 . 1 . . . . . 134 GLU C . 19976 1 643 . 1 1 134 134 GLU CA C 13 57.498 0.000 . 1 . . . . . 134 GLU CA . 19976 1 644 . 1 1 134 134 GLU CB C 13 34.444 0.003 . 1 . . . . . 134 GLU CB . 19976 1 645 . 1 1 134 134 GLU N N 15 124.540 0.025 . 1 . . . . . 134 GLU N . 19976 1 646 . 1 1 135 135 ARG H H 1 8.671 0.000 . 1 . . . . . 135 ARG H . 19976 1 647 . 1 1 135 135 ARG C C 13 175.092 0.005 . 1 . . . . . 135 ARG C . 19976 1 648 . 1 1 135 135 ARG CA C 13 55.376 0.000 . 1 . . . . . 135 ARG CA . 19976 1 649 . 1 1 135 135 ARG CB C 13 34.498 0.002 . 1 . . . . . 135 ARG CB . 19976 1 650 . 1 1 135 135 ARG N N 15 121.026 0.008 . 1 . . . . . 135 ARG N . 19976 1 651 . 1 1 136 136 PHE H H 1 8.347 0.000 . 1 . . . . . 136 PHE H . 19976 1 652 . 1 1 136 136 PHE C C 13 177.142 0.004 . 1 . . . . . 136 PHE C . 19976 1 653 . 1 1 136 136 PHE CA C 13 57.932 0.000 . 1 . . . . . 136 PHE CA . 19976 1 654 . 1 1 136 136 PHE CB C 13 39.863 0.002 . 1 . . . . . 136 PHE CB . 19976 1 655 . 1 1 136 136 PHE N N 15 116.773 0.012 . 1 . . . . . 136 PHE N . 19976 1 656 . 1 1 137 137 GLU H H 1 9.592 0.000 . 1 . . . . . 137 GLU H . 19976 1 657 . 1 1 137 137 GLU C C 13 177.960 0.000 . 1 . . . . . 137 GLU C . 19976 1 658 . 1 1 137 137 GLU CA C 13 55.348 0.000 . 1 . . . . . 137 GLU CA . 19976 1 659 . 1 1 137 137 GLU CB C 13 29.250 0.004 . 1 . . . . . 137 GLU CB . 19976 1 660 . 1 1 137 137 GLU N N 15 117.186 0.020 . 1 . . . . . 137 GLU N . 19976 1 661 . 1 1 138 138 PRO C C 13 178.077 0.000 . 1 . . . . . 138 PRO C . 19976 1 662 . 1 1 138 138 PRO CA C 13 63.341 0.000 . 1 . . . . . 138 PRO CA . 19976 1 663 . 1 1 138 138 PRO CB C 13 33.378 0.000 . 1 . . . . . 138 PRO CB . 19976 1 664 . 1 1 139 139 GLU H H 1 9.022 0.000 . 1 . . . . . 139 GLU H . 19976 1 665 . 1 1 139 139 GLU C C 13 177.440 0.059 . 1 . . . . . 139 GLU C . 19976 1 666 . 1 1 139 139 GLU CA C 13 61.110 0.000 . 1 . . . . . 139 GLU CA . 19976 1 667 . 1 1 139 139 GLU CB C 13 28.958 0.001 . 1 . . . . . 139 GLU CB . 19976 1 668 . 1 1 139 139 GLU N N 15 130.011 0.018 . 1 . . . . . 139 GLU N . 19976 1 669 . 1 1 140 140 LEU H H 1 7.944 0.000 . 1 . . . . . 140 LEU H . 19976 1 670 . 1 1 140 140 LEU C C 13 175.248 0.007 . 1 . . . . . 140 LEU C . 19976 1 671 . 1 1 140 140 LEU CA C 13 57.302 0.000 . 1 . . . . . 140 LEU CA . 19976 1 672 . 1 1 140 140 LEU CB C 13 40.626 0.002 . 1 . . . . . 140 LEU CB . 19976 1 673 . 1 1 140 140 LEU N N 15 115.311 0.016 . 1 . . . . . 140 LEU N . 19976 1 674 . 1 1 141 141 ASN H H 1 7.493 0.000 . 1 . . . . . 141 ASN H . 19976 1 675 . 1 1 141 141 ASN C C 13 175.006 0.004 . 1 . . . . . 141 ASN C . 19976 1 676 . 1 1 141 141 ASN CA C 13 54.561 0.000 . 1 . . . . . 141 ASN CA . 19976 1 677 . 1 1 141 141 ASN CB C 13 40.716 0.002 . 1 . . . . . 141 ASN CB . 19976 1 678 . 1 1 141 141 ASN N N 15 115.605 0.017 . 1 . . . . . 141 ASN N . 19976 1 679 . 1 1 142 142 GLU H H 1 7.977 0.000 . 1 . . . . . 142 GLU H . 19976 1 680 . 1 1 142 142 GLU C C 13 174.899 0.001 . 1 . . . . . 142 GLU C . 19976 1 681 . 1 1 142 142 GLU CA C 13 55.221 0.000 . 1 . . . . . 142 GLU CA . 19976 1 682 . 1 1 142 142 GLU CB C 13 28.162 0.001 . 1 . . . . . 142 GLU CB . 19976 1 683 . 1 1 142 142 GLU N N 15 121.895 0.012 . 1 . . . . . 142 GLU N . 19976 1 684 . 1 1 143 143 VAL H H 1 7.500 0.000 . 1 . . . . . 143 VAL H . 19976 1 685 . 1 1 143 143 VAL C C 13 175.008 0.013 . 1 . . . . . 143 VAL C . 19976 1 686 . 1 1 143 143 VAL CA C 13 61.793 0.000 . 1 . . . . . 143 VAL CA . 19976 1 687 . 1 1 143 143 VAL CB C 13 34.766 0.001 . 1 . . . . . 143 VAL CB . 19976 1 688 . 1 1 143 143 VAL N N 15 128.951 0.014 . 1 . . . . . 143 VAL N . 19976 1 689 . 1 1 144 144 ASN H H 1 8.433 0.000 . 1 . . . . . 144 ASN H . 19976 1 690 . 1 1 144 144 ASN C C 13 172.499 0.000 . 1 . . . . . 144 ASN C . 19976 1 691 . 1 1 144 144 ASN CA C 13 50.787 0.000 . 1 . . . . . 144 ASN CA . 19976 1 692 . 1 1 144 144 ASN CB C 13 38.233 0.001 . 1 . . . . . 144 ASN CB . 19976 1 693 . 1 1 144 144 ASN N N 15 126.116 0.016 . 1 . . . . . 144 ASN N . 19976 1 694 . 1 1 145 145 PRO C C 13 177.397 0.000 . 1 . . . . . 145 PRO C . 19976 1 695 . 1 1 145 145 PRO CA C 13 64.183 0.000 . 1 . . . . . 145 PRO CA . 19976 1 696 . 1 1 145 145 PRO CB C 13 31.282 0.000 . 1 . . . . . 145 PRO CB . 19976 1 697 . 1 1 146 146 GLY H H 1 8.380 0.000 . 1 . . . . . 146 GLY H . 19976 1 698 . 1 1 146 146 GLY C C 13 174.624 0.017 . 1 . . . . . 146 GLY C . 19976 1 699 . 1 1 146 146 GLY CA C 13 45.016 0.003 . 1 . . . . . 146 GLY CA . 19976 1 700 . 1 1 146 146 GLY N N 15 114.142 0.012 . 1 . . . . . 146 GLY N . 19976 1 701 . 1 1 147 147 GLU H H 1 7.791 0.000 . 1 . . . . . 147 GLU H . 19976 1 702 . 1 1 147 147 GLU C C 13 177.171 0.004 . 1 . . . . . 147 GLU C . 19976 1 703 . 1 1 147 147 GLU CA C 13 55.882 0.000 . 1 . . . . . 147 GLU CA . 19976 1 704 . 1 1 147 147 GLU CB C 13 30.184 0.001 . 1 . . . . . 147 GLU CB . 19976 1 705 . 1 1 147 147 GLU N N 15 120.868 0.014 . 1 . . . . . 147 GLU N . 19976 1 706 . 1 1 148 148 THR H H 1 8.246 0.000 . 1 . . . . . 148 THR H . 19976 1 707 . 1 1 148 148 THR C C 13 178.467 0.012 . 1 . . . . . 148 THR C . 19976 1 708 . 1 1 148 148 THR CA C 13 61.055 0.000 . 1 . . . . . 148 THR CA . 19976 1 709 . 1 1 148 148 THR CB C 13 69.596 0.001 . 1 . . . . . 148 THR CB . 19976 1 710 . 1 1 148 148 THR N N 15 106.633 0.001 . 1 . . . . . 148 THR N . 19976 1 711 . 1 1 149 149 GLN H H 1 8.590 0.000 . 1 . . . . . 149 GLN H . 19976 1 712 . 1 1 149 149 GLN C C 13 172.966 0.003 . 1 . . . . . 149 GLN C . 19976 1 713 . 1 1 149 149 GLN CA C 13 57.105 0.000 . 1 . . . . . 149 GLN CA . 19976 1 714 . 1 1 149 149 GLN CB C 13 27.146 0.001 . 1 . . . . . 149 GLN CB . 19976 1 715 . 1 1 149 149 GLN N N 15 131.410 0.018 . 1 . . . . . 149 GLN N . 19976 1 716 . 1 1 150 150 ASP H H 1 8.339 0.000 . 1 . . . . . 150 ASP H . 19976 1 717 . 1 1 150 150 ASP C C 13 175.325 0.000 . 1 . . . . . 150 ASP C . 19976 1 718 . 1 1 150 150 ASP CA C 13 55.334 0.000 . 1 . . . . . 150 ASP CA . 19976 1 719 . 1 1 150 150 ASP CB C 13 41.133 0.001 . 1 . . . . . 150 ASP CB . 19976 1 720 . 1 1 150 150 ASP N N 15 114.090 0.029 . 1 . . . . . 150 ASP N . 19976 1 721 . 1 1 151 151 THR H H 1 6.709 0.000 . 1 . . . . . 151 THR H . 19976 1 722 . 1 1 151 151 THR C C 13 175.598 0.005 . 1 . . . . . 151 THR C . 19976 1 723 . 1 1 151 151 THR CA C 13 58.923 0.000 . 1 . . . . . 151 THR CA . 19976 1 724 . 1 1 151 151 THR CB C 13 74.907 0.001 . 1 . . . . . 151 THR CB . 19976 1 725 . 1 1 151 151 THR N N 15 101.244 0.010 . 1 . . . . . 151 THR N . 19976 1 726 . 1 1 152 152 SER H H 1 8.675 0.000 . 1 . . . . . 152 SER H . 19976 1 727 . 1 1 152 152 SER C C 13 172.582 0.001 . 1 . . . . . 152 SER C . 19976 1 728 . 1 1 152 152 SER CA C 13 56.903 0.000 . 1 . . . . . 152 SER CA . 19976 1 729 . 1 1 152 152 SER CB C 13 63.003 0.003 . 1 . . . . . 152 SER CB . 19976 1 730 . 1 1 152 152 SER N N 15 112.059 0.005 . 1 . . . . . 152 SER N . 19976 1 731 . 1 1 153 153 THR H H 1 8.582 0.000 . 1 . . . . . 153 THR H . 19976 1 732 . 1 1 153 153 THR C C 13 173.701 0.006 . 1 . . . . . 153 THR C . 19976 1 733 . 1 1 153 153 THR CA C 13 58.046 0.000 . 1 . . . . . 153 THR CA . 19976 1 734 . 1 1 153 153 THR CB C 13 72.011 0.001 . 1 . . . . . 153 THR CB . 19976 1 735 . 1 1 153 153 THR N N 15 110.037 0.007 . 1 . . . . . 153 THR N . 19976 1 736 . 1 1 154 154 ALA H H 1 9.911 0.000 . 1 . . . . . 154 ALA H . 19976 1 737 . 1 1 154 154 ALA C C 13 178.659 0.000 . 1 . . . . . 154 ALA C . 19976 1 738 . 1 1 154 154 ALA CA C 13 55.867 0.000 . 1 . . . . . 154 ALA CA . 19976 1 739 . 1 1 154 154 ALA CB C 13 17.710 0.004 . 1 . . . . . 154 ALA CB . 19976 1 740 . 1 1 154 154 ALA N N 15 125.929 0.019 . 1 . . . . . 154 ALA N . 19976 1 741 . 1 1 155 155 ARG H H 1 8.207 0.000 . 1 . . . . . 155 ARG H . 19976 1 742 . 1 1 155 155 ARG C C 13 179.347 0.004 . 1 . . . . . 155 ARG C . 19976 1 743 . 1 1 155 155 ARG CA C 13 59.206 0.000 . 1 . . . . . 155 ARG CA . 19976 1 744 . 1 1 155 155 ARG CB C 13 31.438 0.002 . 1 . . . . . 155 ARG CB . 19976 1 745 . 1 1 155 155 ARG N N 15 116.249 0.019 . 1 . . . . . 155 ARG N . 19976 1 746 . 1 1 156 156 ALA H H 1 7.833 0.000 . 1 . . . . . 156 ALA H . 19976 1 747 . 1 1 156 156 ALA C C 13 179.557 0.001 . 1 . . . . . 156 ALA C . 19976 1 748 . 1 1 156 156 ALA CA C 13 55.187 0.000 . 1 . . . . . 156 ALA CA . 19976 1 749 . 1 1 156 156 ALA CB C 13 18.622 0.002 . 1 . . . . . 156 ALA CB . 19976 1 750 . 1 1 156 156 ALA N N 15 123.857 0.013 . 1 . . . . . 156 ALA N . 19976 1 751 . 1 1 157 157 LEU H H 1 8.244 0.000 . 1 . . . . . 157 LEU H . 19976 1 752 . 1 1 157 157 LEU C C 13 179.509 0.000 . 1 . . . . . 157 LEU C . 19976 1 753 . 1 1 157 157 LEU CA C 13 58.457 0.000 . 1 . . . . . 157 LEU CA . 19976 1 754 . 1 1 157 157 LEU CB C 13 42.375 0.001 . 1 . . . . . 157 LEU CB . 19976 1 755 . 1 1 157 157 LEU N N 15 116.999 0.016 . 1 . . . . . 157 LEU N . 19976 1 756 . 1 1 158 158 VAL H H 1 7.648 0.000 . 1 . . . . . 158 VAL H . 19976 1 757 . 1 1 158 158 VAL C C 13 177.083 0.018 . 1 . . . . . 158 VAL C . 19976 1 758 . 1 1 158 158 VAL CA C 13 67.372 0.000 . 1 . . . . . 158 VAL CA . 19976 1 759 . 1 1 158 158 VAL CB C 13 31.595 0.001 . 1 . . . . . 158 VAL CB . 19976 1 760 . 1 1 158 158 VAL N N 15 117.942 0.017 . 1 . . . . . 158 VAL N . 19976 1 761 . 1 1 159 159 THR H H 1 7.899 0.000 . 1 . . . . . 159 THR H . 19976 1 762 . 1 1 159 159 THR C C 13 177.572 0.025 . 1 . . . . . 159 THR C . 19976 1 763 . 1 1 159 159 THR CA C 13 67.340 0.000 . 1 . . . . . 159 THR CA . 19976 1 764 . 1 1 159 159 THR CB C 13 68.469 0.001 . 1 . . . . . 159 THR CB . 19976 1 765 . 1 1 159 159 THR N N 15 116.679 0.028 . 1 . . . . . 159 THR N . 19976 1 766 . 1 1 160 160 SER H H 1 8.812 0.000 . 1 . . . . . 160 SER H . 19976 1 767 . 1 1 160 160 SER C C 13 174.638 0.023 . 1 . . . . . 160 SER C . 19976 1 768 . 1 1 160 160 SER CA C 13 62.660 0.000 . 1 . . . . . 160 SER CA . 19976 1 769 . 1 1 160 160 SER CB C 13 63.027 0.001 . 1 . . . . . 160 SER CB . 19976 1 770 . 1 1 160 160 SER N N 15 121.197 0.009 . 1 . . . . . 160 SER N . 19976 1 771 . 1 1 161 161 LEU H H 1 8.514 0.000 . 1 . . . . . 161 LEU H . 19976 1 772 . 1 1 161 161 LEU C C 13 178.544 0.020 . 1 . . . . . 161 LEU C . 19976 1 773 . 1 1 161 161 LEU CA C 13 58.541 0.000 . 1 . . . . . 161 LEU CA . 19976 1 774 . 1 1 161 161 LEU CB C 13 41.581 0.002 . 1 . . . . . 161 LEU CB . 19976 1 775 . 1 1 161 161 LEU N N 15 122.379 0.023 . 1 . . . . . 161 LEU N . 19976 1 776 . 1 1 162 162 ARG H H 1 8.604 0.000 . 1 . . . . . 162 ARG H . 19976 1 777 . 1 1 162 162 ARG C C 13 177.029 0.000 . 1 . . . . . 162 ARG C . 19976 1 778 . 1 1 162 162 ARG CA C 13 59.963 0.000 . 1 . . . . . 162 ARG CA . 19976 1 779 . 1 1 162 162 ARG CB C 13 30.038 0.002 . 1 . . . . . 162 ARG CB . 19976 1 780 . 1 1 162 162 ARG N N 15 118.060 0.010 . 1 . . . . . 162 ARG N . 19976 1 781 . 1 1 164 164 PHE H H 1 7.122 0.000 . 1 . . . . . 164 PHE H . 19976 1 782 . 1 1 164 164 PHE C C 13 176.151 0.000 . 1 . . . . . 164 PHE C . 19976 1 783 . 1 1 164 164 PHE CA C 13 60.583 0.000 . 1 . . . . . 164 PHE CA . 19976 1 784 . 1 1 164 164 PHE CB C 13 40.627 0.007 . 1 . . . . . 164 PHE CB . 19976 1 785 . 1 1 164 164 PHE N N 15 110.754 0.016 . 1 . . . . . 164 PHE N . 19976 1 786 . 1 1 166 166 LEU H H 1 7.891 0.000 . 1 . . . . . 166 LEU H . 19976 1 787 . 1 1 166 166 LEU C C 13 177.369 0.000 . 1 . . . . . 166 LEU C . 19976 1 788 . 1 1 166 166 LEU CA C 13 54.009 0.000 . 1 . . . . . 166 LEU CA . 19976 1 789 . 1 1 166 166 LEU CB C 13 44.916 0.003 . 1 . . . . . 166 LEU CB . 19976 1 790 . 1 1 166 166 LEU N N 15 113.548 0.013 . 1 . . . . . 166 LEU N . 19976 1 791 . 1 1 173 173 PRO C C 13 178.602 0.000 . 1 . . . . . 173 PRO C . 19976 1 792 . 1 1 173 173 PRO CA C 13 61.871 0.000 . 1 . . . . . 173 PRO CA . 19976 1 793 . 1 1 173 173 PRO CB C 13 32.651 0.000 . 1 . . . . . 173 PRO CB . 19976 1 794 . 1 1 174 174 SER H H 1 9.111 0.000 . 1 . . . . . 174 SER H . 19976 1 795 . 1 1 174 174 SER C C 13 174.800 0.002 . 1 . . . . . 174 SER C . 19976 1 796 . 1 1 174 174 SER CA C 13 62.727 0.000 . 1 . . . . . 174 SER CA . 19976 1 797 . 1 1 174 174 SER CB C 13 62.727 0.001 . 1 . . . . . 174 SER CB . 19976 1 798 . 1 1 174 174 SER N N 15 119.597 0.014 . 1 . . . . . 174 SER N . 19976 1 799 . 1 1 175 175 GLU H H 1 9.626 0.000 . 1 . . . . . 175 GLU H . 19976 1 800 . 1 1 175 175 GLU C C 13 178.298 0.007 . 1 . . . . . 175 GLU C . 19976 1 801 . 1 1 175 175 GLU CA C 13 59.424 0.000 . 1 . . . . . 175 GLU CA . 19976 1 802 . 1 1 175 175 GLU CB C 13 28.314 0.001 . 1 . . . . . 175 GLU CB . 19976 1 803 . 1 1 175 175 GLU N N 15 119.335 0.011 . 1 . . . . . 175 GLU N . 19976 1 804 . 1 1 176 176 LYS H H 1 7.193 0.000 . 1 . . . . . 176 LYS H . 19976 1 805 . 1 1 176 176 LYS C C 13 177.304 0.009 . 1 . . . . . 176 LYS C . 19976 1 806 . 1 1 176 176 LYS CA C 13 58.745 0.000 . 1 . . . . . 176 LYS CA . 19976 1 807 . 1 1 176 176 LYS CB C 13 34.693 0.003 . 1 . . . . . 176 LYS CB . 19976 1 808 . 1 1 176 176 LYS N N 15 116.734 0.011 . 1 . . . . . 176 LYS N . 19976 1 809 . 1 1 177 177 ARG H H 1 8.116 0.000 . 1 . . . . . 177 ARG H . 19976 1 810 . 1 1 177 177 ARG C C 13 178.105 0.007 . 1 . . . . . 177 ARG C . 19976 1 811 . 1 1 177 177 ARG CA C 13 60.284 0.000 . 1 . . . . . 177 ARG CA . 19976 1 812 . 1 1 177 177 ARG CB C 13 30.665 0.002 . 1 . . . . . 177 ARG CB . 19976 1 813 . 1 1 177 177 ARG N N 15 120.788 0.027 . 1 . . . . . 177 ARG N . 19976 1 814 . 1 1 178 178 GLU H H 1 8.037 0.000 . 1 . . . . . 178 GLU H . 19976 1 815 . 1 1 178 178 GLU C C 13 178.884 0.006 . 1 . . . . . 178 GLU C . 19976 1 816 . 1 1 178 178 GLU CA C 13 58.959 0.000 . 1 . . . . . 178 GLU CA . 19976 1 817 . 1 1 178 178 GLU CB C 13 29.393 0.001 . 1 . . . . . 178 GLU CB . 19976 1 818 . 1 1 178 178 GLU N N 15 114.790 0.014 . 1 . . . . . 178 GLU N . 19976 1 819 . 1 1 179 179 LEU H H 1 6.646 0.000 . 1 . . . . . 179 LEU H . 19976 1 820 . 1 1 179 179 LEU C C 13 176.987 0.000 . 1 . . . . . 179 LEU C . 19976 1 821 . 1 1 179 179 LEU CA C 13 57.129 0.000 . 1 . . . . . 179 LEU CA . 19976 1 822 . 1 1 179 179 LEU CB C 13 41.279 0.001 . 1 . . . . . 179 LEU CB . 19976 1 823 . 1 1 179 179 LEU N N 15 119.373 0.013 . 1 . . . . . 179 LEU N . 19976 1 824 . 1 1 180 180 LEU H H 1 6.778 0.000 . 1 . . . . . 180 LEU H . 19976 1 825 . 1 1 180 180 LEU C C 13 177.903 0.006 . 1 . . . . . 180 LEU C . 19976 1 826 . 1 1 180 180 LEU CA C 13 58.398 0.000 . 1 . . . . . 180 LEU CA . 19976 1 827 . 1 1 180 180 LEU CB C 13 42.339 0.001 . 1 . . . . . 180 LEU CB . 19976 1 828 . 1 1 180 180 LEU N N 15 118.031 0.006 . 1 . . . . . 180 LEU N . 19976 1 829 . 1 1 181 181 ILE H H 1 8.274 0.000 . 1 . . . . . 181 ILE H . 19976 1 830 . 1 1 181 181 ILE C C 13 177.137 0.012 . 1 . . . . . 181 ILE C . 19976 1 831 . 1 1 181 181 ILE CA C 13 64.750 0.000 . 1 . . . . . 181 ILE CA . 19976 1 832 . 1 1 181 181 ILE CB C 13 37.720 0.001 . 1 . . . . . 181 ILE CB . 19976 1 833 . 1 1 181 181 ILE N N 15 115.719 0.024 . 1 . . . . . 181 ILE N . 19976 1 834 . 1 1 182 182 ASP H H 1 7.795 0.000 . 1 . . . . . 182 ASP H . 19976 1 835 . 1 1 182 182 ASP C C 13 178.183 0.002 . 1 . . . . . 182 ASP C . 19976 1 836 . 1 1 182 182 ASP CA C 13 58.027 0.000 . 1 . . . . . 182 ASP CA . 19976 1 837 . 1 1 182 182 ASP CB C 13 41.706 0.001 . 1 . . . . . 182 ASP CB . 19976 1 838 . 1 1 182 182 ASP N N 15 120.385 0.015 . 1 . . . . . 182 ASP N . 19976 1 839 . 1 1 183 183 TRP H H 1 7.864 0.000 . 1 . . . . . 183 TRP H . 19976 1 840 . 1 1 183 183 TRP C C 13 177.792 0.009 . 1 . . . . . 183 TRP C . 19976 1 841 . 1 1 183 183 TRP CA C 13 61.606 0.000 . 1 . . . . . 183 TRP CA . 19976 1 842 . 1 1 183 183 TRP CB C 13 29.918 0.001 . 1 . . . . . 183 TRP CB . 19976 1 843 . 1 1 183 183 TRP N N 15 116.999 0.016 . 1 . . . . . 183 TRP N . 19976 1 844 . 1 1 184 184 MET H H 1 7.841 0.000 . 1 . . . . . 184 MET H . 19976 1 845 . 1 1 184 184 MET C C 13 181.964 0.009 . 1 . . . . . 184 MET C . 19976 1 846 . 1 1 184 184 MET CA C 13 58.969 0.000 . 1 . . . . . 184 MET CA . 19976 1 847 . 1 1 184 184 MET CB C 13 35.625 0.002 . 1 . . . . . 184 MET CB . 19976 1 848 . 1 1 184 184 MET N N 15 113.565 0.018 . 1 . . . . . 184 MET N . 19976 1 849 . 1 1 185 185 LYS H H 1 9.449 0.000 . 1 . . . . . 185 LYS H . 19976 1 850 . 1 1 185 185 LYS C C 13 179.280 0.007 . 1 . . . . . 185 LYS C . 19976 1 851 . 1 1 185 185 LYS CA C 13 60.141 0.000 . 1 . . . . . 185 LYS CA . 19976 1 852 . 1 1 185 185 LYS CB C 13 33.427 0.001 . 1 . . . . . 185 LYS CB . 19976 1 853 . 1 1 185 185 LYS N N 15 124.508 0.015 . 1 . . . . . 185 LYS N . 19976 1 854 . 1 1 186 186 ARG H H 1 7.473 0.000 . 1 . . . . . 186 ARG H . 19976 1 855 . 1 1 186 186 ARG C C 13 175.772 0.001 . 1 . . . . . 186 ARG C . 19976 1 856 . 1 1 186 186 ARG CA C 13 55.529 0.000 . 1 . . . . . 186 ARG CA . 19976 1 857 . 1 1 186 186 ARG CB C 13 29.121 0.002 . 1 . . . . . 186 ARG CB . 19976 1 858 . 1 1 186 186 ARG N N 15 117.089 0.020 . 1 . . . . . 186 ARG N . 19976 1 859 . 1 1 187 187 ASN H H 1 7.185 0.000 . 1 . . . . . 187 ASN H . 19976 1 860 . 1 1 187 187 ASN C C 13 176.817 0.003 . 1 . . . . . 187 ASN C . 19976 1 861 . 1 1 187 187 ASN CA C 13 55.507 0.000 . 1 . . . . . 187 ASN CA . 19976 1 862 . 1 1 187 187 ASN CB C 13 39.753 0.001 . 1 . . . . . 187 ASN CB . 19976 1 863 . 1 1 187 187 ASN N N 15 119.767 0.023 . 1 . . . . . 187 ASN N . 19976 1 864 . 1 1 188 188 THR H H 1 8.401 0.000 . 1 . . . . . 188 THR H . 19976 1 865 . 1 1 188 188 THR C C 13 177.831 0.014 . 1 . . . . . 188 THR C . 19976 1 866 . 1 1 188 188 THR CA C 13 62.867 0.000 . 1 . . . . . 188 THR CA . 19976 1 867 . 1 1 188 188 THR CB C 13 70.799 0.002 . 1 . . . . . 188 THR CB . 19976 1 868 . 1 1 188 188 THR N N 15 118.128 0.027 . 1 . . . . . 188 THR N . 19976 1 869 . 1 1 189 189 THR H H 1 7.418 0.000 . 1 . . . . . 189 THR H . 19976 1 870 . 1 1 189 189 THR C C 13 176.125 0.002 . 1 . . . . . 189 THR C . 19976 1 871 . 1 1 189 189 THR CA C 13 63.007 0.000 . 1 . . . . . 189 THR CA . 19976 1 872 . 1 1 189 189 THR CB C 13 69.775 0.002 . 1 . . . . . 189 THR CB . 19976 1 873 . 1 1 189 189 THR N N 15 111.004 0.016 . 1 . . . . . 189 THR N . 19976 1 874 . 1 1 190 190 GLY H H 1 8.924 0.000 . 1 . . . . . 190 GLY H . 19976 1 875 . 1 1 190 190 GLY C C 13 176.704 0.014 . 1 . . . . . 190 GLY C . 19976 1 876 . 1 1 190 190 GLY CA C 13 46.045 0.002 . 1 . . . . . 190 GLY CA . 19976 1 877 . 1 1 190 190 GLY N N 15 112.998 0.007 . 1 . . . . . 190 GLY N . 19976 1 878 . 1 1 191 191 ASP H H 1 8.738 0.000 . 1 . . . . . 191 ASP H . 19976 1 879 . 1 1 191 191 ASP C C 13 175.993 0.005 . 1 . . . . . 191 ASP C . 19976 1 880 . 1 1 191 191 ASP CA C 13 58.417 0.000 . 1 . . . . . 191 ASP CA . 19976 1 881 . 1 1 191 191 ASP CB C 13 39.700 0.002 . 1 . . . . . 191 ASP CB . 19976 1 882 . 1 1 191 191 ASP N N 15 124.536 0.017 . 1 . . . . . 191 ASP N . 19976 1 883 . 1 1 192 192 ALA H H 1 8.271 0.000 . 1 . . . . . 192 ALA H . 19976 1 884 . 1 1 192 192 ALA C C 13 176.161 0.005 . 1 . . . . . 192 ALA C . 19976 1 885 . 1 1 192 192 ALA CA C 13 51.747 0.000 . 1 . . . . . 192 ALA CA . 19976 1 886 . 1 1 192 192 ALA CB C 13 19.512 0.001 . 1 . . . . . 192 ALA CB . 19976 1 887 . 1 1 192 192 ALA N N 15 117.981 0.016 . 1 . . . . . 192 ALA N . 19976 1 888 . 1 1 193 193 LEU H H 1 6.756 0.000 . 1 . . . . . 193 LEU H . 19976 1 889 . 1 1 193 193 LEU C C 13 175.592 0.007 . 1 . . . . . 193 LEU C . 19976 1 890 . 1 1 193 193 LEU CA C 13 54.311 0.000 . 1 . . . . . 193 LEU CA . 19976 1 891 . 1 1 193 193 LEU CB C 13 41.309 0.001 . 1 . . . . . 193 LEU CB . 19976 1 892 . 1 1 193 193 LEU N N 15 119.079 0.010 . 1 . . . . . 193 LEU N . 19976 1 893 . 1 1 194 194 ILE H H 1 7.899 0.000 . 1 . . . . . 194 ILE H . 19976 1 894 . 1 1 194 194 ILE C C 13 175.377 0.026 . 1 . . . . . 194 ILE C . 19976 1 895 . 1 1 194 194 ILE CA C 13 65.593 0.000 . 1 . . . . . 194 ILE CA . 19976 1 896 . 1 1 194 194 ILE CB C 13 37.464 0.005 . 1 . . . . . 194 ILE CB . 19976 1 897 . 1 1 194 194 ILE N N 15 127.493 0.009 . 1 . . . . . 194 ILE N . 19976 1 898 . 1 1 195 195 ARG H H 1 8.999 0.000 . 1 . . . . . 195 ARG H . 19976 1 899 . 1 1 195 195 ARG C C 13 176.921 0.052 . 1 . . . . . 195 ARG C . 19976 1 900 . 1 1 195 195 ARG CA C 13 59.829 0.000 . 1 . . . . . 195 ARG CA . 19976 1 901 . 1 1 195 195 ARG CB C 13 30.722 0.001 . 1 . . . . . 195 ARG CB . 19976 1 902 . 1 1 195 195 ARG N N 15 116.981 0.007 . 1 . . . . . 195 ARG N . 19976 1 903 . 1 1 196 196 ALA H H 1 7.089 0.001 . 1 . . . . . 196 ALA H . 19976 1 904 . 1 1 196 196 ALA C C 13 178.349 0.003 . 1 . . . . . 196 ALA C . 19976 1 905 . 1 1 196 196 ALA CA C 13 52.643 0.006 . 1 . . . . . 196 ALA CA . 19976 1 906 . 1 1 196 196 ALA CB C 13 17.928 0.003 . 1 . . . . . 196 ALA CB . 19976 1 907 . 1 1 196 196 ALA N N 15 118.742 0.010 . 1 . . . . . 196 ALA N . 19976 1 908 . 1 1 197 197 GLY H H 1 8.237 0.000 . 1 . . . . . 197 GLY H . 19976 1 909 . 1 1 197 197 GLY C C 13 172.164 0.015 . 1 . . . . . 197 GLY C . 19976 1 910 . 1 1 197 197 GLY CA C 13 44.914 0.002 . 1 . . . . . 197 GLY CA . 19976 1 911 . 1 1 197 197 GLY N N 15 106.730 0.014 . 1 . . . . . 197 GLY N . 19976 1 912 . 1 1 198 198 VAL H H 1 6.613 0.000 . 1 . . . . . 198 VAL H . 19976 1 913 . 1 1 198 198 VAL C C 13 172.812 0.000 . 1 . . . . . 198 VAL C . 19976 1 914 . 1 1 198 198 VAL CA C 13 58.202 0.000 . 1 . . . . . 198 VAL CA . 19976 1 915 . 1 1 198 198 VAL CB C 13 31.877 0.003 . 1 . . . . . 198 VAL CB . 19976 1 916 . 1 1 198 198 VAL N N 15 113.590 0.027 . 1 . . . . . 198 VAL N . 19976 1 917 . 1 1 199 199 PRO C C 13 175.454 0.000 . 1 . . . . . 199 PRO C . 19976 1 918 . 1 1 199 199 PRO CA C 13 62.188 0.000 . 1 . . . . . 199 PRO CA . 19976 1 919 . 1 1 199 199 PRO CB C 13 31.249 0.000 . 1 . . . . . 199 PRO CB . 19976 1 920 . 1 1 200 200 ASP H H 1 7.958 0.015 . 1 . . . . . 200 ASP H . 19976 1 921 . 1 1 200 200 ASP C C 13 177.576 0.001 . 1 . . . . . 200 ASP C . 19976 1 922 . 1 1 200 200 ASP CA C 13 55.728 0.030 . 1 . . . . . 200 ASP CA . 19976 1 923 . 1 1 200 200 ASP CB C 13 41.100 0.000 . 1 . . . . . 200 ASP CB . 19976 1 924 . 1 1 200 200 ASP N N 15 120.625 0.006 . 1 . . . . . 200 ASP N . 19976 1 925 . 1 1 201 201 GLY H H 1 8.704 0.022 . 1 . . . . . 201 GLY H . 19976 1 926 . 1 1 201 201 GLY C C 13 174.897 0.016 . 1 . . . . . 201 GLY C . 19976 1 927 . 1 1 201 201 GLY CA C 13 45.372 0.003 . 1 . . . . . 201 GLY CA . 19976 1 928 . 1 1 201 201 GLY N N 15 112.030 0.017 . 1 . . . . . 201 GLY N . 19976 1 929 . 1 1 202 202 TRP H H 1 7.790 0.000 . 1 . . . . . 202 TRP H . 19976 1 930 . 1 1 202 202 TRP C C 13 175.950 0.002 . 1 . . . . . 202 TRP C . 19976 1 931 . 1 1 202 202 TRP CA C 13 57.431 0.000 . 1 . . . . . 202 TRP CA . 19976 1 932 . 1 1 202 202 TRP CB C 13 28.013 0.003 . 1 . . . . . 202 TRP CB . 19976 1 933 . 1 1 202 202 TRP N N 15 123.619 0.009 . 1 . . . . . 202 TRP N . 19976 1 934 . 1 1 203 203 GLU H H 1 8.535 0.000 . 1 . . . . . 203 GLU H . 19976 1 935 . 1 1 203 203 GLU C C 13 175.897 0.025 . 1 . . . . . 203 GLU C . 19976 1 936 . 1 1 203 203 GLU CA C 13 56.962 0.000 . 1 . . . . . 203 GLU CA . 19976 1 937 . 1 1 203 203 GLU CB C 13 32.510 0.005 . 1 . . . . . 203 GLU CB . 19976 1 938 . 1 1 203 203 GLU N N 15 123.724 0.019 . 1 . . . . . 203 GLU N . 19976 1 939 . 1 1 204 204 VAL H H 1 8.614 0.000 . 1 . . . . . 204 VAL H . 19976 1 940 . 1 1 204 204 VAL C C 13 173.705 0.012 . 1 . . . . . 204 VAL C . 19976 1 941 . 1 1 204 204 VAL CA C 13 61.344 0.000 . 1 . . . . . 204 VAL CA . 19976 1 942 . 1 1 204 204 VAL CB C 13 36.186 0.004 . 1 . . . . . 204 VAL CB . 19976 1 943 . 1 1 204 204 VAL N N 15 122.154 0.015 . 1 . . . . . 204 VAL N . 19976 1 944 . 1 1 205 205 ALA H H 1 9.409 0.000 . 1 . . . . . 205 ALA H . 19976 1 945 . 1 1 205 205 ALA C C 13 175.739 0.004 . 1 . . . . . 205 ALA C . 19976 1 946 . 1 1 205 205 ALA CA C 13 49.767 0.000 . 1 . . . . . 205 ALA CA . 19976 1 947 . 1 1 205 205 ALA CB C 13 21.915 0.002 . 1 . . . . . 205 ALA CB . 19976 1 948 . 1 1 205 205 ALA N N 15 130.047 0.019 . 1 . . . . . 205 ALA N . 19976 1 949 . 1 1 206 206 ASP H H 1 8.132 0.000 . 1 . . . . . 206 ASP H . 19976 1 950 . 1 1 206 206 ASP C C 13 172.005 0.005 . 1 . . . . . 206 ASP C . 19976 1 951 . 1 1 206 206 ASP CA C 13 53.009 0.000 . 1 . . . . . 206 ASP CA . 19976 1 952 . 1 1 206 206 ASP CB C 13 45.416 0.001 . 1 . . . . . 206 ASP CB . 19976 1 953 . 1 1 206 206 ASP N N 15 122.113 0.025 . 1 . . . . . 206 ASP N . 19976 1 954 . 1 1 207 207 LYS H H 1 8.628 0.002 . 1 . . . . . 207 LYS H . 19976 1 955 . 1 1 207 207 LYS C C 13 173.628 0.015 . 1 . . . . . 207 LYS C . 19976 1 956 . 1 1 207 207 LYS CA C 13 55.711 0.015 . 1 . . . . . 207 LYS CA . 19976 1 957 . 1 1 207 207 LYS CB C 13 34.259 0.001 . 1 . . . . . 207 LYS CB . 19976 1 958 . 1 1 207 207 LYS N N 15 116.615 0.009 . 1 . . . . . 207 LYS N . 19976 1 959 . 1 1 208 208 THR H H 1 6.093 0.000 . 1 . . . . . 208 THR H . 19976 1 960 . 1 1 208 208 THR C C 13 176.589 0.000 . 1 . . . . . 208 THR C . 19976 1 961 . 1 1 208 208 THR CA C 13 61.053 0.030 . 1 . . . . . 208 THR CA . 19976 1 962 . 1 1 208 208 THR CB C 13 72.060 0.001 . 1 . . . . . 208 THR CB . 19976 1 963 . 1 1 208 208 THR N N 15 114.316 0.009 . 1 . . . . . 208 THR N . 19976 1 964 . 1 1 209 209 GLY H H 1 8.554 0.000 . 1 . . . . . 209 GLY H . 19976 1 965 . 1 1 209 209 GLY C C 13 171.291 0.000 . 1 . . . . . 209 GLY C . 19976 1 966 . 1 1 209 209 GLY CA C 13 47.350 0.002 . 1 . . . . . 209 GLY CA . 19976 1 967 . 1 1 209 209 GLY N N 15 103.969 0.016 . 1 . . . . . 209 GLY N . 19976 1 968 . 1 1 211 211 ALA H H 1 8.849 0.000 . 1 . . . . . 211 ALA H . 19976 1 969 . 1 1 211 211 ALA C C 13 176.472 0.005 . 1 . . . . . 211 ALA C . 19976 1 970 . 1 1 211 211 ALA CA C 13 51.283 0.000 . 1 . . . . . 211 ALA CA . 19976 1 971 . 1 1 211 211 ALA CB C 13 22.106 0.001 . 1 . . . . . 211 ALA CB . 19976 1 972 . 1 1 211 211 ALA N N 15 124.401 0.008 . 1 . . . . . 211 ALA N . 19976 1 973 . 1 1 212 212 SER H H 1 7.935 0.000 . 1 . . . . . 212 SER H . 19976 1 974 . 1 1 212 212 SER C C 13 173.755 0.004 . 1 . . . . . 212 SER C . 19976 1 975 . 1 1 212 212 SER CA C 13 59.616 0.000 . 1 . . . . . 212 SER CA . 19976 1 976 . 1 1 212 212 SER CB C 13 63.981 0.002 . 1 . . . . . 212 SER CB . 19976 1 977 . 1 1 212 212 SER N N 15 113.977 0.018 . 1 . . . . . 212 SER N . 19976 1 978 . 1 1 213 213 TYR H H 1 8.793 0.000 . 1 . . . . . 213 TYR H . 19976 1 979 . 1 1 213 213 TYR C C 13 175.888 0.057 . 1 . . . . . 213 TYR C . 19976 1 980 . 1 1 213 213 TYR CA C 13 59.299 0.000 . 1 . . . . . 213 TYR CA . 19976 1 981 . 1 1 213 213 TYR CB C 13 36.229 0.002 . 1 . . . . . 213 TYR CB . 19976 1 982 . 1 1 213 213 TYR N N 15 115.779 0.017 . 1 . . . . . 213 TYR N . 19976 1 983 . 1 1 214 214 GLY H H 1 8.901 0.000 . 1 . . . . . 214 GLY H . 19976 1 984 . 1 1 214 214 GLY C C 13 173.330 0.004 . 1 . . . . . 214 GLY C . 19976 1 985 . 1 1 214 214 GLY CA C 13 48.061 0.001 . 1 . . . . . 214 GLY CA . 19976 1 986 . 1 1 214 214 GLY N N 15 105.539 0.014 . 1 . . . . . 214 GLY N . 19976 1 987 . 1 1 215 215 THR H H 1 7.305 0.000 . 1 . . . . . 215 THR H . 19976 1 988 . 1 1 215 215 THR C C 13 174.426 0.013 . 1 . . . . . 215 THR C . 19976 1 989 . 1 1 215 215 THR CA C 13 63.402 0.000 . 1 . . . . . 215 THR CA . 19976 1 990 . 1 1 215 215 THR CB C 13 69.566 0.001 . 1 . . . . . 215 THR CB . 19976 1 991 . 1 1 215 215 THR N N 15 117.519 0.011 . 1 . . . . . 215 THR N . 19976 1 992 . 1 1 216 216 ARG H H 1 7.958 0.000 . 1 . . . . . 216 ARG H . 19976 1 993 . 1 1 216 216 ARG C C 13 172.611 0.002 . 1 . . . . . 216 ARG C . 19976 1 994 . 1 1 216 216 ARG CA C 13 53.688 0.000 . 1 . . . . . 216 ARG CA . 19976 1 995 . 1 1 216 216 ARG CB C 13 32.732 0.001 . 1 . . . . . 216 ARG CB . 19976 1 996 . 1 1 216 216 ARG N N 15 128.048 0.009 . 1 . . . . . 216 ARG N . 19976 1 997 . 1 1 217 217 ASN H H 1 8.273 0.000 . 1 . . . . . 217 ASN H . 19976 1 998 . 1 1 217 217 ASN C C 13 175.265 0.001 . 1 . . . . . 217 ASN C . 19976 1 999 . 1 1 217 217 ASN CA C 13 50.483 0.000 . 1 . . . . . 217 ASN CA . 19976 1 1000 . 1 1 217 217 ASN CB C 13 45.745 0.005 . 1 . . . . . 217 ASN CB . 19976 1 1001 . 1 1 217 217 ASN N N 15 123.018 0.009 . 1 . . . . . 217 ASN N . 19976 1 1002 . 1 1 218 218 ASP H H 1 9.164 0.000 . 1 . . . . . 218 ASP H . 19976 1 1003 . 1 1 218 218 ASP C C 13 173.044 0.003 . 1 . . . . . 218 ASP C . 19976 1 1004 . 1 1 218 218 ASP CA C 13 53.765 0.000 . 1 . . . . . 218 ASP CA . 19976 1 1005 . 1 1 218 218 ASP CB C 13 43.675 0.001 . 1 . . . . . 218 ASP CB . 19976 1 1006 . 1 1 218 218 ASP N N 15 119.278 0.014 . 1 . . . . . 218 ASP N . 19976 1 1007 . 1 1 219 219 ILE H H 1 8.018 0.000 . 1 . . . . . 219 ILE H . 19976 1 1008 . 1 1 219 219 ILE C C 13 174.011 0.000 . 1 . . . . . 219 ILE C . 19976 1 1009 . 1 1 219 219 ILE CA C 13 58.545 0.000 . 1 . . . . . 219 ILE CA . 19976 1 1010 . 1 1 219 219 ILE CB C 13 40.533 0.001 . 1 . . . . . 219 ILE CB . 19976 1 1011 . 1 1 219 219 ILE N N 15 119.249 0.026 . 1 . . . . . 219 ILE N . 19976 1 1012 . 1 1 220 220 ALA H H 1 9.596 0.000 . 1 . . . . . 220 ALA H . 19976 1 1013 . 1 1 220 220 ALA C C 13 174.955 0.007 . 1 . . . . . 220 ALA C . 19976 1 1014 . 1 1 220 220 ALA CA C 13 51.101 0.000 . 1 . . . . . 220 ALA CA . 19976 1 1015 . 1 1 220 220 ALA CB C 13 26.425 0.002 . 1 . . . . . 220 ALA CB . 19976 1 1016 . 1 1 220 220 ALA N N 15 123.996 0.010 . 1 . . . . . 220 ALA N . 19976 1 1017 . 1 1 221 221 ILE H H 1 8.799 0.000 . 1 . . . . . 221 ILE H . 19976 1 1018 . 1 1 221 221 ILE C C 13 173.925 0.013 . 1 . . . . . 221 ILE C . 19976 1 1019 . 1 1 221 221 ILE CA C 13 60.427 0.000 . 1 . . . . . 221 ILE CA . 19976 1 1020 . 1 1 221 221 ILE CB C 13 40.173 0.001 . 1 . . . . . 221 ILE CB . 19976 1 1021 . 1 1 221 221 ILE N N 15 118.790 0.013 . 1 . . . . . 221 ILE N . 19976 1 1022 . 1 1 222 222 ILE H H 1 9.056 0.000 . 1 . . . . . 222 ILE H . 19976 1 1023 . 1 1 222 222 ILE C C 13 174.750 0.006 . 1 . . . . . 222 ILE C . 19976 1 1024 . 1 1 222 222 ILE CA C 13 59.319 0.000 . 1 . . . . . 222 ILE CA . 19976 1 1025 . 1 1 222 222 ILE CB C 13 42.337 0.001 . 1 . . . . . 222 ILE CB . 19976 1 1026 . 1 1 222 222 ILE N N 15 125.415 0.032 . 1 . . . . . 222 ILE N . 19976 1 1027 . 1 1 223 223 TRP H H 1 9.505 0.000 . 1 . . . . . 223 TRP H . 19976 1 1028 . 1 1 223 223 TRP C C 13 173.695 0.000 . 1 . . . . . 223 TRP C . 19976 1 1029 . 1 1 223 223 TRP CA C 13 56.532 0.000 . 1 . . . . . 223 TRP CA . 19976 1 1030 . 1 1 223 223 TRP CB C 13 30.819 0.003 . 1 . . . . . 223 TRP CB . 19976 1 1031 . 1 1 223 223 TRP N N 15 127.851 0.015 . 1 . . . . . 223 TRP N . 19976 1 1032 . 1 1 225 225 PRO C C 13 177.291 0.000 . 1 . . . . . 225 PRO C . 19976 1 1033 . 1 1 225 225 PRO CA C 13 64.294 0.000 . 1 . . . . . 225 PRO CA . 19976 1 1034 . 1 1 225 225 PRO CB C 13 31.230 0.000 . 1 . . . . . 225 PRO CB . 19976 1 1035 . 1 1 226 226 LYS H H 1 7.836 0.000 . 1 . . . . . 226 LYS H . 19976 1 1036 . 1 1 226 226 LYS C C 13 175.534 0.000 . 1 . . . . . 226 LYS C . 19976 1 1037 . 1 1 226 226 LYS CA C 13 56.154 0.000 . 1 . . . . . 226 LYS CA . 19976 1 1038 . 1 1 226 226 LYS CB C 13 32.417 0.003 . 1 . . . . . 226 LYS CB . 19976 1 1039 . 1 1 226 226 LYS N N 15 116.836 0.022 . 1 . . . . . 226 LYS N . 19976 1 1040 . 1 1 227 227 GLY H H 1 7.915 0.000 . 1 . . . . . 227 GLY H . 19976 1 1041 . 1 1 227 227 GLY C C 13 172.883 0.014 . 1 . . . . . 227 GLY C . 19976 1 1042 . 1 1 227 227 GLY CA C 13 43.914 0.006 . 1 . . . . . 227 GLY CA . 19976 1 1043 . 1 1 227 227 GLY N N 15 109.043 0.082 . 1 . . . . . 227 GLY N . 19976 1 1044 . 1 1 228 228 ASP H H 1 7.953 0.000 . 1 . . . . . 228 ASP H . 19976 1 1045 . 1 1 228 228 ASP C C 13 174.274 0.000 . 1 . . . . . 228 ASP C . 19976 1 1046 . 1 1 228 228 ASP CA C 13 52.946 0.000 . 1 . . . . . 228 ASP CA . 19976 1 1047 . 1 1 228 228 ASP CB C 13 41.370 0.004 . 1 . . . . . 228 ASP CB . 19976 1 1048 . 1 1 228 228 ASP N N 15 120.297 0.028 . 1 . . . . . 228 ASP N . 19976 1 1049 . 1 1 229 229 PRO C C 13 176.917 0.000 . 1 . . . . . 229 PRO C . 19976 1 1050 . 1 1 229 229 PRO CA C 13 62.353 0.000 . 1 . . . . . 229 PRO CA . 19976 1 1051 . 1 1 229 229 PRO CB C 13 32.198 0.000 . 1 . . . . . 229 PRO CB . 19976 1 1052 . 1 1 230 230 VAL H H 1 9.092 0.000 . 1 . . . . . 230 VAL H . 19976 1 1053 . 1 1 230 230 VAL C C 13 174.495 0.007 . 1 . . . . . 230 VAL C . 19976 1 1054 . 1 1 230 230 VAL CA C 13 59.951 0.000 . 1 . . . . . 230 VAL CA . 19976 1 1055 . 1 1 230 230 VAL CB C 13 34.692 0.002 . 1 . . . . . 230 VAL CB . 19976 1 1056 . 1 1 230 230 VAL N N 15 123.105 0.014 . 1 . . . . . 230 VAL N . 19976 1 1057 . 1 1 231 231 VAL H H 1 8.770 0.000 . 1 . . . . . 231 VAL H . 19976 1 1058 . 1 1 231 231 VAL C C 13 173.789 0.013 . 1 . . . . . 231 VAL C . 19976 1 1059 . 1 1 231 231 VAL CA C 13 60.376 0.000 . 1 . . . . . 231 VAL CA . 19976 1 1060 . 1 1 231 231 VAL CB C 13 32.344 0.003 . 1 . . . . . 231 VAL CB . 19976 1 1061 . 1 1 231 231 VAL N N 15 126.852 0.009 . 1 . . . . . 231 VAL N . 19976 1 1062 . 1 1 232 232 LEU H H 1 9.272 0.000 . 1 . . . . . 232 LEU H . 19976 1 1063 . 1 1 232 232 LEU C C 13 172.676 0.004 . 1 . . . . . 232 LEU C . 19976 1 1064 . 1 1 232 232 LEU CA C 13 54.324 0.000 . 1 . . . . . 232 LEU CA . 19976 1 1065 . 1 1 232 232 LEU CB C 13 47.253 0.003 . 1 . . . . . 232 LEU CB . 19976 1 1066 . 1 1 232 232 LEU N N 15 128.444 0.012 . 1 . . . . . 232 LEU N . 19976 1 1067 . 1 1 233 233 ALA H H 1 8.729 0.000 . 1 . . . . . 233 ALA H . 19976 1 1068 . 1 1 233 233 ALA C C 13 174.342 0.005 . 1 . . . . . 233 ALA C . 19976 1 1069 . 1 1 233 233 ALA CA C 13 51.066 0.000 . 1 . . . . . 233 ALA CA . 19976 1 1070 . 1 1 233 233 ALA CB C 13 23.208 0.001 . 1 . . . . . 233 ALA CB . 19976 1 1071 . 1 1 233 233 ALA N N 15 125.397 0.019 . 1 . . . . . 233 ALA N . 19976 1 1072 . 1 1 234 234 VAL H H 1 8.403 0.000 . 1 . . . . . 234 VAL H . 19976 1 1073 . 1 1 234 234 VAL C C 13 172.463 0.011 . 1 . . . . . 234 VAL C . 19976 1 1074 . 1 1 234 234 VAL CA C 13 61.737 0.000 . 1 . . . . . 234 VAL CA . 19976 1 1075 . 1 1 234 234 VAL CB C 13 32.816 0.001 . 1 . . . . . 234 VAL CB . 19976 1 1076 . 1 1 234 234 VAL N N 15 120.565 0.016 . 1 . . . . . 234 VAL N . 19976 1 1077 . 1 1 235 235 LEU H H 1 9.280 0.000 . 1 . . . . . 235 LEU H . 19976 1 1078 . 1 1 235 235 LEU C C 13 175.482 0.004 . 1 . . . . . 235 LEU C . 19976 1 1079 . 1 1 235 235 LEU CA C 13 51.665 0.000 . 1 . . . . . 235 LEU CA . 19976 1 1080 . 1 1 235 235 LEU CB C 13 41.406 0.003 . 1 . . . . . 235 LEU CB . 19976 1 1081 . 1 1 235 235 LEU N N 15 127.831 0.014 . 1 . . . . . 235 LEU N . 19976 1 1082 . 1 1 236 236 SER H H 1 7.660 0.000 . 1 . . . . . 236 SER H . 19976 1 1083 . 1 1 236 236 SER C C 13 173.235 0.004 . 1 . . . . . 236 SER C . 19976 1 1084 . 1 1 236 236 SER CA C 13 57.731 0.000 . 1 . . . . . 236 SER CA . 19976 1 1085 . 1 1 236 236 SER CB C 13 68.693 0.001 . 1 . . . . . 236 SER CB . 19976 1 1086 . 1 1 236 236 SER N N 15 113.179 0.023 . 1 . . . . . 236 SER N . 19976 1 1087 . 1 1 237 237 SER H H 1 8.916 0.000 . 1 . . . . . 237 SER H . 19976 1 1088 . 1 1 237 237 SER C C 13 172.393 0.012 . 1 . . . . . 237 SER C . 19976 1 1089 . 1 1 237 237 SER CA C 13 58.622 0.000 . 1 . . . . . 237 SER CA . 19976 1 1090 . 1 1 237 237 SER CB C 13 66.523 0.002 . 1 . . . . . 237 SER CB . 19976 1 1091 . 1 1 237 237 SER N N 15 112.256 0.018 . 1 . . . . . 237 SER N . 19976 1 1092 . 1 1 238 238 ARG H H 1 9.139 0.000 . 1 . . . . . 238 ARG H . 19976 1 1093 . 1 1 238 238 ARG C C 13 176.368 0.001 . 1 . . . . . 238 ARG C . 19976 1 1094 . 1 1 238 238 ARG CA C 13 55.394 0.000 . 1 . . . . . 238 ARG CA . 19976 1 1095 . 1 1 238 238 ARG CB C 13 32.447 0.005 . 1 . . . . . 238 ARG CB . 19976 1 1096 . 1 1 238 238 ARG N N 15 118.711 0.027 . 1 . . . . . 238 ARG N . 19976 1 1097 . 1 1 239 239 ASP H H 1 8.350 0.000 . 1 . . . . . 239 ASP H . 19976 1 1098 . 1 1 239 239 ASP C C 13 176.421 0.030 . 1 . . . . . 239 ASP C . 19976 1 1099 . 1 1 239 239 ASP CA C 13 55.534 0.000 . 1 . . . . . 239 ASP CA . 19976 1 1100 . 1 1 239 239 ASP CB C 13 41.785 0.001 . 1 . . . . . 239 ASP CB . 19976 1 1101 . 1 1 239 239 ASP N N 15 116.511 0.011 . 1 . . . . . 239 ASP N . 19976 1 1102 . 1 1 240 240 LYS H H 1 7.089 0.000 . 1 . . . . . 240 LYS H . 19976 1 1103 . 1 1 240 240 LYS C C 13 177.209 0.001 . 1 . . . . . 240 LYS C . 19976 1 1104 . 1 1 240 240 LYS CA C 13 54.514 0.000 . 1 . . . . . 240 LYS CA . 19976 1 1105 . 1 1 240 240 LYS CB C 13 35.191 0.002 . 1 . . . . . 240 LYS CB . 19976 1 1106 . 1 1 240 240 LYS N N 15 117.519 0.013 . 1 . . . . . 240 LYS N . 19976 1 1107 . 1 1 241 241 LYS H H 1 8.558 0.000 . 1 . . . . . 241 LYS H . 19976 1 1108 . 1 1 241 241 LYS C C 13 177.257 0.000 . 1 . . . . . 241 LYS C . 19976 1 1109 . 1 1 241 241 LYS CA C 13 59.404 0.000 . 1 . . . . . 241 LYS CA . 19976 1 1110 . 1 1 241 241 LYS CB C 13 32.847 0.002 . 1 . . . . . 241 LYS CB . 19976 1 1111 . 1 1 241 241 LYS N N 15 126.402 0.017 . 1 . . . . . 241 LYS N . 19976 1 1112 . 1 1 243 243 ALA H H 1 7.184 0.000 . 1 . . . . . 243 ALA H . 19976 1 1113 . 1 1 243 243 ALA C C 13 177.389 0.007 . 1 . . . . . 243 ALA C . 19976 1 1114 . 1 1 243 243 ALA CA C 13 52.713 0.000 . 1 . . . . . 243 ALA CA . 19976 1 1115 . 1 1 243 243 ALA CB C 13 20.579 0.001 . 1 . . . . . 243 ALA CB . 19976 1 1116 . 1 1 243 243 ALA N N 15 122.489 0.017 . 1 . . . . . 243 ALA N . 19976 1 1117 . 1 1 244 244 LYS H H 1 8.317 0.000 . 1 . . . . . 244 LYS H . 19976 1 1118 . 1 1 244 244 LYS C C 13 176.487 0.000 . 1 . . . . . 244 LYS C . 19976 1 1119 . 1 1 244 244 LYS CA C 13 54.996 0.000 . 1 . . . . . 244 LYS CA . 19976 1 1120 . 1 1 244 244 LYS CB C 13 33.168 0.002 . 1 . . . . . 244 LYS CB . 19976 1 1121 . 1 1 244 244 LYS N N 15 121.004 0.014 . 1 . . . . . 244 LYS N . 19976 1 1122 . 1 1 245 245 TYR H H 1 7.041 0.000 . 1 . . . . . 245 TYR H . 19976 1 1123 . 1 1 245 245 TYR C C 13 174.206 0.005 . 1 . . . . . 245 TYR C . 19976 1 1124 . 1 1 245 245 TYR CA C 13 55.064 0.000 . 1 . . . . . 245 TYR CA . 19976 1 1125 . 1 1 245 245 TYR CB C 13 41.191 0.003 . 1 . . . . . 245 TYR CB . 19976 1 1126 . 1 1 245 245 TYR N N 15 117.433 0.017 . 1 . . . . . 245 TYR N . 19976 1 1127 . 1 1 246 246 ASP H H 1 9.149 0.000 . 1 . . . . . 246 ASP H . 19976 1 1128 . 1 1 246 246 ASP C C 13 177.011 0.002 . 1 . . . . . 246 ASP C . 19976 1 1129 . 1 1 246 246 ASP CA C 13 52.822 0.000 . 1 . . . . . 246 ASP CA . 19976 1 1130 . 1 1 246 246 ASP CB C 13 43.514 0.002 . 1 . . . . . 246 ASP CB . 19976 1 1131 . 1 1 246 246 ASP N N 15 121.437 0.010 . 1 . . . . . 246 ASP N . 19976 1 1132 . 1 1 247 247 ASP H H 1 8.980 0.000 . 1 . . . . . 247 ASP H . 19976 1 1133 . 1 1 247 247 ASP C C 13 177.489 0.006 . 1 . . . . . 247 ASP C . 19976 1 1134 . 1 1 247 247 ASP CA C 13 58.008 0.000 . 1 . . . . . 247 ASP CA . 19976 1 1135 . 1 1 247 247 ASP CB C 13 41.263 0.001 . 1 . . . . . 247 ASP CB . 19976 1 1136 . 1 1 247 247 ASP N N 15 129.413 0.015 . 1 . . . . . 247 ASP N . 19976 1 1137 . 1 1 248 248 LYS H H 1 8.620 0.000 . 1 . . . . . 248 LYS H . 19976 1 1138 . 1 1 248 248 LYS C C 13 177.800 0.004 . 1 . . . . . 248 LYS C . 19976 1 1139 . 1 1 248 248 LYS CA C 13 58.900 0.000 . 1 . . . . . 248 LYS CA . 19976 1 1140 . 1 1 248 248 LYS CB C 13 32.304 0.001 . 1 . . . . . 248 LYS CB . 19976 1 1141 . 1 1 248 248 LYS N N 15 118.316 0.012 . 1 . . . . . 248 LYS N . 19976 1 1142 . 1 1 249 249 LEU H H 1 7.022 0.000 . 1 . . . . . 249 LEU H . 19976 1 1143 . 1 1 249 249 LEU C C 13 177.244 0.004 . 1 . . . . . 249 LEU C . 19976 1 1144 . 1 1 249 249 LEU CA C 13 57.872 0.000 . 1 . . . . . 249 LEU CA . 19976 1 1145 . 1 1 249 249 LEU CB C 13 40.820 0.001 . 1 . . . . . 249 LEU CB . 19976 1 1146 . 1 1 249 249 LEU N N 15 118.226 0.016 . 1 . . . . . 249 LEU N . 19976 1 1147 . 1 1 250 250 ILE H H 1 6.961 0.000 . 1 . . . . . 250 ILE H . 19976 1 1148 . 1 1 250 250 ILE C C 13 179.430 0.012 . 1 . . . . . 250 ILE C . 19976 1 1149 . 1 1 250 250 ILE CA C 13 62.744 0.000 . 1 . . . . . 250 ILE CA . 19976 1 1150 . 1 1 250 250 ILE CB C 13 35.666 0.003 . 1 . . . . . 250 ILE CB . 19976 1 1151 . 1 1 250 250 ILE N N 15 116.177 0.013 . 1 . . . . . 250 ILE N . 19976 1 1152 . 1 1 251 251 ALA H H 1 7.291 0.000 . 1 . . . . . 251 ALA H . 19976 1 1153 . 1 1 251 251 ALA C C 13 179.851 0.001 . 1 . . . . . 251 ALA C . 19976 1 1154 . 1 1 251 251 ALA CA C 13 56.246 0.000 . 1 . . . . . 251 ALA CA . 19976 1 1155 . 1 1 251 251 ALA CB C 13 18.825 0.003 . 1 . . . . . 251 ALA CB . 19976 1 1156 . 1 1 251 251 ALA N N 15 126.362 0.014 . 1 . . . . . 251 ALA N . 19976 1 1157 . 1 1 252 252 GLU H H 1 8.667 0.000 . 1 . . . . . 252 GLU H . 19976 1 1158 . 1 1 252 252 GLU C C 13 180.305 0.002 . 1 . . . . . 252 GLU C . 19976 1 1159 . 1 1 252 252 GLU CA C 13 58.762 0.000 . 1 . . . . . 252 GLU CA . 19976 1 1160 . 1 1 252 252 GLU CB C 13 29.387 0.002 . 1 . . . . . 252 GLU CB . 19976 1 1161 . 1 1 252 252 GLU N N 15 115.732 0.011 . 1 . . . . . 252 GLU N . 19976 1 1162 . 1 1 253 253 ALA H H 1 8.569 0.000 . 1 . . . . . 253 ALA H . 19976 1 1163 . 1 1 253 253 ALA C C 13 179.512 0.000 . 1 . . . . . 253 ALA C . 19976 1 1164 . 1 1 253 253 ALA CA C 13 55.407 0.000 . 1 . . . . . 253 ALA CA . 19976 1 1165 . 1 1 253 253 ALA CB C 13 18.279 0.002 . 1 . . . . . 253 ALA CB . 19976 1 1166 . 1 1 253 253 ALA N N 15 123.375 0.013 . 1 . . . . . 253 ALA N . 19976 1 1167 . 1 1 254 254 THR H H 1 7.853 0.000 . 1 . . . . . 254 THR H . 19976 1 1168 . 1 1 254 254 THR C C 13 175.576 0.019 . 1 . . . . . 254 THR C . 19976 1 1169 . 1 1 254 254 THR CA C 13 68.343 0.000 . 1 . . . . . 254 THR CA . 19976 1 1170 . 1 1 254 254 THR CB C 13 68.125 0.003 . 1 . . . . . 254 THR CB . 19976 1 1171 . 1 1 254 254 THR N N 15 116.033 0.010 . 1 . . . . . 254 THR N . 19976 1 1172 . 1 1 255 255 LYS H H 1 7.565 0.000 . 1 . . . . . 255 LYS H . 19976 1 1173 . 1 1 255 255 LYS C C 13 179.915 0.009 . 1 . . . . . 255 LYS C . 19976 1 1174 . 1 1 255 255 LYS CA C 13 60.427 0.000 . 1 . . . . . 255 LYS CA . 19976 1 1175 . 1 1 255 255 LYS CB C 13 32.575 0.007 . 1 . . . . . 255 LYS CB . 19976 1 1176 . 1 1 255 255 LYS N N 15 121.683 0.012 . 1 . . . . . 255 LYS N . 19976 1 1177 . 1 1 256 256 VAL H H 1 7.298 0.000 . 1 . . . . . 256 VAL H . 19976 1 1178 . 1 1 256 256 VAL C C 13 178.212 0.020 . 1 . . . . . 256 VAL C . 19976 1 1179 . 1 1 256 256 VAL CA C 13 66.535 0.000 . 1 . . . . . 256 VAL CA . 19976 1 1180 . 1 1 256 256 VAL CB C 13 30.843 0.004 . 1 . . . . . 256 VAL CB . 19976 1 1181 . 1 1 256 256 VAL N N 15 120.107 0.026 . 1 . . . . . 256 VAL N . 19976 1 1182 . 1 1 257 257 VAL H H 1 7.895 0.015 . 1 . . . . . 257 VAL H . 19976 1 1183 . 1 1 257 257 VAL C C 13 177.248 0.020 . 1 . . . . . 257 VAL C . 19976 1 1184 . 1 1 257 257 VAL CA C 13 67.302 0.046 . 1 . . . . . 257 VAL CA . 19976 1 1185 . 1 1 257 257 VAL CB C 13 31.043 0.002 . 1 . . . . . 257 VAL CB . 19976 1 1186 . 1 1 257 257 VAL N N 15 120.929 0.009 . 1 . . . . . 257 VAL N . 19976 1 1187 . 1 1 258 258 MET H H 1 8.264 0.005 . 1 . . . . . 258 MET H . 19976 1 1188 . 1 1 258 258 MET C C 13 179.181 0.031 . 1 . . . . . 258 MET C . 19976 1 1189 . 1 1 258 258 MET CA C 13 56.944 0.023 . 1 . . . . . 258 MET CA . 19976 1 1190 . 1 1 258 258 MET CB C 13 31.357 0.001 . 1 . . . . . 258 MET CB . 19976 1 1191 . 1 1 258 258 MET N N 15 115.540 0.005 . 1 . . . . . 258 MET N . 19976 1 1192 . 1 1 259 259 LYS H H 1 7.670 0.022 . 1 . . . . . 259 LYS H . 19976 1 1193 . 1 1 259 259 LYS C C 13 179.846 0.008 . 1 . . . . . 259 LYS C . 19976 1 1194 . 1 1 259 259 LYS CA C 13 59.333 0.003 . 1 . . . . . 259 LYS CA . 19976 1 1195 . 1 1 259 259 LYS CB C 13 32.270 0.001 . 1 . . . . . 259 LYS CB . 19976 1 1196 . 1 1 259 259 LYS N N 15 120.892 0.004 . 1 . . . . . 259 LYS N . 19976 1 1197 . 1 1 260 260 ALA H H 1 8.238 0.000 . 1 . . . . . 260 ALA H . 19976 1 1198 . 1 1 260 260 ALA C C 13 179.593 0.003 . 1 . . . . . 260 ALA C . 19976 1 1199 . 1 1 260 260 ALA CA C 13 54.599 0.000 . 1 . . . . . 260 ALA CA . 19976 1 1200 . 1 1 260 260 ALA CB C 13 18.861 0.001 . 1 . . . . . 260 ALA CB . 19976 1 1201 . 1 1 260 260 ALA N N 15 123.939 0.009 . 1 . . . . . 260 ALA N . 19976 1 1202 . 1 1 261 261 LEU H H 1 7.735 0.052 . 1 . . . . . 261 LEU H . 19976 1 1203 . 1 1 261 261 LEU C C 13 176.664 0.036 . 1 . . . . . 261 LEU C . 19976 1 1204 . 1 1 261 261 LEU CA C 13 54.852 0.003 . 1 . . . . . 261 LEU CA . 19976 1 1205 . 1 1 261 261 LEU CB C 13 42.718 0.004 . 1 . . . . . 261 LEU CB . 19976 1 1206 . 1 1 261 261 LEU N N 15 116.240 0.013 . 1 . . . . . 261 LEU N . 19976 1 1207 . 1 1 262 262 ASN H H 1 7.978 0.003 . 1 . . . . . 262 ASN H . 19976 1 1208 . 1 1 262 262 ASN C C 13 175.352 0.003 . 1 . . . . . 262 ASN C . 19976 1 1209 . 1 1 262 262 ASN CA C 13 54.054 0.016 . 1 . . . . . 262 ASN CA . 19976 1 1210 . 1 1 262 262 ASN CB C 13 37.773 0.004 . 1 . . . . . 262 ASN CB . 19976 1 1211 . 1 1 262 262 ASN N N 15 117.476 0.019 . 1 . . . . . 262 ASN N . 19976 1 1212 . 1 1 263 263 MET H H 1 8.220 0.011 . 1 . . . . . 263 MET H . 19976 1 1213 . 1 1 263 263 MET C C 13 175.665 0.004 . 1 . . . . . 263 MET C . 19976 1 1214 . 1 1 263 263 MET CA C 13 55.661 0.027 . 1 . . . . . 263 MET CA . 19976 1 1215 . 1 1 263 263 MET CB C 13 33.048 0.002 . 1 . . . . . 263 MET CB . 19976 1 1216 . 1 1 263 263 MET N N 15 118.384 0.011 . 1 . . . . . 263 MET N . 19976 1 1217 . 1 1 264 264 ASN H H 1 8.253 0.015 . 1 . . . . . 264 ASN H . 19976 1 1218 . 1 1 264 264 ASN C C 13 175.545 0.002 . 1 . . . . . 264 ASN C . 19976 1 1219 . 1 1 264 264 ASN CA C 13 53.149 0.031 . 1 . . . . . 264 ASN CA . 19976 1 1220 . 1 1 264 264 ASN CB C 13 39.172 0.002 . 1 . . . . . 264 ASN CB . 19976 1 1221 . 1 1 264 264 ASN N N 15 118.148 0.033 . 1 . . . . . 264 ASN N . 19976 1 1222 . 1 1 265 265 GLY H H 1 8.226 0.000 . 1 . . . . . 265 GLY H . 19976 1 1223 . 1 1 265 265 GLY C C 13 174.559 0.012 . 1 . . . . . 265 GLY C . 19976 1 1224 . 1 1 265 265 GLY CA C 13 45.463 0.013 . 1 . . . . . 265 GLY CA . 19976 1 1225 . 1 1 265 265 GLY N N 15 109.148 0.047 . 1 . . . . . 265 GLY N . 19976 1 1226 . 1 1 266 266 LYS H H 1 8.121 0.024 . 1 . . . . . 266 LYS H . 19976 1 1227 . 1 1 266 266 LYS C C 13 176.854 0.005 . 1 . . . . . 266 LYS C . 19976 1 1228 . 1 1 266 266 LYS CA C 13 56.021 0.029 . 1 . . . . . 266 LYS CA . 19976 1 1229 . 1 1 266 266 LYS CB C 13 33.140 0.003 . 1 . . . . . 266 LYS CB . 19976 1 1230 . 1 1 266 266 LYS N N 15 120.916 0.063 . 1 . . . . . 266 LYS N . 19976 1 1231 . 1 1 267 267 GLY H H 1 8.236 0.000 . 1 . . . . . 267 GLY H . 19976 1 1232 . 1 1 267 267 GLY C C 13 171.983 0.000 . 1 . . . . . 267 GLY C . 19976 1 1233 . 1 1 267 267 GLY CA C 13 44.552 0.000 . 1 . . . . . 267 GLY CA . 19976 1 1234 . 1 1 267 267 GLY N N 15 110.156 0.007 . 1 . . . . . 267 GLY N . 19976 1 stop_ save_