data_51687 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51687 _Entry.Title ; Backbone and CB chemical shifts of HPy1 repetitive unit from Argiope argentata ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-05 _Entry.Accession_date 2022-11-05 _Entry.Last_release_date 2022-11-07 _Entry.Original_release_date 2022-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jeffrey Simmons . R. . . 51687 2 Jan Rainey . K. . . 51687 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Rainey Lab' . 51687 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51687 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 51687 '15N chemical shifts' 190 51687 '1H chemical shifts' 185 51687 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-08-03 2022-11-05 update BMRB 'update entry citation' 51687 1 . . 2023-03-14 2022-11-05 original author 'original release' 51687 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51688 'truncated structured core of HPy1 repetitive unit from Argiope argentata' 51687 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51687 _Citation.ID 1 _Citation.Name 'entry citation' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36802452 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Features, Intrinsic Disorder, and Modularity of a Pyriform Spidroin 1 Core Repetitive Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Cell Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 271 _Citation.Page_last 283 _Citation.Year 2023 _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 Jeffrey Simmons . R. . . 51687 1 2 Genevieve Gasmi-Seabrook . . . . 51687 1 3 Jan Rainey . K. . . 51687 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51687 _Assembly.ID 1 _Assembly.Name 'HPy1 v2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24509.6595 _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 'HPy1 v2' 1 $entity_1 . . yes native no no . . . 51687 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51687 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSSAQENSFTQSS VAQQSAVAQQSSVSQQSSAA QQSSVAQSQQTSYSAATNAG SSVSQSQAIVSSAPVYFNSQ TLTNNLASSLQSLNALNYVS NGQLSSSDVASTVARAVAQS LGLSQGSVQNIMSQQLSSIG SGASTSSLSQAIANAVSSAV QGSQAAAPGQEQSIAQRVNS AISSAFAQLISQRTAPAPAP RPRPAPLPAPAPRPRPAPAP RPAPVYAPAPVASQFQASAS SQS ; _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 243 _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 24509.6595 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51687 1 2 . GLY . 51687 1 3 . HIS . 51687 1 4 . HIS . 51687 1 5 . HIS . 51687 1 6 . HIS . 51687 1 7 . HIS . 51687 1 8 . HIS . 51687 1 9 . SER . 51687 1 10 . SER . 51687 1 11 . ALA . 51687 1 12 . GLN . 51687 1 13 . GLU . 51687 1 14 . ASN . 51687 1 15 . SER . 51687 1 16 . PHE . 51687 1 17 . THR . 51687 1 18 . GLN . 51687 1 19 . SER . 51687 1 20 . SER . 51687 1 21 . VAL . 51687 1 22 . ALA . 51687 1 23 . GLN . 51687 1 24 . GLN . 51687 1 25 . SER . 51687 1 26 . ALA . 51687 1 27 . VAL . 51687 1 28 . ALA . 51687 1 29 . GLN . 51687 1 30 . GLN . 51687 1 31 . SER . 51687 1 32 . SER . 51687 1 33 . VAL . 51687 1 34 . SER . 51687 1 35 . GLN . 51687 1 36 . GLN . 51687 1 37 . SER . 51687 1 38 . SER . 51687 1 39 . ALA . 51687 1 40 . ALA . 51687 1 41 . GLN . 51687 1 42 . GLN . 51687 1 43 . SER . 51687 1 44 . SER . 51687 1 45 . VAL . 51687 1 46 . ALA . 51687 1 47 . GLN . 51687 1 48 . SER . 51687 1 49 . GLN . 51687 1 50 . GLN . 51687 1 51 . THR . 51687 1 52 . SER . 51687 1 53 . TYR . 51687 1 54 . SER . 51687 1 55 . ALA . 51687 1 56 . ALA . 51687 1 57 . THR . 51687 1 58 . ASN . 51687 1 59 . ALA . 51687 1 60 . GLY . 51687 1 61 . SER . 51687 1 62 . SER . 51687 1 63 . VAL . 51687 1 64 . SER . 51687 1 65 . GLN . 51687 1 66 . SER . 51687 1 67 . GLN . 51687 1 68 . ALA . 51687 1 69 . ILE . 51687 1 70 . VAL . 51687 1 71 . SER . 51687 1 72 . SER . 51687 1 73 . ALA . 51687 1 74 . PRO . 51687 1 75 . VAL . 51687 1 76 . TYR . 51687 1 77 . PHE . 51687 1 78 . ASN . 51687 1 79 . SER . 51687 1 80 . GLN . 51687 1 81 . THR . 51687 1 82 . LEU . 51687 1 83 . THR . 51687 1 84 . ASN . 51687 1 85 . ASN . 51687 1 86 . LEU . 51687 1 87 . ALA . 51687 1 88 . SER . 51687 1 89 . SER . 51687 1 90 . LEU . 51687 1 91 . GLN . 51687 1 92 . SER . 51687 1 93 . LEU . 51687 1 94 . ASN . 51687 1 95 . ALA . 51687 1 96 . LEU . 51687 1 97 . ASN . 51687 1 98 . TYR . 51687 1 99 . VAL . 51687 1 100 . SER . 51687 1 101 . ASN . 51687 1 102 . GLY . 51687 1 103 . GLN . 51687 1 104 . LEU . 51687 1 105 . SER . 51687 1 106 . SER . 51687 1 107 . SER . 51687 1 108 . ASP . 51687 1 109 . VAL . 51687 1 110 . ALA . 51687 1 111 . SER . 51687 1 112 . THR . 51687 1 113 . VAL . 51687 1 114 . ALA . 51687 1 115 . ARG . 51687 1 116 . ALA . 51687 1 117 . VAL . 51687 1 118 . ALA . 51687 1 119 . GLN . 51687 1 120 . SER . 51687 1 121 . LEU . 51687 1 122 . GLY . 51687 1 123 . LEU . 51687 1 124 . SER . 51687 1 125 . GLN . 51687 1 126 . GLY . 51687 1 127 . SER . 51687 1 128 . VAL . 51687 1 129 . GLN . 51687 1 130 . ASN . 51687 1 131 . ILE . 51687 1 132 . MET . 51687 1 133 . SER . 51687 1 134 . GLN . 51687 1 135 . GLN . 51687 1 136 . LEU . 51687 1 137 . SER . 51687 1 138 . SER . 51687 1 139 . ILE . 51687 1 140 . GLY . 51687 1 141 . SER . 51687 1 142 . GLY . 51687 1 143 . ALA . 51687 1 144 . SER . 51687 1 145 . THR . 51687 1 146 . SER . 51687 1 147 . SER . 51687 1 148 . LEU . 51687 1 149 . SER . 51687 1 150 . GLN . 51687 1 151 . ALA . 51687 1 152 . ILE . 51687 1 153 . ALA . 51687 1 154 . ASN . 51687 1 155 . ALA . 51687 1 156 . VAL . 51687 1 157 . SER . 51687 1 158 . SER . 51687 1 159 . ALA . 51687 1 160 . VAL . 51687 1 161 . GLN . 51687 1 162 . GLY . 51687 1 163 . SER . 51687 1 164 . GLN . 51687 1 165 . ALA . 51687 1 166 . ALA . 51687 1 167 . ALA . 51687 1 168 . PRO . 51687 1 169 . GLY . 51687 1 170 . GLN . 51687 1 171 . GLU . 51687 1 172 . GLN . 51687 1 173 . SER . 51687 1 174 . ILE . 51687 1 175 . ALA . 51687 1 176 . GLN . 51687 1 177 . ARG . 51687 1 178 . VAL . 51687 1 179 . ASN . 51687 1 180 . SER . 51687 1 181 . ALA . 51687 1 182 . ILE . 51687 1 183 . SER . 51687 1 184 . SER . 51687 1 185 . ALA . 51687 1 186 . PHE . 51687 1 187 . ALA . 51687 1 188 . GLN . 51687 1 189 . LEU . 51687 1 190 . ILE . 51687 1 191 . SER . 51687 1 192 . GLN . 51687 1 193 . ARG . 51687 1 194 . THR . 51687 1 195 . ALA . 51687 1 196 . PRO . 51687 1 197 . ALA . 51687 1 198 . PRO . 51687 1 199 . ALA . 51687 1 200 . PRO . 51687 1 201 . ARG . 51687 1 202 . PRO . 51687 1 203 . ARG . 51687 1 204 . PRO . 51687 1 205 . ALA . 51687 1 206 . PRO . 51687 1 207 . LEU . 51687 1 208 . PRO . 51687 1 209 . ALA . 51687 1 210 . PRO . 51687 1 211 . ALA . 51687 1 212 . PRO . 51687 1 213 . ARG . 51687 1 214 . PRO . 51687 1 215 . ARG . 51687 1 216 . PRO . 51687 1 217 . ALA . 51687 1 218 . PRO . 51687 1 219 . ALA . 51687 1 220 . PRO . 51687 1 221 . ARG . 51687 1 222 . PRO . 51687 1 223 . ALA . 51687 1 224 . PRO . 51687 1 225 . VAL . 51687 1 226 . TYR . 51687 1 227 . ALA . 51687 1 228 . PRO . 51687 1 229 . ALA . 51687 1 230 . PRO . 51687 1 231 . VAL . 51687 1 232 . ALA . 51687 1 233 . SER . 51687 1 234 . GLN . 51687 1 235 . PHE . 51687 1 236 . GLN . 51687 1 237 . ALA . 51687 1 238 . SER . 51687 1 239 . ALA . 51687 1 240 . SER . 51687 1 241 . SER . 51687 1 242 . GLN . 51687 1 243 . SER . 51687 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51687 1 . GLY 2 2 51687 1 . HIS 3 3 51687 1 . HIS 4 4 51687 1 . HIS 5 5 51687 1 . HIS 6 6 51687 1 . HIS 7 7 51687 1 . HIS 8 8 51687 1 . SER 9 9 51687 1 . SER 10 10 51687 1 . ALA 11 11 51687 1 . GLN 12 12 51687 1 . GLU 13 13 51687 1 . ASN 14 14 51687 1 . SER 15 15 51687 1 . PHE 16 16 51687 1 . THR 17 17 51687 1 . GLN 18 18 51687 1 . SER 19 19 51687 1 . SER 20 20 51687 1 . VAL 21 21 51687 1 . ALA 22 22 51687 1 . GLN 23 23 51687 1 . GLN 24 24 51687 1 . SER 25 25 51687 1 . ALA 26 26 51687 1 . VAL 27 27 51687 1 . ALA 28 28 51687 1 . GLN 29 29 51687 1 . GLN 30 30 51687 1 . SER 31 31 51687 1 . SER 32 32 51687 1 . VAL 33 33 51687 1 . SER 34 34 51687 1 . GLN 35 35 51687 1 . GLN 36 36 51687 1 . SER 37 37 51687 1 . SER 38 38 51687 1 . ALA 39 39 51687 1 . ALA 40 40 51687 1 . GLN 41 41 51687 1 . GLN 42 42 51687 1 . SER 43 43 51687 1 . SER 44 44 51687 1 . VAL 45 45 51687 1 . ALA 46 46 51687 1 . GLN 47 47 51687 1 . SER 48 48 51687 1 . GLN 49 49 51687 1 . GLN 50 50 51687 1 . THR 51 51 51687 1 . SER 52 52 51687 1 . TYR 53 53 51687 1 . SER 54 54 51687 1 . ALA 55 55 51687 1 . ALA 56 56 51687 1 . THR 57 57 51687 1 . ASN 58 58 51687 1 . ALA 59 59 51687 1 . GLY 60 60 51687 1 . SER 61 61 51687 1 . SER 62 62 51687 1 . VAL 63 63 51687 1 . SER 64 64 51687 1 . GLN 65 65 51687 1 . SER 66 66 51687 1 . GLN 67 67 51687 1 . ALA 68 68 51687 1 . ILE 69 69 51687 1 . VAL 70 70 51687 1 . SER 71 71 51687 1 . SER 72 72 51687 1 . ALA 73 73 51687 1 . PRO 74 74 51687 1 . VAL 75 75 51687 1 . TYR 76 76 51687 1 . PHE 77 77 51687 1 . ASN 78 78 51687 1 . SER 79 79 51687 1 . GLN 80 80 51687 1 . THR 81 81 51687 1 . LEU 82 82 51687 1 . THR 83 83 51687 1 . ASN 84 84 51687 1 . ASN 85 85 51687 1 . LEU 86 86 51687 1 . ALA 87 87 51687 1 . SER 88 88 51687 1 . SER 89 89 51687 1 . LEU 90 90 51687 1 . GLN 91 91 51687 1 . SER 92 92 51687 1 . LEU 93 93 51687 1 . ASN 94 94 51687 1 . ALA 95 95 51687 1 . LEU 96 96 51687 1 . ASN 97 97 51687 1 . TYR 98 98 51687 1 . VAL 99 99 51687 1 . SER 100 100 51687 1 . ASN 101 101 51687 1 . GLY 102 102 51687 1 . GLN 103 103 51687 1 . LEU 104 104 51687 1 . SER 105 105 51687 1 . SER 106 106 51687 1 . SER 107 107 51687 1 . ASP 108 108 51687 1 . VAL 109 109 51687 1 . ALA 110 110 51687 1 . SER 111 111 51687 1 . THR 112 112 51687 1 . VAL 113 113 51687 1 . ALA 114 114 51687 1 . ARG 115 115 51687 1 . ALA 116 116 51687 1 . VAL 117 117 51687 1 . ALA 118 118 51687 1 . GLN 119 119 51687 1 . SER 120 120 51687 1 . LEU 121 121 51687 1 . GLY 122 122 51687 1 . LEU 123 123 51687 1 . SER 124 124 51687 1 . GLN 125 125 51687 1 . GLY 126 126 51687 1 . SER 127 127 51687 1 . VAL 128 128 51687 1 . GLN 129 129 51687 1 . ASN 130 130 51687 1 . ILE 131 131 51687 1 . MET 132 132 51687 1 . SER 133 133 51687 1 . GLN 134 134 51687 1 . GLN 135 135 51687 1 . LEU 136 136 51687 1 . SER 137 137 51687 1 . SER 138 138 51687 1 . ILE 139 139 51687 1 . GLY 140 140 51687 1 . SER 141 141 51687 1 . GLY 142 142 51687 1 . ALA 143 143 51687 1 . SER 144 144 51687 1 . THR 145 145 51687 1 . SER 146 146 51687 1 . SER 147 147 51687 1 . LEU 148 148 51687 1 . SER 149 149 51687 1 . GLN 150 150 51687 1 . ALA 151 151 51687 1 . ILE 152 152 51687 1 . ALA 153 153 51687 1 . ASN 154 154 51687 1 . ALA 155 155 51687 1 . VAL 156 156 51687 1 . SER 157 157 51687 1 . SER 158 158 51687 1 . ALA 159 159 51687 1 . VAL 160 160 51687 1 . GLN 161 161 51687 1 . GLY 162 162 51687 1 . SER 163 163 51687 1 . GLN 164 164 51687 1 . ALA 165 165 51687 1 . ALA 166 166 51687 1 . ALA 167 167 51687 1 . PRO 168 168 51687 1 . GLY 169 169 51687 1 . GLN 170 170 51687 1 . GLU 171 171 51687 1 . GLN 172 172 51687 1 . SER 173 173 51687 1 . ILE 174 174 51687 1 . ALA 175 175 51687 1 . GLN 176 176 51687 1 . ARG 177 177 51687 1 . VAL 178 178 51687 1 . ASN 179 179 51687 1 . SER 180 180 51687 1 . ALA 181 181 51687 1 . ILE 182 182 51687 1 . SER 183 183 51687 1 . SER 184 184 51687 1 . ALA 185 185 51687 1 . PHE 186 186 51687 1 . ALA 187 187 51687 1 . GLN 188 188 51687 1 . LEU 189 189 51687 1 . ILE 190 190 51687 1 . SER 191 191 51687 1 . GLN 192 192 51687 1 . ARG 193 193 51687 1 . THR 194 194 51687 1 . ALA 195 195 51687 1 . PRO 196 196 51687 1 . ALA 197 197 51687 1 . PRO 198 198 51687 1 . ALA 199 199 51687 1 . PRO 200 200 51687 1 . ARG 201 201 51687 1 . PRO 202 202 51687 1 . ARG 203 203 51687 1 . PRO 204 204 51687 1 . ALA 205 205 51687 1 . PRO 206 206 51687 1 . LEU 207 207 51687 1 . PRO 208 208 51687 1 . ALA 209 209 51687 1 . PRO 210 210 51687 1 . ALA 211 211 51687 1 . PRO 212 212 51687 1 . ARG 213 213 51687 1 . PRO 214 214 51687 1 . ARG 215 215 51687 1 . PRO 216 216 51687 1 . ALA 217 217 51687 1 . PRO 218 218 51687 1 . ALA 219 219 51687 1 . PRO 220 220 51687 1 . ARG 221 221 51687 1 . PRO 222 222 51687 1 . ALA 223 223 51687 1 . PRO 224 224 51687 1 . VAL 225 225 51687 1 . TYR 226 226 51687 1 . ALA 227 227 51687 1 . PRO 228 228 51687 1 . ALA 229 229 51687 1 . PRO 230 230 51687 1 . VAL 231 231 51687 1 . ALA 232 232 51687 1 . SER 233 233 51687 1 . GLN 234 234 51687 1 . PHE 235 235 51687 1 . GLN 236 236 51687 1 . ALA 237 237 51687 1 . SER 238 238 51687 1 . ALA 239 239 51687 1 . SER 240 240 51687 1 . SER 241 241 51687 1 . GLN 242 242 51687 1 . SER 243 243 51687 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51687 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 233271 organism . 'Argiope argentata' 'Argiope argentata' . . Eukaryota Metazoa Argiope argentata . . . . . . . . . . . . 'Pyriform spridroin 1 (PySp1) repeat unit' 51687 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51687 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET32 . . . 51687 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51687 _Sample.ID 1 _Sample.Name 'HPy1 triple resonance' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '1 mM DSS' 'natural abundance' . . . . . . 1.0 . . mM . . . . 51687 1 2 '1 mM NaN3' 'natural abundance' . . . . . . 1.0 . . mM . . . . 51687 1 3 HPy1_v2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51687 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51687 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details pH6_potassium_phosphate 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' 0.050 . M 51687 1 pH 6.000 . pH 51687 1 pressure 1.000 . atm 51687 1 temperature 313.150 . K 51687 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51687 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51687 1 'data analysis' . 51687 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51687 _Software.ID 2 _Software.Type . _Software.Name DANGLE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51687 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51687 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NRC 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51687 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'PMH 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51687 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 2 'HNcaCO (HNcaCO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 3 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 4 'CBCAcoNH (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 8 'hcanco (hCANCO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51687 1 9 'hcacon (h{CA|Cca}CO[N])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51687 1 10 'hcaco (haCACO)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51687 1 11 'con v3 (CO[N])' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51687 1 12 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 13 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 14 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51687 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51687 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site 'University of Connecticut' _Computing_platform.Site_reference_ID . _Computing_platform.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51687 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference 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 0.0 internal indirect 0.251449 . . . . . 51687 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 51687 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.1013 . . . . . 51687 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51687 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 51687 1 2 'HNcaCO (HNcaCO)' . . . 51687 1 3 '2D 1H-15N HSQC/HMQC' . . . 51687 1 4 'CBCAcoNH (H[N[co[{CA|ca[C]}]]])' . . . 51687 1 5 '3D HNCACB' . . . 51687 1 6 '3D HNCA' . . . 51687 1 7 '3D 1H-15N NOESY' . . . 51687 1 8 'hcanco (hCANCO)' . . . 51687 1 9 'hcacon (h{CA|Cca}CO[N])' . . . 51687 1 10 'hcaco (haCACO)' . . . 51687 1 11 'con v3 (CO[N])' . . . 51687 1 12 '2D 1H-15N HSQC/HMQC' . . . 51687 1 13 '2D 1H-15N HSQC/HMQC' . . . 51687 1 14 '2D 1H-15N HSQC/HMQC' . . . 51687 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51687 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 10 10 SER H H 1 8.297 0.0 . 1 . . 1143 . . 10 SER H . 51687 1 2 . 1 . 1 10 10 SER C C 13 174.333 0.006 . 1 . . 864 . . 10 SER C . 51687 1 3 . 1 . 1 10 10 SER CA C 13 58.396 0.009 . 1 . . 865 . . 10 SER CA . 51687 1 4 . 1 . 1 10 10 SER CB C 13 63.890 . . 1 . . 1142 . . 10 SER CB . 51687 1 5 . 1 . 1 10 10 SER N N 15 117.750 0.022 . 1 . . 1141 . . 10 SER N . 51687 1 6 . 1 . 1 11 11 ALA H H 1 8.249 0.002 . 1 . . 818 . . 11 ALA H . 51687 1 7 . 1 . 1 11 11 ALA C C 13 177.710 0.008 . 1 . . 817 . . 11 ALA C . 51687 1 8 . 1 . 1 11 11 ALA CA C 13 52.723 0.09 . 1 . . 820 . . 11 ALA CA . 51687 1 9 . 1 . 1 11 11 ALA CB C 13 19.139 . . 1 . . 821 . . 11 ALA CB . 51687 1 10 . 1 . 1 11 11 ALA N N 15 125.614 0.037 . 1 . . 819 . . 11 ALA N . 51687 1 11 . 1 . 1 12 12 GLN H H 1 8.209 0.006 . 1 . . 712 . . 12 GLN H . 51687 1 12 . 1 . 1 12 12 GLN C C 13 176.088 0.02 . 1 . . 716 . . 12 GLN C . 51687 1 13 . 1 . 1 12 12 GLN CA C 13 56.015 0.051 . 1 . . 715 . . 12 GLN CA . 51687 1 14 . 1 . 1 12 12 GLN CB C 13 29.478 . . 1 . . 714 . . 12 GLN CB . 51687 1 15 . 1 . 1 12 12 GLN N N 15 119.360 0.148 . 1 . . 713 . . 12 GLN N . 51687 1 16 . 1 . 1 13 13 GLU H H 1 8.273 0.007 . 1 . . 619 . . 13 GLU H . 51687 1 17 . 1 . 1 13 13 GLU C C 13 176.244 0.011 . 1 . . 621 . . 13 GLU C . 51687 1 18 . 1 . 1 13 13 GLU CA C 13 56.908 0.042 . 1 . . 622 . . 13 GLU CA . 51687 1 19 . 1 . 1 13 13 GLU CB C 13 30.323 . . 1 . . 623 . . 13 GLU CB . 51687 1 20 . 1 . 1 13 13 GLU N N 15 121.656 0.065 . 1 . . 620 . . 13 GLU N . 51687 1 21 . 1 . 1 14 14 ASN H H 1 8.326 0.004 . 1 . . 614 . . 14 ASN H . 51687 1 22 . 1 . 1 14 14 ASN C C 13 175.162 0.004 . 1 . . 616 . . 14 ASN C . 51687 1 23 . 1 . 1 14 14 ASN CA C 13 53.300 0.065 . 1 . . 617 . . 14 ASN CA . 51687 1 24 . 1 . 1 14 14 ASN CB C 13 39.071 . . 1 . . 618 . . 14 ASN CB . 51687 1 25 . 1 . 1 14 14 ASN N N 15 119.242 0.065 . 1 . . 615 . . 14 ASN N . 51687 1 26 . 1 . 1 15 15 SER H H 1 8.108 0.006 . 1 . . 724 . . 15 SER H . 51687 1 27 . 1 . 1 15 15 SER C C 13 174.328 0.005 . 1 . . 726 . . 15 SER C . 51687 1 28 . 1 . 1 15 15 SER CA C 13 58.597 0.088 . 1 . . 727 . . 15 SER CA . 51687 1 29 . 1 . 1 15 15 SER CB C 13 63.930 . . 1 . . 728 . . 15 SER CB . 51687 1 30 . 1 . 1 15 15 SER N N 15 115.666 0.085 . 1 . . 725 . . 15 SER N . 51687 1 31 . 1 . 1 16 16 PHE H H 1 8.152 0.006 . 1 . . 809 . . 16 PHE H . 51687 1 32 . 1 . 1 16 16 PHE C C 13 175.969 0.015 . 1 . . 811 . . 16 PHE C . 51687 1 33 . 1 . 1 16 16 PHE CA C 13 57.734 . . 1 . . 813 . . 16 PHE CA . 51687 1 34 . 1 . 1 16 16 PHE CB C 13 39.481 . . 1 . . 812 . . 16 PHE CB . 51687 1 35 . 1 . 1 16 16 PHE N N 15 121.690 0.038 . 1 . . 810 . . 16 PHE N . 51687 1 36 . 1 . 1 17 17 THR H H 1 7.957 0.005 . 1 . . 804 . . 17 THR H . 51687 1 37 . 1 . 1 17 17 THR C C 13 174.346 0.021 . 1 . . 806 . . 17 THR C . 51687 1 38 . 1 . 1 17 17 THR CA C 13 61.983 0.052 . 1 . . 807 . . 17 THR CA . 51687 1 39 . 1 . 1 17 17 THR CB C 13 69.986 . . 1 . . 808 . . 17 THR CB . 51687 1 40 . 1 . 1 17 17 THR N N 15 115.347 0.03 . 1 . . 805 . . 17 THR N . 51687 1 41 . 1 . 1 18 18 GLN H H 1 8.237 0.004 . 1 . . 866 . . 18 GLN H . 51687 1 42 . 1 . 1 18 18 GLN C C 13 175.952 0.023 . 1 . . 869 . . 18 GLN C . 51687 1 43 . 1 . 1 18 18 GLN CA C 13 56.038 0.022 . 1 . . 814 . . 18 GLN CA . 51687 1 44 . 1 . 1 18 18 GLN CB C 13 29.593 . . 1 . . 868 . . 18 GLN CB . 51687 1 45 . 1 . 1 18 18 GLN N N 15 122.509 0.024 . 1 . . 867 . . 18 GLN N . 51687 1 46 . 1 . 1 20 20 SER H H 1 8.220 0.003 . 1 . . 1131 . . 20 SER H . 51687 1 47 . 1 . 1 20 20 SER CA C 13 58.313 . . 1 . . 1134 . . 20 SER CA . 51687 1 48 . 1 . 1 20 20 SER CB C 13 63.914 . . 1 . . 1133 . . 20 SER CB . 51687 1 49 . 1 . 1 20 20 SER N N 15 117.761 0.048 . 1 . . 1132 . . 20 SER N . 51687 1 50 . 1 . 1 23 23 GLN H H 1 8.157 0.002 . 1 . . 1113 . . 23 GLN H . 51687 1 51 . 1 . 1 23 23 GLN CA C 13 56.075 . . 1 . . 1116 . . 23 GLN CA . 51687 1 52 . 1 . 1 23 23 GLN CB C 13 29.463 . . 1 . . 1115 . . 23 GLN CB . 51687 1 53 . 1 . 1 23 23 GLN N N 15 119.153 0.02 . 1 . . 1114 . . 23 GLN N . 51687 1 54 . 1 . 1 25 25 SER C C 13 174.378 0.005 . 1 . . 858 . . 25 SER C . 51687 1 55 . 1 . 1 25 25 SER CA C 13 58.338 . . 1 . . 859 . . 25 SER CA . 51687 1 56 . 1 . 1 26 26 ALA H H 1 8.254 0.009 . 1 . . 672 . . 26 ALA H . 51687 1 57 . 1 . 1 26 26 ALA C C 13 177.795 0.018 . 1 . . 675 . . 26 ALA C . 51687 1 58 . 1 . 1 26 26 ALA CA C 13 52.687 0.021 . 1 . . 674 . . 26 ALA CA . 51687 1 59 . 1 . 1 26 26 ALA CB C 13 19.332 . . 1 . . 676 . . 26 ALA CB . 51687 1 60 . 1 . 1 26 26 ALA N N 15 125.743 0.041 . 1 . . 673 . . 26 ALA N . 51687 1 61 . 1 . 1 27 27 VAL H H 1 7.887 0.008 . 1 . . 585 . . 27 VAL H . 51687 1 62 . 1 . 1 27 27 VAL C C 13 176.044 0.001 . 1 . . 589 . . 27 VAL C . 51687 1 63 . 1 . 1 27 27 VAL CA C 13 62.413 0.052 . 1 . . 588 . . 27 VAL CA . 51687 1 64 . 1 . 1 27 27 VAL CB C 13 32.722 . . 1 . . 587 . . 27 VAL CB . 51687 1 65 . 1 . 1 27 27 VAL N N 15 118.318 0.082 . 1 . . 586 . . 27 VAL N . 51687 1 66 . 1 . 1 28 28 ALA H H 1 8.185 0.002 . 1 . . 580 . . 28 ALA H . 51687 1 67 . 1 . 1 28 28 ALA C C 13 177.857 0.007 . 1 . . 584 . . 28 ALA C . 51687 1 68 . 1 . 1 28 28 ALA CA C 13 52.816 0.003 . 1 . . 583 . . 28 ALA CA . 51687 1 69 . 1 . 1 28 28 ALA CB C 13 19.103 . . 1 . . 582 . . 28 ALA CB . 51687 1 70 . 1 . 1 28 28 ALA N N 15 126.868 0.062 . 1 . . 581 . . 28 ALA N . 51687 1 71 . 1 . 1 29 29 GLN H H 1 8.208 0.01 . 1 . . 717 . . 29 GLN H . 51687 1 72 . 1 . 1 29 29 GLN C C 13 176.236 . . 1 . . 719 . . 29 GLN C . 51687 1 73 . 1 . 1 29 29 GLN CA C 13 56.085 0.018 . 1 . . 720 . . 29 GLN CA . 51687 1 74 . 1 . 1 29 29 GLN CB C 13 29.465 . . 1 . . 643 . . 29 GLN CB . 51687 1 75 . 1 . 1 29 29 GLN N N 15 119.299 0.064 . 1 . . 718 . . 29 GLN N . 51687 1 76 . 1 . 1 31 31 SER H H 1 8.246 0.007 . 1 . . 870 . . 31 SER H . 51687 1 77 . 1 . 1 31 31 SER C C 13 174.612 . . 1 . . 915 . . 31 SER C . 51687 1 78 . 1 . 1 31 31 SER CA C 13 58.485 0.007 . 1 . . 872 . . 31 SER CA . 51687 1 79 . 1 . 1 31 31 SER CB C 13 63.883 . . 1 . . 873 . . 31 SER CB . 51687 1 80 . 1 . 1 31 31 SER N N 15 116.757 0.032 . 1 . . 871 . . 31 SER N . 51687 1 81 . 1 . 1 32 32 SER H H 1 8.275 0.001 . 1 . . 902 . . 32 SER H . 51687 1 82 . 1 . 1 32 32 SER C C 13 174.621 . . 1 . . 906 . . 32 SER C . 51687 1 83 . 1 . 1 32 32 SER CA C 13 58.478 . . 1 . . 904 . . 32 SER CA . 51687 1 84 . 1 . 1 32 32 SER CB C 13 63.894 . . 1 . . 905 . . 32 SER CB . 51687 1 85 . 1 . 1 32 32 SER N N 15 117.709 . . 1 . . 903 . . 32 SER N . 51687 1 86 . 1 . 1 33 33 VAL H H 1 8.018 0.002 . 1 . . 897 . . 33 VAL H . 51687 1 87 . 1 . 1 33 33 VAL C C 13 176.269 . . 1 . . 901 . . 33 VAL C . 51687 1 88 . 1 . 1 33 33 VAL CA C 13 62.392 . . 1 . . 900 . . 33 VAL CA . 51687 1 89 . 1 . 1 33 33 VAL CB C 13 32.734 . . 1 . . 899 . . 33 VAL CB . 51687 1 90 . 1 . 1 33 33 VAL N N 15 120.906 0.011 . 1 . . 898 . . 33 VAL N . 51687 1 91 . 1 . 1 34 34 SER H H 1 8.239 0.003 . 1 . . 1118 . . 34 SER H . 51687 1 92 . 1 . 1 34 34 SER C C 13 174.651 . . 1 . . 1120 . . 34 SER C . 51687 1 93 . 1 . 1 34 34 SER CA C 13 58.504 . . 1 . . 1121 . . 34 SER CA . 51687 1 94 . 1 . 1 34 34 SER CB C 13 63.829 . . 1 . . 1122 . . 34 SER CB . 51687 1 95 . 1 . 1 34 34 SER N N 15 118.677 0.0 . 1 . . 1119 . . 34 SER N . 51687 1 96 . 1 . 1 37 37 SER C C 13 174.703 0.005 . 1 . . 815 . . 37 SER C . 51687 1 97 . 1 . 1 37 37 SER CA C 13 58.627 0.004 . 1 . . 816 . . 37 SER CA . 51687 1 98 . 1 . 1 38 38 SER H H 1 8.303 0.002 . 1 . . 771 . . 38 SER H . 51687 1 99 . 1 . 1 38 38 SER C C 13 174.536 0.026 . 1 . . 775 . . 38 SER C . 51687 1 100 . 1 . 1 38 38 SER CA C 13 58.592 0.022 . 1 . . 773 . . 38 SER CA . 51687 1 101 . 1 . 1 38 38 SER CB C 13 63.912 . . 1 . . 774 . . 38 SER CB . 51687 1 102 . 1 . 1 38 38 SER N N 15 117.731 0.018 . 1 . . 772 . . 38 SER N . 51687 1 103 . 1 . 1 39 39 ALA H H 1 8.187 0.0 . 1 . . 688 . . 39 ALA H . 51687 1 104 . 1 . 1 39 39 ALA C C 13 177.703 0.008 . 1 . . 690 . . 39 ALA C . 51687 1 105 . 1 . 1 39 39 ALA CA C 13 52.849 0.062 . 1 . . 691 . . 39 ALA CA . 51687 1 106 . 1 . 1 39 39 ALA CB C 13 19.094 . . 1 . . 692 . . 39 ALA CB . 51687 1 107 . 1 . 1 39 39 ALA N N 15 125.572 0.014 . 1 . . 689 . . 39 ALA N . 51687 1 108 . 1 . 1 40 40 ALA H H 1 8.053 0.003 . 1 . . 654 . . 40 ALA H . 51687 1 109 . 1 . 1 40 40 ALA C C 13 177.922 0.002 . 1 . . 658 . . 40 ALA C . 51687 1 110 . 1 . 1 40 40 ALA CA C 13 52.786 0.062 . 1 . . 657 . . 40 ALA CA . 51687 1 111 . 1 . 1 40 40 ALA CB C 13 19.074 . . 1 . . 656 . . 40 ALA CB . 51687 1 112 . 1 . 1 40 40 ALA N N 15 122.396 0.038 . 1 . . 655 . . 40 ALA N . 51687 1 113 . 1 . 1 41 41 GLN H H 1 8.115 0.004 . 1 . . 659 . . 41 GLN H . 51687 1 114 . 1 . 1 41 41 GLN C C 13 176.026 . . 1 . . 1124 . . 41 GLN C . 51687 1 115 . 1 . 1 41 41 GLN CA C 13 56.052 0.048 . 1 . . 661 . . 41 GLN CA . 51687 1 116 . 1 . 1 41 41 GLN CB C 13 29.410 . . 1 . . 662 . . 41 GLN CB . 51687 1 117 . 1 . 1 41 41 GLN N N 15 118.891 0.052 . 1 . . 660 . . 41 GLN N . 51687 1 118 . 1 . 1 42 42 GLN H H 1 8.332 0.002 . 1 . . 1125 . . 42 GLN H . 51687 1 119 . 1 . 1 42 42 GLN C C 13 176.018 . . 1 . . 1129 . . 42 GLN C . 51687 1 120 . 1 . 1 42 42 GLN CA C 13 56.087 . . 1 . . 1128 . . 42 GLN CA . 51687 1 121 . 1 . 1 42 42 GLN CB C 13 29.497 . . 1 . . 1127 . . 42 GLN CB . 51687 1 122 . 1 . 1 42 42 GLN N N 15 121.459 0.011 . 1 . . 1126 . . 42 GLN N . 51687 1 123 . 1 . 1 43 43 SER H H 1 8.288 0.001 . 1 . . 910 . . 43 SER H . 51687 1 124 . 1 . 1 43 43 SER C C 13 174.563 . . 1 . . 914 . . 43 SER C . 51687 1 125 . 1 . 1 43 43 SER CA C 13 58.448 . . 1 . . 912 . . 43 SER CA . 51687 1 126 . 1 . 1 43 43 SER CB C 13 63.828 . . 1 . . 913 . . 43 SER CB . 51687 1 127 . 1 . 1 43 43 SER N N 15 116.713 0.01 . 1 . . 911 . . 43 SER N . 51687 1 128 . 1 . 1 44 44 SER H H 1 8.352 0.014 . 1 . . 908 . . 44 SER H . 51687 1 129 . 1 . 1 44 44 SER C C 13 174.650 0.031 . 1 . . 895 . . 44 SER C . 51687 1 130 . 1 . 1 44 44 SER CA C 13 58.487 0.033 . 1 . . 896 . . 44 SER CA . 51687 1 131 . 1 . 1 44 44 SER CB C 13 63.887 . . 1 . . 909 . . 44 SER CB . 51687 1 132 . 1 . 1 44 44 SER N N 15 117.715 0.019 . 1 . . 907 . . 44 SER N . 51687 1 133 . 1 . 1 45 45 VAL H H 1 7.966 0.004 . 1 . . 885 . . 45 VAL H . 51687 1 134 . 1 . 1 45 45 VAL C C 13 176.025 0.004 . 1 . . 887 . . 45 VAL C . 51687 1 135 . 1 . 1 45 45 VAL CA C 13 62.387 0.065 . 1 . . 888 . . 45 VAL CA . 51687 1 136 . 1 . 1 45 45 VAL CB C 13 32.716 . . 1 . . 889 . . 45 VAL CB . 51687 1 137 . 1 . 1 45 45 VAL N N 15 121.001 0.029 . 1 . . 886 . . 45 VAL N . 51687 1 138 . 1 . 1 46 46 ALA H H 1 8.161 0.006 . 1 . . 882 . . 46 ALA H . 51687 1 139 . 1 . 1 46 46 ALA C C 13 177.712 0.009 . 1 . . 840 . . 46 ALA C . 51687 1 140 . 1 . 1 46 46 ALA CA C 13 52.830 0.028 . 1 . . 841 . . 46 ALA CA . 51687 1 141 . 1 . 1 46 46 ALA CB C 13 19.065 . . 1 . . 884 . . 46 ALA CB . 51687 1 142 . 1 . 1 46 46 ALA N N 15 126.850 0.096 . 1 . . 883 . . 46 ALA N . 51687 1 143 . 1 . 1 47 47 GLN H H 1 8.165 0.003 . 1 . . 683 . . 47 GLN H . 51687 1 144 . 1 . 1 47 47 GLN C C 13 176.087 0.007 . 1 . . 685 . . 47 GLN C . 51687 1 145 . 1 . 1 47 47 GLN CA C 13 56.082 0.065 . 1 . . 686 . . 47 GLN CA . 51687 1 146 . 1 . 1 47 47 GLN CB C 13 29.438 . . 1 . . 687 . . 47 GLN CB . 51687 1 147 . 1 . 1 47 47 GLN N N 15 118.727 0.017 . 1 . . 684 . . 47 GLN N . 51687 1 148 . 1 . 1 48 48 SER H H 1 8.224 0.006 . 1 . . 678 . . 48 SER H . 51687 1 149 . 1 . 1 48 48 SER C C 13 174.441 . . 1 . . 682 . . 48 SER C . 51687 1 150 . 1 . 1 48 48 SER CA C 13 58.669 . . 1 . . 680 . . 48 SER CA . 51687 1 151 . 1 . 1 48 48 SER CB C 13 63.880 . . 1 . . 681 . . 48 SER CB . 51687 1 152 . 1 . 1 48 48 SER N N 15 116.488 0.055 . 1 . . 679 . . 48 SER N . 51687 1 153 . 1 . 1 49 49 GLN C C 13 175.959 0.018 . 1 . . 822 . . 49 GLN C . 51687 1 154 . 1 . 1 49 49 GLN CA C 13 56.130 0.006 . 1 . . 823 . . 49 GLN CA . 51687 1 155 . 1 . 1 50 50 GLN H H 1 8.287 0.004 . 1 . . 471 . . 50 GLN H . 51687 1 156 . 1 . 1 50 50 GLN C C 13 176.138 0.005 . 1 . . 472 . . 50 GLN C . 51687 1 157 . 1 . 1 50 50 GLN CA C 13 56.138 0.024 . 1 . . 473 . . 50 GLN CA . 51687 1 158 . 1 . 1 50 50 GLN CB C 13 29.447 . . 1 . . 474 . . 50 GLN CB . 51687 1 159 . 1 . 1 50 50 GLN N N 15 121.089 0.063 . 1 . . 1080 . . 50 GLN N . 51687 1 160 . 1 . 1 51 51 THR H H 1 8.116 0.003 . 1 . . 467 . . 51 THR H . 51687 1 161 . 1 . 1 51 51 THR C C 13 174.429 0.005 . 1 . . 468 . . 51 THR C . 51687 1 162 . 1 . 1 51 51 THR CA C 13 61.912 0.053 . 1 . . 469 . . 51 THR CA . 51687 1 163 . 1 . 1 51 51 THR CB C 13 69.962 . . 1 . . 470 . . 51 THR CB . 51687 1 164 . 1 . 1 51 51 THR N N 15 115.101 0.079 . 1 . . 1078 . . 51 THR N . 51687 1 165 . 1 . 1 52 52 SER H H 1 8.174 0.002 . 1 . . 878 . . 52 SER H . 51687 1 166 . 1 . 1 52 52 SER C C 13 174.096 0.004 . 1 . . 790 . . 52 SER C . 51687 1 167 . 1 . 1 52 52 SER CA C 13 58.317 . . 1 . . 880 . . 52 SER CA . 51687 1 168 . 1 . 1 52 52 SER CB C 13 63.872 . . 1 . . 881 . . 52 SER CB . 51687 1 169 . 1 . 1 52 52 SER N N 15 117.670 0.026 . 1 . . 879 . . 52 SER N . 51687 1 170 . 1 . 1 53 53 TYR H H 1 8.125 0.003 . 1 . . 427 . . 53 TYR H . 51687 1 171 . 1 . 1 53 53 TYR C C 13 175.751 0.005 . 1 . . 431 . . 53 TYR C . 51687 1 172 . 1 . 1 53 53 TYR CA C 13 58.075 0.016 . 1 . . 430 . . 53 TYR CA . 51687 1 173 . 1 . 1 53 53 TYR CB C 13 38.856 . . 1 . . 429 . . 53 TYR CB . 51687 1 174 . 1 . 1 53 53 TYR N N 15 122.272 0.017 . 1 . . 428 . . 53 TYR N . 51687 1 175 . 1 . 1 54 54 SER H H 1 8.038 0.004 . 1 . . 432 . . 54 SER H . 51687 1 176 . 1 . 1 54 54 SER C C 13 173.959 0.005 . 1 . . 434 . . 54 SER C . 51687 1 177 . 1 . 1 54 54 SER CA C 13 58.008 0.037 . 1 . . 435 . . 54 SER CA . 51687 1 178 . 1 . 1 54 54 SER CB C 13 63.996 . . 1 . . 436 . . 54 SER CB . 51687 1 179 . 1 . 1 54 54 SER N N 15 117.561 0.053 . 1 . . 433 . . 54 SER N . 51687 1 180 . 1 . 1 55 55 ALA H H 1 8.143 0.002 . 1 . . 437 . . 55 ALA H . 51687 1 181 . 1 . 1 55 55 ALA C C 13 177.439 0.013 . 1 . . 439 . . 55 ALA C . 51687 1 182 . 1 . 1 55 55 ALA CA C 13 52.583 0.072 . 1 . . 440 . . 55 ALA CA . 51687 1 183 . 1 . 1 55 55 ALA CB C 13 19.216 . . 1 . . 441 . . 55 ALA CB . 51687 1 184 . 1 . 1 55 55 ALA N N 15 126.098 0.039 . 1 . . 438 . . 55 ALA N . 51687 1 185 . 1 . 1 56 56 ALA H H 1 8.113 0.004 . 1 . . 422 . . 56 ALA H . 51687 1 186 . 1 . 1 56 56 ALA C C 13 178.043 0.008 . 1 . . 424 . . 56 ALA C . 51687 1 187 . 1 . 1 56 56 ALA CA C 13 52.739 0.021 . 1 . . 425 . . 56 ALA CA . 51687 1 188 . 1 . 1 56 56 ALA CB C 13 19.210 . . 1 . . 426 . . 56 ALA CB . 51687 1 189 . 1 . 1 56 56 ALA N N 15 122.571 0.044 . 1 . . 423 . . 56 ALA N . 51687 1 190 . 1 . 1 57 57 THR H H 1 7.945 0.004 . 1 . . 413 . . 57 THR H . 51687 1 191 . 1 . 1 57 57 THR C C 13 174.403 0.006 . 1 . . 414 . . 57 THR C . 51687 1 192 . 1 . 1 57 57 THR CA C 13 61.996 0.071 . 1 . . 415 . . 57 THR CA . 51687 1 193 . 1 . 1 57 57 THR CB C 13 69.854 . . 1 . . 416 . . 57 THR CB . 51687 1 194 . 1 . 1 57 57 THR N N 15 112.403 0.03 . 1 . . 789 . . 57 THR N . 51687 1 195 . 1 . 1 58 58 ASN H H 1 8.286 0.004 . 1 . . 417 . . 58 ASN H . 51687 1 196 . 1 . 1 58 58 ASN C C 13 174.905 0.006 . 1 . . 418 . . 58 ASN C . 51687 1 197 . 1 . 1 58 58 ASN CA C 13 53.246 0.067 . 1 . . 420 . . 58 ASN CA . 51687 1 198 . 1 . 1 58 58 ASN CB C 13 38.977 . . 1 . . 421 . . 58 ASN CB . 51687 1 199 . 1 . 1 58 58 ASN N N 15 120.654 0.029 . 1 . . 419 . . 58 ASN N . 51687 1 200 . 1 . 1 59 59 ALA H H 1 8.194 0.003 . 1 . . 47 . . 59 ALA H . 51687 1 201 . 1 . 1 59 59 ALA C C 13 178.115 0.012 . 1 . . 230 . . 59 ALA C . 51687 1 202 . 1 . 1 59 59 ALA CA C 13 52.916 0.087 . 1 . . 49 . . 59 ALA CA . 51687 1 203 . 1 . 1 59 59 ALA CB C 13 19.163 . . 1 . . 50 . . 59 ALA CB . 51687 1 204 . 1 . 1 59 59 ALA N N 15 124.315 0.039 . 1 . . 48 . . 59 ALA N . 51687 1 205 . 1 . 1 60 60 GLY H H 1 8.287 0.002 . 1 . . 44 . . 60 GLY H . 51687 1 206 . 1 . 1 60 60 GLY C C 13 174.298 0.003 . 1 . . 597 . . 60 GLY C . 51687 1 207 . 1 . 1 60 60 GLY CA C 13 45.386 0.078 . 1 . . 46 . . 60 GLY CA . 51687 1 208 . 1 . 1 60 60 GLY N N 15 107.784 0.027 . 1 . . 45 . . 60 GLY N . 51687 1 209 . 1 . 1 61 61 SER H H 1 8.074 0.001 . 1 . . 592 . . 61 SER H . 51687 1 210 . 1 . 1 61 61 SER C C 13 174.651 0.009 . 1 . . 594 . . 61 SER C . 51687 1 211 . 1 . 1 61 61 SER CA C 13 58.393 0.054 . 1 . . 596 . . 61 SER CA . 51687 1 212 . 1 . 1 61 61 SER CB C 13 64.049 . . 1 . . 595 . . 61 SER CB . 51687 1 213 . 1 . 1 61 61 SER N N 15 115.261 0.016 . 1 . . 593 . . 61 SER N . 51687 1 214 . 1 . 1 62 62 SER H H 1 8.281 0.004 . 1 . . 644 . . 62 SER H . 51687 1 215 . 1 . 1 62 62 SER C C 13 174.545 . . 1 . . 648 . . 62 SER C . 51687 1 216 . 1 . 1 62 62 SER CA C 13 58.520 . . 1 . . 646 . . 62 SER CA . 51687 1 217 . 1 . 1 62 62 SER CB C 13 63.913 . . 1 . . 647 . . 62 SER CB . 51687 1 218 . 1 . 1 62 62 SER N N 15 117.723 0.013 . 1 . . 645 . . 62 SER N . 51687 1 219 . 1 . 1 63 63 VAL H H 1 8.065 0.003 . 1 . . 635 . . 63 VAL H . 51687 1 220 . 1 . 1 63 63 VAL C C 13 176.291 0.016 . 1 . . 637 . . 63 VAL C . 51687 1 221 . 1 . 1 63 63 VAL CA C 13 62.495 0.012 . 1 . . 638 . . 63 VAL CA . 51687 1 222 . 1 . 1 63 63 VAL CB C 13 32.715 . . 1 . . 639 . . 63 VAL CB . 51687 1 223 . 1 . 1 63 63 VAL N N 15 120.980 0.015 . 1 . . 636 . . 63 VAL N . 51687 1 224 . 1 . 1 64 64 SER H H 1 8.228 0.009 . 1 . . 550 . . 64 SER H . 51687 1 225 . 1 . 1 64 64 SER C C 13 174.670 0.013 . 1 . . 552 . . 64 SER C . 51687 1 226 . 1 . 1 64 64 SER CA C 13 58.455 0.049 . 1 . . 553 . . 64 SER CA . 51687 1 227 . 1 . 1 64 64 SER CB C 13 63.844 . . 1 . . 554 . . 64 SER CB . 51687 1 228 . 1 . 1 64 64 SER N N 15 118.672 0.052 . 1 . . 551 . . 64 SER N . 51687 1 229 . 1 . 1 65 65 GLN H H 1 8.312 0.004 . 1 . . 611 . . 65 GLN H . 51687 1 230 . 1 . 1 65 65 GLN C C 13 175.994 0.012 . 1 . . 613 . . 65 GLN C . 51687 1 231 . 1 . 1 65 65 GLN CA C 13 56.031 0.015 . 1 . . 612 . . 65 GLN CA . 51687 1 232 . 1 . 1 65 65 GLN CB C 13 29.563 . . 1 . . 610 . . 65 GLN CB . 51687 1 233 . 1 . 1 65 65 GLN N N 15 122.270 0.074 . 1 . . 609 . . 65 GLN N . 51687 1 234 . 1 . 1 66 66 SER H H 1 8.280 0.01 . 1 . . 604 . . 66 SER H . 51687 1 235 . 1 . 1 66 66 SER C C 13 174.534 0.033 . 1 . . 608 . . 66 SER C . 51687 1 236 . 1 . 1 66 66 SER CA C 13 58.533 0.084 . 1 . . 606 . . 66 SER CA . 51687 1 237 . 1 . 1 66 66 SER CB C 13 63.912 . . 1 . . 607 . . 66 SER CB . 51687 1 238 . 1 . 1 66 66 SER N N 15 116.752 0.036 . 1 . . 605 . . 66 SER N . 51687 1 239 . 1 . 1 67 67 GLN H H 1 8.242 0.003 . 1 . . 600 . . 67 GLN H . 51687 1 240 . 1 . 1 67 67 GLN C C 13 175.484 0.014 . 1 . . 847 . . 67 GLN C . 51687 1 241 . 1 . 1 67 67 GLN CA C 13 55.877 0.023 . 1 . . 602 . . 67 GLN CA . 51687 1 242 . 1 . 1 67 67 GLN CB C 13 29.537 . . 1 . . 603 . . 67 GLN CB . 51687 1 243 . 1 . 1 67 67 GLN N N 15 121.843 0.082 . 1 . . 601 . . 67 GLN N . 51687 1 244 . 1 . 1 68 68 ALA H H 1 8.140 0.002 . 1 . . 842 . . 68 ALA H . 51687 1 245 . 1 . 1 68 68 ALA C C 13 177.403 0.005 . 1 . . 846 . . 68 ALA C . 51687 1 246 . 1 . 1 68 68 ALA CA C 13 52.531 0.063 . 1 . . 845 . . 68 ALA CA . 51687 1 247 . 1 . 1 68 68 ALA CB C 13 19.239 . . 1 . . 844 . . 68 ALA CB . 51687 1 248 . 1 . 1 68 68 ALA N N 15 124.814 0.028 . 1 . . 843 . . 68 ALA N . 51687 1 249 . 1 . 1 69 69 ILE H H 1 7.981 0.003 . 1 . . 830 . . 69 ILE H . 51687 1 250 . 1 . 1 69 69 ILE C C 13 176.274 . . 1 . . 834 . . 69 ILE C . 51687 1 251 . 1 . 1 69 69 ILE CA C 13 61.066 0.011 . 1 . . 833 . . 69 ILE CA . 51687 1 252 . 1 . 1 69 69 ILE CB C 13 38.733 . . 1 . . 832 . . 69 ILE CB . 51687 1 253 . 1 . 1 69 69 ILE N N 15 120.079 0.038 . 1 . . 831 . . 69 ILE N . 51687 1 254 . 1 . 1 70 70 VAL H H 1 8.118 0.001 . 1 . . 761 . . 70 VAL H . 51687 1 255 . 1 . 1 70 70 VAL C C 13 176.003 0.003 . 1 . . 765 . . 70 VAL C . 51687 1 256 . 1 . 1 70 70 VAL CA C 13 62.202 0.072 . 1 . . 764 . . 70 VAL CA . 51687 1 257 . 1 . 1 70 70 VAL CB C 13 32.854 . . 1 . . 763 . . 70 VAL CB . 51687 1 258 . 1 . 1 70 70 VAL N N 15 124.155 0.044 . 1 . . 762 . . 70 VAL N . 51687 1 259 . 1 . 1 71 71 SER H H 1 8.294 0.005 . 1 . . 890 . . 71 SER H . 51687 1 260 . 1 . 1 71 71 SER C C 13 174.335 . . 1 . . 894 . . 71 SER C . 51687 1 261 . 1 . 1 71 71 SER CA C 13 58.358 . . 1 . . 892 . . 71 SER CA . 51687 1 262 . 1 . 1 71 71 SER CB C 13 63.987 . . 1 . . 893 . . 71 SER CB . 51687 1 263 . 1 . 1 71 71 SER N N 15 119.537 0.069 . 1 . . 891 . . 71 SER N . 51687 1 264 . 1 . 1 72 72 SER C C 13 173.586 0.009 . 1 . . 826 . . 72 SER C . 51687 1 265 . 1 . 1 72 72 SER CA C 13 57.991 0.05 . 1 . . 827 . . 72 SER CA . 51687 1 266 . 1 . 1 73 73 ALA H H 1 8.123 0.004 . 1 . . 766 . . 73 ALA H . 51687 1 267 . 1 . 1 73 73 ALA C C 13 175.283 0.015 . 1 . . 770 . . 73 ALA C . 51687 1 268 . 1 . 1 73 73 ALA CA C 13 50.623 0.021 . 1 . . 768 . . 73 ALA CA . 51687 1 269 . 1 . 1 73 73 ALA CB C 13 18.322 . . 1 . . 769 . . 73 ALA CB . 51687 1 270 . 1 . 1 73 73 ALA N N 15 126.774 0.031 . 1 . . 767 . . 73 ALA N . 51687 1 271 . 1 . 1 74 74 PRO C C 13 176.226 0.019 . 1 . . 852 . . 74 PRO C . 51687 1 272 . 1 . 1 74 74 PRO CA C 13 62.465 . . 1 . . 853 . . 74 PRO CA . 51687 1 273 . 1 . 1 74 74 PRO N N 15 135.534 0.017 . 1 . . 854 . . 74 PRO N . 51687 1 274 . 1 . 1 75 75 VAL H H 1 7.921 0.002 . 1 . . 848 . . 75 VAL H . 51687 1 275 . 1 . 1 75 75 VAL C C 13 175.126 . . 1 . . 855 . . 75 VAL C . 51687 1 276 . 1 . 1 75 75 VAL CA C 13 62.102 . . 1 . . 850 . . 75 VAL CA . 51687 1 277 . 1 . 1 75 75 VAL CB C 13 32.991 . . 1 . . 851 . . 75 VAL CB . 51687 1 278 . 1 . 1 75 75 VAL N N 15 118.630 0.034 . 1 . . 849 . . 75 VAL N . 51687 1 279 . 1 . 1 76 76 TYR H H 1 7.992 0.006 . 1 . . 225 . . 76 TYR H . 51687 1 280 . 1 . 1 76 76 TYR C C 13 175.135 0.016 . 1 . . 227 . . 76 TYR C . 51687 1 281 . 1 . 1 76 76 TYR CA C 13 56.467 0.033 . 1 . . 228 . . 76 TYR CA . 51687 1 282 . 1 . 1 76 76 TYR CB C 13 40.223 . . 1 . . 229 . . 76 TYR CB . 51687 1 283 . 1 . 1 76 76 TYR N N 15 121.612 0.044 . 1 . . 226 . . 76 TYR N . 51687 1 284 . 1 . 1 77 77 PHE H H 1 8.834 0.011 . 1 . . 220 . . 77 PHE H . 51687 1 285 . 1 . 1 77 77 PHE C C 13 174.171 0.012 . 1 . . 224 . . 77 PHE C . 51687 1 286 . 1 . 1 77 77 PHE CA C 13 58.563 0.066 . 1 . . 222 . . 77 PHE CA . 51687 1 287 . 1 . 1 77 77 PHE CB C 13 40.218 . . 1 . . 223 . . 77 PHE CB . 51687 1 288 . 1 . 1 77 77 PHE N N 15 124.011 0.04 . 1 . . 221 . . 77 PHE N . 51687 1 289 . 1 . 1 78 78 ASN H H 1 9.742 0.005 . 1 . . 215 . . 78 ASN H . 51687 1 290 . 1 . 1 78 78 ASN C C 13 174.522 0.003 . 1 . . 217 . . 78 ASN C . 51687 1 291 . 1 . 1 78 78 ASN CA C 13 51.878 0.014 . 1 . . 218 . . 78 ASN CA . 51687 1 292 . 1 . 1 78 78 ASN CB C 13 38.203 . . 1 . . 219 . . 78 ASN CB . 51687 1 293 . 1 . 1 78 78 ASN N N 15 129.766 0.03 . 1 . . 216 . . 78 ASN N . 51687 1 294 . 1 . 1 79 79 SER H H 1 8.372 0.002 . 1 . . 211 . . 79 SER H . 51687 1 295 . 1 . 1 79 79 SER CA C 13 62.700 . . 1 . . 214 . . 79 SER CA . 51687 1 296 . 1 . 1 79 79 SER CB C 13 61.746 . . 1 . . 213 . . 79 SER CB . 51687 1 297 . 1 . 1 79 79 SER N N 15 120.501 0.06 . 1 . . 212 . . 79 SER N . 51687 1 298 . 1 . 1 80 80 GLN H H 1 8.280 0.002 . 1 . . 649 . . 80 GLN H . 51687 1 299 . 1 . 1 80 80 GLN C C 13 177.787 0.01 . 1 . . 651 . . 80 GLN C . 51687 1 300 . 1 . 1 80 80 GLN CA C 13 59.130 0.074 . 1 . . 653 . . 80 GLN CA . 51687 1 301 . 1 . 1 80 80 GLN CB C 13 28.100 . . 1 . . 652 . . 80 GLN CB . 51687 1 302 . 1 . 1 80 80 GLN N N 15 122.788 0.054 . 1 . . 650 . . 80 GLN N . 51687 1 303 . 1 . 1 81 81 THR H H 1 7.618 0.006 . 1 . . 314 . . 81 THR H . 51687 1 304 . 1 . 1 81 81 THR C C 13 176.645 0.011 . 1 . . 320 . . 81 THR C . 51687 1 305 . 1 . 1 81 81 THR CA C 13 66.112 0.132 . 1 . . 316 . . 81 THR CA . 51687 1 306 . 1 . 1 81 81 THR CB C 13 68.390 . . 1 . . 317 . . 81 THR CB . 51687 1 307 . 1 . 1 81 81 THR N N 15 116.700 0.038 . 1 . . 315 . . 81 THR N . 51687 1 308 . 1 . 1 82 82 LEU H H 1 7.088 0.004 . 1 . . 318 . . 82 LEU H . 51687 1 309 . 1 . 1 82 82 LEU C C 13 177.111 0.004 . 1 . . 321 . . 82 LEU C . 51687 1 310 . 1 . 1 82 82 LEU CA C 13 59.114 0.048 . 1 . . 322 . . 82 LEU CA . 51687 1 311 . 1 . 1 82 82 LEU CB C 13 41.484 . . 1 . . 323 . . 82 LEU CB . 51687 1 312 . 1 . 1 82 82 LEU N N 15 121.376 0.042 . 1 . . 319 . . 82 LEU N . 51687 1 313 . 1 . 1 83 83 THR H H 1 8.586 0.003 . 1 . . 325 . . 83 THR H . 51687 1 314 . 1 . 1 83 83 THR C C 13 175.813 0.017 . 1 . . 326 . . 83 THR C . 51687 1 315 . 1 . 1 83 83 THR CA C 13 67.162 0.034 . 1 . . 327 . . 83 THR CA . 51687 1 316 . 1 . 1 83 83 THR CB C 13 68.491 . . 1 . . 328 . . 83 THR CB . 51687 1 317 . 1 . 1 83 83 THR N N 15 115.113 0.071 . 1 . . 324 . . 83 THR N . 51687 1 318 . 1 . 1 84 84 ASN H H 1 8.586 0.003 . 1 . . 329 . . 84 ASN H . 51687 1 319 . 1 . 1 84 84 ASN C C 13 178.300 0.011 . 1 . . 331 . . 84 ASN C . 51687 1 320 . 1 . 1 84 84 ASN CA C 13 56.162 0.025 . 1 . . 332 . . 84 ASN CA . 51687 1 321 . 1 . 1 84 84 ASN CB C 13 37.897 . . 1 . . 333 . . 84 ASN CB . 51687 1 322 . 1 . 1 84 84 ASN N N 15 119.123 0.034 . 1 . . 330 . . 84 ASN N . 51687 1 323 . 1 . 1 85 85 ASN H H 1 8.019 0.006 . 1 . . 334 . . 85 ASN H . 51687 1 324 . 1 . 1 85 85 ASN C C 13 177.728 0.005 . 1 . . 336 . . 85 ASN C . 51687 1 325 . 1 . 1 85 85 ASN CA C 13 56.596 0.04 . 1 . . 337 . . 85 ASN CA . 51687 1 326 . 1 . 1 85 85 ASN CB C 13 38.929 . . 1 . . 338 . . 85 ASN CB . 51687 1 327 . 1 . 1 85 85 ASN N N 15 118.600 0.042 . 1 . . 335 . . 85 ASN N . 51687 1 328 . 1 . 1 86 86 LEU H H 1 8.428 0.002 . 1 . . 339 . . 86 LEU H . 51687 1 329 . 1 . 1 86 86 LEU C C 13 177.636 0.01 . 1 . . 795 . . 86 LEU C . 51687 1 330 . 1 . 1 86 86 LEU CA C 13 57.567 0.074 . 1 . . 342 . . 86 LEU CA . 51687 1 331 . 1 . 1 86 86 LEU CB C 13 42.561 . . 1 . . 341 . . 86 LEU CB . 51687 1 332 . 1 . 1 86 86 LEU N N 15 120.371 0.027 . 1 . . 340 . . 86 LEU N . 51687 1 333 . 1 . 1 87 87 ALA H H 1 8.888 0.002 . 1 . . 343 . . 87 ALA H . 51687 1 334 . 1 . 1 87 87 ALA C C 13 179.723 0.007 . 1 . . 345 . . 87 ALA C . 51687 1 335 . 1 . 1 87 87 ALA CA C 13 55.811 0.082 . 1 . . 346 . . 87 ALA CA . 51687 1 336 . 1 . 1 87 87 ALA CB C 13 17.762 . . 1 . . 347 . . 87 ALA CB . 51687 1 337 . 1 . 1 87 87 ALA N N 15 121.317 0.031 . 1 . . 344 . . 87 ALA N . 51687 1 338 . 1 . 1 88 88 SER H H 1 7.532 0.002 . 1 . . 348 . . 88 SER H . 51687 1 339 . 1 . 1 88 88 SER C C 13 177.174 0.011 . 1 . . 350 . . 88 SER C . 51687 1 340 . 1 . 1 88 88 SER CA C 13 61.266 0.024 . 1 . . 351 . . 88 SER CA . 51687 1 341 . 1 . 1 88 88 SER CB C 13 62.960 . . 1 . . 352 . . 88 SER CB . 51687 1 342 . 1 . 1 88 88 SER N N 15 109.794 0.031 . 1 . . 349 . . 88 SER N . 51687 1 343 . 1 . 1 89 89 SER H H 1 7.826 0.007 . 1 . . 353 . . 89 SER H . 51687 1 344 . 1 . 1 89 89 SER C C 13 177.035 0.013 . 1 . . 533 . . 89 SER C . 51687 1 345 . 1 . 1 89 89 SER CA C 13 61.791 0.116 . 1 . . 356 . . 89 SER CA . 51687 1 346 . 1 . 1 89 89 SER CB C 13 62.874 . . 1 . . 355 . . 89 SER CB . 51687 1 347 . 1 . 1 89 89 SER N N 15 117.504 0.043 . 1 . . 354 . . 89 SER N . 51687 1 348 . 1 . 1 90 90 LEU H H 1 8.523 0.002 . 1 . . 534 . . 90 LEU H . 51687 1 349 . 1 . 1 90 90 LEU C C 13 177.901 0.01 . 1 . . 536 . . 90 LEU C . 51687 1 350 . 1 . 1 90 90 LEU CA C 13 57.216 0.046 . 1 . . 537 . . 90 LEU CA . 51687 1 351 . 1 . 1 90 90 LEU CB C 13 42.196 . . 1 . . 538 . . 90 LEU CB . 51687 1 352 . 1 . 1 90 90 LEU N N 15 122.792 0.076 . 1 . . 535 . . 90 LEU N . 51687 1 353 . 1 . 1 91 91 GLN H H 1 7.375 0.001 . 1 . . 539 . . 91 GLN H . 51687 1 354 . 1 . 1 91 91 GLN C C 13 176.803 0.008 . 1 . . 543 . . 91 GLN C . 51687 1 355 . 1 . 1 91 91 GLN CA C 13 58.663 0.073 . 1 . . 542 . . 91 GLN CA . 51687 1 356 . 1 . 1 91 91 GLN CB C 13 28.396 . . 1 . . 541 . . 91 GLN CB . 51687 1 357 . 1 . 1 91 91 GLN N N 15 115.148 0.057 . 1 . . 540 . . 91 GLN N . 51687 1 358 . 1 . 1 92 92 SER H H 1 7.354 0.004 . 1 . . 408 . . 92 SER H . 51687 1 359 . 1 . 1 92 92 SER C C 13 174.228 0.009 . 1 . . 410 . . 92 SER C . 51687 1 360 . 1 . 1 92 92 SER CA C 13 58.294 0.103 . 1 . . 412 . . 92 SER CA . 51687 1 361 . 1 . 1 92 92 SER CB C 13 63.872 . . 1 . . 411 . . 92 SER CB . 51687 1 362 . 1 . 1 92 92 SER N N 15 111.340 0.071 . 1 . . 409 . . 92 SER N . 51687 1 363 . 1 . 1 93 93 LEU H H 1 7.707 0.001 . 1 . . 625 . . 93 LEU H . 51687 1 364 . 1 . 1 93 93 LEU C C 13 177.843 0.0 . 1 . . 629 . . 93 LEU C . 51687 1 365 . 1 . 1 93 93 LEU CA C 13 55.048 0.03 . 1 . . 627 . . 93 LEU CA . 51687 1 366 . 1 . 1 93 93 LEU CB C 13 41.305 . . 1 . . 628 . . 93 LEU CB . 51687 1 367 . 1 . 1 93 93 LEU N N 15 123.562 0.05 . 1 . . 626 . . 93 LEU N . 51687 1 368 . 1 . 1 95 95 ALA C C 13 178.592 . . 1 . . 824 . . 95 ALA C . 51687 1 369 . 1 . 1 95 95 ALA CA C 13 54.305 . . 1 . . 825 . . 95 ALA CA . 51687 1 370 . 1 . 1 96 96 LEU H H 1 7.345 0.002 . 1 . . 37 . . 96 LEU H . 51687 1 371 . 1 . 1 96 96 LEU C C 13 179.065 0.006 . 1 . . 549 . . 96 LEU C . 51687 1 372 . 1 . 1 96 96 LEU CA C 13 57.469 0.07 . 1 . . 40 . . 96 LEU CA . 51687 1 373 . 1 . 1 96 96 LEU CB C 13 40.426 . . 1 . . 39 . . 96 LEU CB . 51687 1 374 . 1 . 1 96 96 LEU N N 15 112.868 0.057 . 1 . . 38 . . 96 LEU N . 51687 1 375 . 1 . 1 97 97 ASN H H 1 7.929 0.004 . 1 . . 33 . . 97 ASN H . 51687 1 376 . 1 . 1 97 97 ASN C C 13 176.772 0.011 . 1 . . 548 . . 97 ASN C . 51687 1 377 . 1 . 1 97 97 ASN CA C 13 56.246 0.028 . 1 . . 35 . . 97 ASN CA . 51687 1 378 . 1 . 1 97 97 ASN CB C 13 38.372 . . 1 . . 36 . . 97 ASN CB . 51687 1 379 . 1 . 1 97 97 ASN N N 15 117.633 0.032 . 1 . . 34 . . 97 ASN N . 51687 1 380 . 1 . 1 98 98 TYR H H 1 7.459 0.002 . 1 . . 29 . . 98 TYR H . 51687 1 381 . 1 . 1 98 98 TYR C C 13 176.895 0.012 . 1 . . 547 . . 98 TYR C . 51687 1 382 . 1 . 1 98 98 TYR CA C 13 59.356 0.048 . 1 . . 31 . . 98 TYR CA . 51687 1 383 . 1 . 1 98 98 TYR CB C 13 37.630 . . 1 . . 32 . . 98 TYR CB . 51687 1 384 . 1 . 1 98 98 TYR N N 15 116.998 0.029 . 1 . . 30 . . 98 TYR N . 51687 1 385 . 1 . 1 99 99 VAL H H 1 7.399 0.002 . 1 . . 25 . . 99 VAL H . 51687 1 386 . 1 . 1 99 99 VAL C C 13 179.310 0.013 . 1 . . 546 . . 99 VAL C . 51687 1 387 . 1 . 1 99 99 VAL CA C 13 64.333 0.051 . 1 . . 27 . . 99 VAL CA . 51687 1 388 . 1 . 1 99 99 VAL CB C 13 31.362 . . 1 . . 28 . . 99 VAL CB . 51687 1 389 . 1 . 1 99 99 VAL N N 15 118.655 0.056 . 1 . . 26 . . 99 VAL N . 51687 1 390 . 1 . 1 100 100 SER H H 1 7.850 0.003 . 1 . . 21 . . 100 SER H . 51687 1 391 . 1 . 1 100 100 SER C C 13 175.719 0.012 . 1 . . 545 . . 100 SER C . 51687 1 392 . 1 . 1 100 100 SER CA C 13 61.317 0.079 . 1 . . 24 . . 100 SER CA . 51687 1 393 . 1 . 1 100 100 SER CB C 13 63.176 . . 1 . . 23 . . 100 SER CB . 51687 1 394 . 1 . 1 100 100 SER N N 15 115.575 0.025 . 1 . . 22 . . 100 SER N . 51687 1 395 . 1 . 1 101 101 ASN H H 1 7.781 0.005 . 1 . . 17 . . 101 ASN H . 51687 1 396 . 1 . 1 101 101 ASN C C 13 176.553 0.01 . 1 . . 544 . . 101 ASN C . 51687 1 397 . 1 . 1 101 101 ASN CA C 13 52.854 0.087 . 1 . . 20 . . 101 ASN CA . 51687 1 398 . 1 . 1 101 101 ASN CB C 13 38.353 . . 1 . . 19 . . 101 ASN CB . 51687 1 399 . 1 . 1 101 101 ASN N N 15 114.815 0.048 . 1 . . 18 . . 101 ASN N . 51687 1 400 . 1 . 1 102 102 GLY H H 1 7.725 0.002 . 1 . . 5 . . 102 GLY H . 51687 1 401 . 1 . 1 102 102 GLY C C 13 174.759 0.007 . 1 . . 8 . . 102 GLY C . 51687 1 402 . 1 . 1 102 102 GLY CA C 13 45.910 0.073 . 1 . . 7 . . 102 GLY CA . 51687 1 403 . 1 . 1 102 102 GLY N N 15 106.520 0.024 . 1 . . 6 . . 102 GLY N . 51687 1 404 . 1 . 1 103 103 GLN H H 1 8.273 0.002 . 1 . . 41 . . 103 GLN H . 51687 1 405 . 1 . 1 103 103 GLN C C 13 176.004 0.008 . 1 . . 599 . . 103 GLN C . 51687 1 406 . 1 . 1 103 103 GLN CA C 13 58.355 0.031 . 1 . . 598 . . 103 GLN CA . 51687 1 407 . 1 . 1 103 103 GLN CB C 13 29.574 . . 1 . . 43 . . 103 GLN CB . 51687 1 408 . 1 . 1 103 103 GLN N N 15 119.790 0.037 . 1 . . 42 . . 103 GLN N . 51687 1 409 . 1 . 1 104 104 LEU H H 1 7.632 0.002 . 1 . . 395 . . 104 LEU H . 51687 1 410 . 1 . 1 104 104 LEU C C 13 175.597 0.001 . 1 . . 397 . . 104 LEU C . 51687 1 411 . 1 . 1 104 104 LEU CA C 13 53.147 0.064 . 1 . . 398 . . 104 LEU CA . 51687 1 412 . 1 . 1 104 104 LEU CB C 13 45.089 . . 1 . . 399 . . 104 LEU CB . 51687 1 413 . 1 . 1 104 104 LEU N N 15 117.788 0.048 . 1 . . 396 . . 104 LEU N . 51687 1 414 . 1 . 1 105 105 SER H H 1 9.204 0.002 . 1 . . 400 . . 105 SER H . 51687 1 415 . 1 . 1 105 105 SER C C 13 175.730 . . 1 . . 402 . . 105 SER C . 51687 1 416 . 1 . 1 105 105 SER CA C 13 57.153 . . 1 . . 403 . . 105 SER CA . 51687 1 417 . 1 . 1 105 105 SER CB C 13 65.799 . . 1 . . 404 . . 105 SER CB . 51687 1 418 . 1 . 1 105 105 SER N N 15 118.832 0.044 . 1 . . 401 . . 105 SER N . 51687 1 419 . 1 . 1 106 106 SER H H 1 9.110 0.003 . 1 . . 482 . . 106 SER H . 51687 1 420 . 1 . 1 106 106 SER C C 13 176.829 . . 1 . . 1139 . . 106 SER C . 51687 1 421 . 1 . 1 106 106 SER CA C 13 62.404 . . 1 . . 484 . . 106 SER CA . 51687 1 422 . 1 . 1 106 106 SER N N 15 117.931 0.039 . 1 . . 483 . . 106 SER N . 51687 1 423 . 1 . 1 107 107 SER H H 1 8.157 0.002 . 1 . . 1135 . . 107 SER H . 51687 1 424 . 1 . 1 107 107 SER C C 13 177.102 . . 1 . . 803 . . 107 SER C . 51687 1 425 . 1 . 1 107 107 SER CA C 13 61.461 . . 1 . . 1137 . . 107 SER CA . 51687 1 426 . 1 . 1 107 107 SER CB C 13 62.271 . . 1 . . 1138 . . 107 SER CB . 51687 1 427 . 1 . 1 107 107 SER N N 15 116.668 0.01 . 1 . . 1136 . . 107 SER N . 51687 1 428 . 1 . 1 108 108 ASP H H 1 7.804 0.003 . 1 . . 565 . . 108 ASP H . 51687 1 429 . 1 . 1 108 108 ASP C C 13 179.430 0.009 . 1 . . 568 . . 108 ASP C . 51687 1 430 . 1 . 1 108 108 ASP CA C 13 57.403 0.078 . 1 . . 566 . . 108 ASP CA . 51687 1 431 . 1 . 1 108 108 ASP CB C 13 40.816 . . 1 . . 569 . . 108 ASP CB . 51687 1 432 . 1 . 1 108 108 ASP N N 15 123.325 0.054 . 1 . . 567 . . 108 ASP N . 51687 1 433 . 1 . 1 109 109 VAL H H 1 8.136 0.001 . 1 . . 560 . . 109 VAL H . 51687 1 434 . 1 . 1 109 109 VAL C C 13 176.821 0.007 . 1 . . 562 . . 109 VAL C . 51687 1 435 . 1 . 1 109 109 VAL CA C 13 67.235 0.01 . 1 . . 563 . . 109 VAL CA . 51687 1 436 . 1 . 1 109 109 VAL CB C 13 31.375 . . 1 . . 564 . . 109 VAL CB . 51687 1 437 . 1 . 1 109 109 VAL N N 15 121.443 0.039 . 1 . . 561 . . 109 VAL N . 51687 1 438 . 1 . 1 110 110 ALA H H 1 8.500 0.002 . 1 . . 555 . . 110 ALA H . 51687 1 439 . 1 . 1 110 110 ALA C C 13 179.050 0.008 . 1 . . 557 . . 110 ALA C . 51687 1 440 . 1 . 1 110 110 ALA CA C 13 56.153 0.021 . 1 . . 558 . . 110 ALA CA . 51687 1 441 . 1 . 1 110 110 ALA CB C 13 18.152 . . 1 . . 559 . . 110 ALA CB . 51687 1 442 . 1 . 1 110 110 ALA N N 15 120.862 0.039 . 1 . . 556 . . 110 ALA N . 51687 1 443 . 1 . 1 111 111 SER H H 1 8.075 0.003 . 1 . . 183 . . 111 SER H . 51687 1 444 . 1 . 1 111 111 SER C C 13 176.909 . . 1 . . 794 . . 111 SER C . 51687 1 445 . 1 . 1 111 111 SER CA C 13 61.292 . . 1 . . 185 . . 111 SER CA . 51687 1 446 . 1 . 1 111 111 SER CB C 13 62.911 . . 1 . . 95 . . 111 SER CB . 51687 1 447 . 1 . 1 111 111 SER N N 15 110.810 0.023 . 1 . . 184 . . 111 SER N . 51687 1 448 . 1 . 1 112 112 THR H H 1 7.736 0.005 . 1 . . 178 . . 112 THR H . 51687 1 449 . 1 . 1 112 112 THR C C 13 176.268 0.014 . 1 . . 182 . . 112 THR C . 51687 1 450 . 1 . 1 112 112 THR CA C 13 67.366 0.044 . 1 . . 180 . . 112 THR CA . 51687 1 451 . 1 . 1 112 112 THR CB C 13 68.371 . . 1 . . 181 . . 112 THR CB . 51687 1 452 . 1 . 1 112 112 THR N N 15 119.702 0.024 . 1 . . 179 . . 112 THR N . 51687 1 453 . 1 . 1 113 113 VAL H H 1 8.430 0.003 . 1 . . 156 . . 113 VAL H . 51687 1 454 . 1 . 1 113 113 VAL C C 13 177.087 0.003 . 1 . . 158 . . 113 VAL C . 51687 1 455 . 1 . 1 113 113 VAL CA C 13 67.209 0.071 . 1 . . 159 . . 113 VAL CA . 51687 1 456 . 1 . 1 113 113 VAL CB C 13 31.505 . . 1 . . 160 . . 113 VAL CB . 51687 1 457 . 1 . 1 113 113 VAL N N 15 119.780 0.036 . 1 . . 157 . . 113 VAL N . 51687 1 458 . 1 . 1 114 114 ALA H H 1 8.152 0.001 . 1 . . 151 . . 114 ALA H . 51687 1 459 . 1 . 1 114 114 ALA C C 13 178.879 0.008 . 1 . . 153 . . 114 ALA C . 51687 1 460 . 1 . 1 114 114 ALA CA C 13 55.811 0.083 . 1 . . 154 . . 114 ALA CA . 51687 1 461 . 1 . 1 114 114 ALA CB C 13 18.335 . . 1 . . 155 . . 114 ALA CB . 51687 1 462 . 1 . 1 114 114 ALA N N 15 119.684 0.022 . 1 . . 152 . . 114 ALA N . 51687 1 463 . 1 . 1 115 115 ARG H H 1 7.825 0.003 . 1 . . 146 . . 115 ARG H . 51687 1 464 . 1 . 1 115 115 ARG C C 13 177.811 0.008 . 1 . . 148 . . 115 ARG C . 51687 1 465 . 1 . 1 115 115 ARG CA C 13 59.621 0.081 . 1 . . 149 . . 115 ARG CA . 51687 1 466 . 1 . 1 115 115 ARG CB C 13 29.995 . . 1 . . 150 . . 115 ARG CB . 51687 1 467 . 1 . 1 115 115 ARG N N 15 117.055 0.049 . 1 . . 147 . . 115 ARG N . 51687 1 468 . 1 . 1 116 116 ALA H H 1 7.640 0.002 . 1 . . 141 . . 116 ALA H . 51687 1 469 . 1 . 1 116 116 ALA C C 13 180.826 0.012 . 1 . . 143 . . 116 ALA C . 51687 1 470 . 1 . 1 116 116 ALA CA C 13 54.729 0.02 . 1 . . 144 . . 116 ALA CA . 51687 1 471 . 1 . 1 116 116 ALA CB C 13 18.730 . . 1 . . 145 . . 116 ALA CB . 51687 1 472 . 1 . 1 116 116 ALA N N 15 120.448 0.043 . 1 . . 142 . . 116 ALA N . 51687 1 473 . 1 . 1 117 117 VAL H H 1 8.539 0.002 . 1 . . 136 . . 117 VAL H . 51687 1 474 . 1 . 1 117 117 VAL C C 13 176.719 0.008 . 1 . . 138 . . 117 VAL C . 51687 1 475 . 1 . 1 117 117 VAL CA C 13 66.689 0.058 . 1 . . 139 . . 117 VAL CA . 51687 1 476 . 1 . 1 117 117 VAL CB C 13 31.928 . . 1 . . 140 . . 117 VAL CB . 51687 1 477 . 1 . 1 117 117 VAL N N 15 118.516 0.012 . 1 . . 137 . . 117 VAL N . 51687 1 478 . 1 . 1 118 118 ALA H H 1 8.472 0.002 . 1 . . 131 . . 118 ALA H . 51687 1 479 . 1 . 1 118 118 ALA C C 13 180.280 0.007 . 1 . . 133 . . 118 ALA C . 51687 1 480 . 1 . 1 118 118 ALA CA C 13 56.173 0.039 . 1 . . 134 . . 118 ALA CA . 51687 1 481 . 1 . 1 118 118 ALA CB C 13 18.100 . . 1 . . 135 . . 118 ALA CB . 51687 1 482 . 1 . 1 118 118 ALA N N 15 121.781 0.026 . 1 . . 132 . . 118 ALA N . 51687 1 483 . 1 . 1 119 119 GLN H H 1 8.301 0.005 . 1 . . 126 . . 119 GLN H . 51687 1 484 . 1 . 1 119 119 GLN C C 13 178.476 0.011 . 1 . . 127 . . 119 GLN C . 51687 1 485 . 1 . 1 119 119 GLN CA C 13 58.556 0.08 . 1 . . 128 . . 119 GLN CA . 51687 1 486 . 1 . 1 119 119 GLN CB C 13 28.672 . . 1 . . 129 . . 119 GLN CB . 51687 1 487 . 1 . 1 119 119 GLN N N 15 114.693 0.064 . 1 . . 130 . . 119 GLN N . 51687 1 488 . 1 . 1 120 120 SER H H 1 7.729 0.002 . 1 . . 121 . . 120 SER H . 51687 1 489 . 1 . 1 120 120 SER C C 13 176.493 0.007 . 1 . . 125 . . 120 SER C . 51687 1 490 . 1 . 1 120 120 SER CA C 13 61.274 0.038 . 1 . . 123 . . 120 SER CA . 51687 1 491 . 1 . 1 120 120 SER CB C 13 64.237 . . 1 . . 124 . . 120 SER CB . 51687 1 492 . 1 . 1 120 120 SER N N 15 112.382 0.024 . 1 . . 122 . . 120 SER N . 51687 1 493 . 1 . 1 121 121 LEU H H 1 7.728 0.001 . 1 . . 51 . . 121 LEU H . 51687 1 494 . 1 . 1 121 121 LEU C C 13 176.989 0.005 . 1 . . 69 . . 121 LEU C . 51687 1 495 . 1 . 1 121 121 LEU CA C 13 54.235 0.068 . 1 . . 53 . . 121 LEU CA . 51687 1 496 . 1 . 1 121 121 LEU CB C 13 43.523 . . 1 . . 54 . . 121 LEU CB . 51687 1 497 . 1 . 1 121 121 LEU N N 15 116.777 0.027 . 1 . . 52 . . 121 LEU N . 51687 1 498 . 1 . 1 122 122 GLY H H 1 7.710 0.001 . 1 . . 71 . . 122 GLY H . 51687 1 499 . 1 . 1 122 122 GLY C C 13 174.777 0.007 . 1 . . 72 . . 122 GLY C . 51687 1 500 . 1 . 1 122 122 GLY CA C 13 46.765 0.031 . 1 . . 73 . . 122 GLY CA . 51687 1 501 . 1 . 1 122 122 GLY N N 15 109.129 0.019 . 1 . . 70 . . 122 GLY N . 51687 1 502 . 1 . 1 123 123 LEU H H 1 7.311 0.002 . 1 . . 74 . . 123 LEU H . 51687 1 503 . 1 . 1 123 123 LEU C C 13 175.821 0.006 . 1 . . 76 . . 123 LEU C . 51687 1 504 . 1 . 1 123 123 LEU CA C 13 52.976 0.009 . 1 . . 77 . . 123 LEU CA . 51687 1 505 . 1 . 1 123 123 LEU CB C 13 44.343 . . 1 . . 78 . . 123 LEU CB . 51687 1 506 . 1 . 1 123 123 LEU N N 15 117.996 0.086 . 1 . . 75 . . 123 LEU N . 51687 1 507 . 1 . 1 124 124 SER H H 1 8.402 0.002 . 1 . . 79 . . 124 SER H . 51687 1 508 . 1 . 1 124 124 SER C C 13 176.091 . . 1 . . 81 . . 124 SER C . 51687 1 509 . 1 . 1 124 124 SER CA C 13 57.617 0.112 . 1 . . 83 . . 124 SER CA . 51687 1 510 . 1 . 1 124 124 SER CB C 13 63.303 . . 1 . . 82 . . 124 SER CB . 51687 1 511 . 1 . 1 124 124 SER N N 15 114.220 0.051 . 1 . . 80 . . 124 SER N . 51687 1 512 . 1 . 1 125 125 GLN H H 1 9.053 0.002 . 1 . . 84 . . 125 GLN H . 51687 1 513 . 1 . 1 125 125 GLN C C 13 177.953 0.007 . 1 . . 89 . . 125 GLN C . 51687 1 514 . 1 . 1 125 125 GLN CA C 13 60.092 0.057 . 1 . . 86 . . 125 GLN CA . 51687 1 515 . 1 . 1 125 125 GLN CB C 13 28.427 . . 1 . . 87 . . 125 GLN CB . 51687 1 516 . 1 . 1 125 125 GLN N N 15 128.991 0.054 . 1 . . 85 . . 125 GLN N . 51687 1 517 . 1 . 1 126 126 GLY H H 1 8.733 0.003 . 1 . . 88 . . 126 GLY H . 51687 1 518 . 1 . 1 126 126 GLY C C 13 176.421 0.016 . 1 . . 91 . . 126 GLY C . 51687 1 519 . 1 . 1 126 126 GLY CA C 13 47.239 0.06 . 1 . . 90 . . 126 GLY CA . 51687 1 520 . 1 . 1 126 126 GLY N N 15 106.365 0.024 . 1 . . 926 . . 126 GLY N . 51687 1 521 . 1 . 1 127 127 SER H H 1 7.473 0.002 . 1 . . 92 . . 127 SER H . 51687 1 522 . 1 . 1 127 127 SER C C 13 176.896 0.008 . 1 . . 96 . . 127 SER C . 51687 1 523 . 1 . 1 127 127 SER CA C 13 61.009 0.082 . 1 . . 94 . . 127 SER CA . 51687 1 524 . 1 . 1 127 127 SER CB C 13 62.837 . . 1 . . 186 . . 127 SER CB . 51687 1 525 . 1 . 1 127 127 SER N N 15 116.425 0.057 . 1 . . 93 . . 127 SER N . 51687 1 526 . 1 . 1 128 128 VAL H H 1 7.716 0.002 . 1 . . 97 . . 128 VAL H . 51687 1 527 . 1 . 1 128 128 VAL C C 13 177.661 0.005 . 1 . . 101 . . 128 VAL C . 51687 1 528 . 1 . 1 128 128 VAL CA C 13 66.105 0.036 . 1 . . 100 . . 128 VAL CA . 51687 1 529 . 1 . 1 128 128 VAL CB C 13 31.550 . . 1 . . 99 . . 128 VAL CB . 51687 1 530 . 1 . 1 128 128 VAL N N 15 119.691 0.044 . 1 . . 98 . . 128 VAL N . 51687 1 531 . 1 . 1 129 129 GLN H H 1 8.875 0.002 . 1 . . 102 . . 129 GLN H . 51687 1 532 . 1 . 1 129 129 GLN C C 13 177.818 0.012 . 1 . . 103 . . 129 GLN C . 51687 1 533 . 1 . 1 129 129 GLN CA C 13 60.025 0.063 . 1 . . 104 . . 129 GLN CA . 51687 1 534 . 1 . 1 129 129 GLN CB C 13 28.181 . . 1 . . 105 . . 129 GLN CB . 51687 1 535 . 1 . 1 129 129 GLN N N 15 120.781 0.056 . 1 . . 955 . . 129 GLN N . 51687 1 536 . 1 . 1 130 130 ASN H H 1 7.802 0.006 . 1 . . 106 . . 130 ASN H . 51687 1 537 . 1 . 1 130 130 ASN C C 13 177.558 0.006 . 1 . . 107 . . 130 ASN C . 51687 1 538 . 1 . 1 130 130 ASN CA C 13 56.530 0.107 . 1 . . 109 . . 130 ASN CA . 51687 1 539 . 1 . 1 130 130 ASN CB C 13 38.349 . . 1 . . 110 . . 130 ASN CB . 51687 1 540 . 1 . 1 130 130 ASN N N 15 117.717 0.048 . 1 . . 108 . . 130 ASN N . 51687 1 541 . 1 . 1 131 131 ILE H H 1 7.534 0.002 . 1 . . 111 . . 131 ILE H . 51687 1 542 . 1 . 1 131 131 ILE C C 13 178.434 0.005 . 1 . . 113 . . 131 ILE C . 51687 1 543 . 1 . 1 131 131 ILE CA C 13 64.738 0.072 . 1 . . 114 . . 131 ILE CA . 51687 1 544 . 1 . 1 131 131 ILE CB C 13 38.562 . . 1 . . 115 . . 131 ILE CB . 51687 1 545 . 1 . 1 131 131 ILE N N 15 120.054 0.04 . 1 . . 112 . . 131 ILE N . 51687 1 546 . 1 . 1 132 132 MET H H 1 8.544 0.007 . 1 . . 116 . . 132 MET H . 51687 1 547 . 1 . 1 132 132 MET C C 13 178.361 0.009 . 1 . . 120 . . 132 MET C . 51687 1 548 . 1 . 1 132 132 MET CA C 13 57.475 0.093 . 1 . . 118 . . 132 MET CA . 51687 1 549 . 1 . 1 132 132 MET CB C 13 31.987 . . 1 . . 119 . . 132 MET CB . 51687 1 550 . 1 . 1 132 132 MET N N 15 118.029 0.047 . 1 . . 117 . . 132 MET N . 51687 1 551 . 1 . 1 133 133 SER H H 1 8.689 0.006 . 1 . . 640 . . 133 SER H . 51687 1 552 . 1 . 1 133 133 SER C C 13 176.846 . . 1 . . 793 . . 133 SER C . 51687 1 553 . 1 . 1 133 133 SER CA C 13 62.128 . . 1 . . 642 . . 133 SER CA . 51687 1 554 . 1 . 1 133 133 SER CB C 13 62.701 . . 1 . . 1111 . . 133 SER CB . 51687 1 555 . 1 . 1 133 133 SER N N 15 114.420 0.063 . 1 . . 641 . . 133 SER N . 51687 1 556 . 1 . 1 134 134 GLN H H 1 7.727 0.001 . 1 . . 570 . . 134 GLN H . 51687 1 557 . 1 . 1 134 134 GLN C C 13 178.965 0.009 . 1 . . 572 . . 134 GLN C . 51687 1 558 . 1 . 1 134 134 GLN CA C 13 58.938 0.065 . 1 . . 573 . . 134 GLN CA . 51687 1 559 . 1 . 1 134 134 GLN CB C 13 28.684 . . 1 . . 574 . . 134 GLN CB . 51687 1 560 . 1 . 1 134 134 GLN N N 15 120.252 0.054 . 1 . . 571 . . 134 GLN N . 51687 1 561 . 1 . 1 135 135 GLN H H 1 8.186 0.001 . 1 . . 575 . . 135 GLN H . 51687 1 562 . 1 . 1 135 135 GLN C C 13 178.413 0.009 . 1 . . 577 . . 135 GLN C . 51687 1 563 . 1 . 1 135 135 GLN CA C 13 58.370 0.032 . 1 . . 578 . . 135 GLN CA . 51687 1 564 . 1 . 1 135 135 GLN CB C 13 28.863 . . 1 . . 579 . . 135 GLN CB . 51687 1 565 . 1 . 1 135 135 GLN N N 15 116.977 0.021 . 1 . . 576 . . 135 GLN N . 51687 1 566 . 1 . 1 136 136 LEU H H 1 8.237 0.001 . 1 . . 756 . . 136 LEU H . 51687 1 567 . 1 . 1 136 136 LEU C C 13 178.196 0.009 . 1 . . 758 . . 136 LEU C . 51687 1 568 . 1 . 1 136 136 LEU CA C 13 55.973 0.063 . 1 . . 759 . . 136 LEU CA . 51687 1 569 . 1 . 1 136 136 LEU CB C 13 40.959 . . 1 . . 760 . . 136 LEU CB . 51687 1 570 . 1 . 1 136 136 LEU N N 15 116.874 0.047 . 1 . . 757 . . 136 LEU N . 51687 1 571 . 1 . 1 137 137 SER H H 1 7.671 0.004 . 1 . . 390 . . 137 SER H . 51687 1 572 . 1 . 1 137 137 SER C C 13 175.504 0.011 . 1 . . 394 . . 137 SER C . 51687 1 573 . 1 . 1 137 137 SER CA C 13 61.275 0.043 . 1 . . 392 . . 137 SER CA . 51687 1 574 . 1 . 1 137 137 SER CB C 13 63.217 . . 1 . . 393 . . 137 SER CB . 51687 1 575 . 1 . 1 137 137 SER N N 15 114.186 0.031 . 1 . . 391 . . 137 SER N . 51687 1 576 . 1 . 1 138 138 SER H H 1 7.715 0.002 . 1 . . 385 . . 138 SER H . 51687 1 577 . 1 . 1 138 138 SER C C 13 174.803 0.008 . 1 . . 387 . . 138 SER C . 51687 1 578 . 1 . 1 138 138 SER CA C 13 58.847 0.122 . 1 . . 388 . . 138 SER CA . 51687 1 579 . 1 . 1 138 138 SER CB C 13 63.671 . . 1 . . 389 . . 138 SER CB . 51687 1 580 . 1 . 1 138 138 SER N N 15 114.327 0.043 . 1 . . 386 . . 138 SER N . 51687 1 581 . 1 . 1 139 139 ILE H H 1 7.318 0.002 . 1 . . 380 . . 139 ILE H . 51687 1 582 . 1 . 1 139 139 ILE C C 13 175.990 0.005 . 1 . . 382 . . 139 ILE C . 51687 1 583 . 1 . 1 139 139 ILE CA C 13 61.814 0.066 . 1 . . 383 . . 139 ILE CA . 51687 1 584 . 1 . 1 139 139 ILE CB C 13 38.343 . . 1 . . 384 . . 139 ILE CB . 51687 1 585 . 1 . 1 139 139 ILE N N 15 119.148 0.053 . 1 . . 381 . . 139 ILE N . 51687 1 586 . 1 . 1 140 140 GLY H H 1 7.864 0.004 . 1 . . 376 . . 140 GLY H . 51687 1 587 . 1 . 1 140 140 GLY C C 13 173.466 0.005 . 1 . . 378 . . 140 GLY C . 51687 1 588 . 1 . 1 140 140 GLY CA C 13 45.040 0.147 . 1 . . 379 . . 140 GLY CA . 51687 1 589 . 1 . 1 140 140 GLY N N 15 110.818 0.041 . 1 . . 377 . . 140 GLY N . 51687 1 590 . 1 . 1 141 141 SER H H 1 8.272 0.001 . 1 . . 371 . . 141 SER H . 51687 1 591 . 1 . 1 141 141 SER C C 13 175.822 0.012 . 1 . . 373 . . 141 SER C . 51687 1 592 . 1 . 1 141 141 SER CA C 13 59.042 0.084 . 1 . . 375 . . 141 SER CA . 51687 1 593 . 1 . 1 141 141 SER CB C 13 63.674 . . 1 . . 374 . . 141 SER CB . 51687 1 594 . 1 . 1 141 141 SER N N 15 115.499 0.028 . 1 . . 372 . . 141 SER N . 51687 1 595 . 1 . 1 142 142 GLY H H 1 8.869 0.002 . 1 . . 357 . . 142 GLY H . 51687 1 596 . 1 . 1 142 142 GLY C C 13 174.360 0.008 . 1 . . 359 . . 142 GLY C . 51687 1 597 . 1 . 1 142 142 GLY CA C 13 45.648 0.086 . 1 . . 360 . . 142 GLY CA . 51687 1 598 . 1 . 1 142 142 GLY N N 15 112.454 0.039 . 1 . . 358 . . 142 GLY N . 51687 1 599 . 1 . 1 143 143 ALA H H 1 7.627 0.001 . 1 . . 361 . . 143 ALA H . 51687 1 600 . 1 . 1 143 143 ALA C C 13 177.254 0.006 . 1 . . 363 . . 143 ALA C . 51687 1 601 . 1 . 1 143 143 ALA CA C 13 52.255 0.087 . 1 . . 364 . . 143 ALA CA . 51687 1 602 . 1 . 1 143 143 ALA CB C 13 19.760 . . 1 . . 365 . . 143 ALA CB . 51687 1 603 . 1 . 1 143 143 ALA N N 15 122.777 0.046 . 1 . . 362 . . 143 ALA N . 51687 1 604 . 1 . 1 144 144 SER H H 1 8.488 0.002 . 1 . . 366 . . 144 SER H . 51687 1 605 . 1 . 1 144 144 SER C C 13 175.564 0.011 . 1 . . 368 . . 144 SER C . 51687 1 606 . 1 . 1 144 144 SER CA C 13 57.077 0.133 . 1 . . 370 . . 144 SER CA . 51687 1 607 . 1 . 1 144 144 SER CB C 13 65.003 . . 1 . . 369 . . 144 SER CB . 51687 1 608 . 1 . 1 144 144 SER N N 15 116.291 0.028 . 1 . . 367 . . 144 SER N . 51687 1 609 . 1 . 1 145 145 THR H H 1 8.945 0.005 . 1 . . 874 . . 145 THR H . 51687 1 610 . 1 . 1 145 145 THR CA C 13 66.367 0.001 . 1 . . 876 . . 145 THR CA . 51687 1 611 . 1 . 1 145 145 THR CB C 13 68.049 . . 1 . . 877 . . 145 THR CB . 51687 1 612 . 1 . 1 145 145 THR N N 15 115.350 0.086 . 1 . . 875 . . 145 THR N . 51687 1 613 . 1 . 1 146 146 SER C C 13 176.539 0.009 . 1 . . 839 . . 146 SER C . 51687 1 614 . 1 . 1 146 146 SER CA C 13 61.752 . . 1 . . 838 . . 146 SER CA . 51687 1 615 . 1 . 1 147 147 SER H H 1 7.980 0.001 . 1 . . 741 . . 147 SER H . 51687 1 616 . 1 . 1 147 147 SER C C 13 177.373 0.003 . 1 . . 745 . . 147 SER C . 51687 1 617 . 1 . 1 147 147 SER CA C 13 61.494 0.021 . 1 . . 744 . . 147 SER CA . 51687 1 618 . 1 . 1 147 147 SER CB C 13 62.708 . . 1 . . 743 . . 147 SER CB . 51687 1 619 . 1 . 1 147 147 SER N N 15 119.702 0.084 . 1 . . 742 . . 147 SER N . 51687 1 620 . 1 . 1 148 148 LEU H H 1 8.449 0.002 . 1 . . 475 . . 148 LEU H . 51687 1 621 . 1 . 1 148 148 LEU C C 13 178.311 0.007 . 1 . . 479 . . 148 LEU C . 51687 1 622 . 1 . 1 148 148 LEU CA C 13 58.186 0.017 . 1 . . 477 . . 148 LEU CA . 51687 1 623 . 1 . 1 148 148 LEU CB C 13 43.241 . . 1 . . 478 . . 148 LEU CB . 51687 1 624 . 1 . 1 148 148 LEU N N 15 123.375 0.064 . 1 . . 476 . . 148 LEU N . 51687 1 625 . 1 . 1 149 149 SER H H 1 8.382 0.002 . 1 . . 480 . . 149 SER H . 51687 1 626 . 1 . 1 149 149 SER C C 13 175.890 0.014 . 1 . . 792 . . 149 SER C . 51687 1 627 . 1 . 1 149 149 SER CA C 13 62.479 0.103 . 1 . . 481 . . 149 SER CA . 51687 1 628 . 1 . 1 149 149 SER N N 15 114.743 0.074 . 1 . . 967 . . 149 SER N . 51687 1 629 . 1 . 1 150 150 GLN H H 1 7.594 0.002 . 1 . . 256 . . 150 GLN H . 51687 1 630 . 1 . 1 150 150 GLN C C 13 177.632 0.004 . 1 . . 258 . . 150 GLN C . 51687 1 631 . 1 . 1 150 150 GLN CA C 13 58.963 0.064 . 1 . . 259 . . 150 GLN CA . 51687 1 632 . 1 . 1 150 150 GLN CB C 13 28.567 . . 1 . . 260 . . 150 GLN CB . 51687 1 633 . 1 . 1 150 150 GLN N N 15 120.502 0.036 . 1 . . 257 . . 150 GLN N . 51687 1 634 . 1 . 1 151 151 ALA H H 1 8.074 0.002 . 1 . . 251 . . 151 ALA H . 51687 1 635 . 1 . 1 151 151 ALA C C 13 180.568 0.01 . 1 . . 253 . . 151 ALA C . 51687 1 636 . 1 . 1 151 151 ALA CA C 13 55.339 0.018 . 1 . . 254 . . 151 ALA CA . 51687 1 637 . 1 . 1 151 151 ALA CB C 13 18.469 . . 1 . . 255 . . 151 ALA CB . 51687 1 638 . 1 . 1 151 151 ALA N N 15 121.995 0.06 . 1 . . 252 . . 151 ALA N . 51687 1 639 . 1 . 1 152 152 ILE H H 1 8.437 0.005 . 1 . . 246 . . 152 ILE H . 51687 1 640 . 1 . 1 152 152 ILE C C 13 177.109 0.005 . 1 . . 248 . . 152 ILE C . 51687 1 641 . 1 . 1 152 152 ILE CA C 13 65.835 0.034 . 1 . . 249 . . 152 ILE CA . 51687 1 642 . 1 . 1 152 152 ILE CB C 13 38.126 . . 1 . . 250 . . 152 ILE CB . 51687 1 643 . 1 . 1 152 152 ILE N N 15 117.090 0.074 . 1 . . 247 . . 152 ILE N . 51687 1 644 . 1 . 1 153 153 ALA H H 1 8.161 0.001 . 1 . . 241 . . 153 ALA H . 51687 1 645 . 1 . 1 153 153 ALA C C 13 178.904 0.01 . 1 . . 243 . . 153 ALA C . 51687 1 646 . 1 . 1 153 153 ALA CA C 13 55.949 0.046 . 1 . . 244 . . 153 ALA CA . 51687 1 647 . 1 . 1 153 153 ALA CB C 13 19.651 . . 1 . . 245 . . 153 ALA CB . 51687 1 648 . 1 . 1 153 153 ALA N N 15 121.248 0.021 . 1 . . 242 . . 153 ALA N . 51687 1 649 . 1 . 1 154 154 ASN H H 1 8.565 0.004 . 1 . . 236 . . 154 ASN H . 51687 1 650 . 1 . 1 154 154 ASN C C 13 177.981 0.014 . 1 . . 238 . . 154 ASN C . 51687 1 651 . 1 . 1 154 154 ASN CA C 13 56.130 0.01 . 1 . . 239 . . 154 ASN CA . 51687 1 652 . 1 . 1 154 154 ASN CB C 13 38.701 . . 1 . . 240 . . 154 ASN CB . 51687 1 653 . 1 . 1 154 154 ASN N N 15 115.858 0.032 . 1 . . 237 . . 154 ASN N . 51687 1 654 . 1 . 1 155 155 ALA H H 1 8.012 0.001 . 1 . . 231 . . 155 ALA H . 51687 1 655 . 1 . 1 155 155 ALA C C 13 179.227 0.011 . 1 . . 233 . . 155 ALA C . 51687 1 656 . 1 . 1 155 155 ALA CA C 13 55.163 0.069 . 1 . . 234 . . 155 ALA CA . 51687 1 657 . 1 . 1 155 155 ALA CB C 13 19.363 . . 1 . . 235 . . 155 ALA CB . 51687 1 658 . 1 . 1 155 155 ALA N N 15 123.362 0.069 . 1 . . 232 . . 155 ALA N . 51687 1 659 . 1 . 1 156 156 VAL H H 1 8.440 0.001 . 1 . . 205 . . 156 VAL H . 51687 1 660 . 1 . 1 156 156 VAL C C 13 177.609 0.005 . 1 . . 204 . . 156 VAL C . 51687 1 661 . 1 . 1 156 156 VAL CA C 13 67.448 0.03 . 1 . . 206 . . 156 VAL CA . 51687 1 662 . 1 . 1 156 156 VAL N N 15 117.180 0.028 . 1 . . 207 . . 156 VAL N . 51687 1 663 . 1 . 1 157 157 SER H H 1 8.318 0.006 . 1 . . 208 . . 157 SER H . 51687 1 664 . 1 . 1 157 157 SER C C 13 177.195 0.016 . 1 . . 755 . . 157 SER C . 51687 1 665 . 1 . 1 157 157 SER CA C 13 62.158 0.077 . 1 . . 203 . . 157 SER CA . 51687 1 666 . 1 . 1 157 157 SER CB C 13 63.262 . . 1 . . 210 . . 157 SER CB . 51687 1 667 . 1 . 1 157 157 SER N N 15 114.350 0.025 . 1 . . 209 . . 157 SER N . 51687 1 668 . 1 . 1 158 158 SER H H 1 8.072 0.002 . 1 . . 750 . . 158 SER H . 51687 1 669 . 1 . 1 158 158 SER C C 13 175.778 0.014 . 1 . . 754 . . 158 SER C . 51687 1 670 . 1 . 1 158 158 SER CA C 13 62.119 . . 1 . . 752 . . 158 SER CA . 51687 1 671 . 1 . 1 158 158 SER CB C 13 63.139 . . 1 . . 753 . . 158 SER CB . 51687 1 672 . 1 . 1 158 158 SER N N 15 115.598 0.021 . 1 . . 751 . . 158 SER N . 51687 1 673 . 1 . 1 159 159 ALA H H 1 7.926 0.002 . 1 . . 65 . . 159 ALA H . 51687 1 674 . 1 . 1 159 159 ALA C C 13 178.164 0.013 . 1 . . 202 . . 159 ALA C . 51687 1 675 . 1 . 1 159 159 ALA CA C 13 54.055 0.052 . 1 . . 67 . . 159 ALA CA . 51687 1 676 . 1 . 1 159 159 ALA CB C 13 18.693 . . 1 . . 68 . . 159 ALA CB . 51687 1 677 . 1 . 1 159 159 ALA N N 15 121.946 0.061 . 1 . . 66 . . 159 ALA N . 51687 1 678 . 1 . 1 160 160 VAL H H 1 8.007 0.002 . 1 . . 62 . . 160 VAL H . 51687 1 679 . 1 . 1 160 160 VAL C C 13 177.768 0.01 . 1 . . 201 . . 160 VAL C . 51687 1 680 . 1 . 1 160 160 VAL CA C 13 63.763 0.051 . 1 . . 63 . . 160 VAL CA . 51687 1 681 . 1 . 1 160 160 VAL CB C 13 32.470 . . 1 . . 64 . . 160 VAL CB . 51687 1 682 . 1 . 1 160 160 VAL N N 15 113.766 0.072 . 1 . . 982 . . 160 VAL N . 51687 1 683 . 1 . 1 161 161 GLN H H 1 7.888 0.003 . 1 . . 55 . . 161 GLN H . 51687 1 684 . 1 . 1 161 161 GLN C C 13 176.227 0.007 . 1 . . 200 . . 161 GLN C . 51687 1 685 . 1 . 1 161 161 GLN CA C 13 58.189 0.07 . 1 . . 57 . . 161 GLN CA . 51687 1 686 . 1 . 1 161 161 GLN CB C 13 28.472 . . 1 . . 58 . . 161 GLN CB . 51687 1 687 . 1 . 1 161 161 GLN N N 15 121.118 0.045 . 1 . . 56 . . 161 GLN N . 51687 1 688 . 1 . 1 162 162 GLY H H 1 8.479 0.002 . 1 . . 59 . . 162 GLY H . 51687 1 689 . 1 . 1 162 162 GLY C C 13 173.797 0.016 . 1 . . 194 . . 162 GLY C . 51687 1 690 . 1 . 1 162 162 GLY CA C 13 45.480 0.057 . 1 . . 61 . . 162 GLY CA . 51687 1 691 . 1 . 1 162 162 GLY N N 15 110.740 0.04 . 1 . . 60 . . 162 GLY N . 51687 1 692 . 1 . 1 163 163 SER H H 1 7.835 0.007 . 1 . . 196 . . 163 SER H . 51687 1 693 . 1 . 1 163 163 SER C C 13 175.751 0.009 . 1 . . 195 . . 163 SER C . 51687 1 694 . 1 . 1 163 163 SER CA C 13 57.959 0.112 . 1 . . 199 . . 163 SER CA . 51687 1 695 . 1 . 1 163 163 SER CB C 13 66.898 . . 1 . . 198 . . 163 SER CB . 51687 1 696 . 1 . 1 163 163 SER N N 15 115.746 0.032 . 1 . . 197 . . 163 SER N . 51687 1 697 . 1 . 1 164 164 GLN H H 1 8.888 0.006 . 1 . . 189 . . 164 GLN H . 51687 1 698 . 1 . 1 164 164 GLN C C 13 176.065 0.014 . 1 . . 193 . . 164 GLN C . 51687 1 699 . 1 . 1 164 164 GLN CA C 13 57.603 0.092 . 1 . . 191 . . 164 GLN CA . 51687 1 700 . 1 . 1 164 164 GLN CB C 13 28.169 . . 1 . . 192 . . 164 GLN CB . 51687 1 701 . 1 . 1 164 164 GLN N N 15 119.702 0.039 . 1 . . 190 . . 164 GLN N . 51687 1 702 . 1 . 1 165 165 ALA H H 1 7.748 0.001 . 1 . . 13 . . 165 ALA H . 51687 1 703 . 1 . 1 165 165 ALA C C 13 177.253 0.018 . 1 . . 187 . . 165 ALA C . 51687 1 704 . 1 . 1 165 165 ALA CA C 13 52.345 0.093 . 1 . . 16 . . 165 ALA CA . 51687 1 705 . 1 . 1 165 165 ALA CB C 13 19.353 . . 1 . . 15 . . 165 ALA CB . 51687 1 706 . 1 . 1 165 165 ALA N N 15 119.266 0.061 . 1 . . 14 . . 165 ALA N . 51687 1 707 . 1 . 1 166 166 ALA H H 1 6.851 0.002 . 1 . . 9 . . 166 ALA H . 51687 1 708 . 1 . 1 166 166 ALA C C 13 174.505 0.008 . 1 . . 188 . . 166 ALA C . 51687 1 709 . 1 . 1 166 166 ALA CA C 13 51.300 0.033 . 1 . . 12 . . 166 ALA CA . 51687 1 710 . 1 . 1 166 166 ALA CB C 13 16.310 . . 1 . . 11 . . 166 ALA CB . 51687 1 711 . 1 . 1 166 166 ALA N N 15 121.641 0.036 . 1 . . 10 . . 166 ALA N . 51687 1 712 . 1 . 1 167 167 ALA H H 1 7.262 0.002 . 1 . . 3 . . 167 ALA H . 51687 1 713 . 1 . 1 167 167 ALA C C 13 174.515 0.008 . 1 . . 799 . . 167 ALA C . 51687 1 714 . 1 . 1 167 167 ALA CA C 13 49.291 0.051 . 1 . . 2 . . 167 ALA CA . 51687 1 715 . 1 . 1 167 167 ALA CB C 13 19.045 . . 1 . . 4 . . 167 ALA CB . 51687 1 716 . 1 . 1 167 167 ALA N N 15 128.039 0.07 . 1 . . 1 . . 167 ALA N . 51687 1 717 . 1 . 1 168 168 PRO C C 13 177.489 0.005 . 1 . . 177 . . 168 PRO C . 51687 1 718 . 1 . 1 168 168 PRO CA C 13 64.087 0.046 . 1 . . 176 . . 168 PRO CA . 51687 1 719 . 1 . 1 168 168 PRO CB C 13 32.219 . . 1 . . 175 . . 168 PRO CB . 51687 1 720 . 1 . 1 168 168 PRO N N 15 136.639 0.001 . 1 . . 800 . . 168 PRO N . 51687 1 721 . 1 . 1 169 169 GLY H H 1 8.996 0.002 . 1 . . 171 . . 169 GLY H . 51687 1 722 . 1 . 1 169 169 GLY C C 13 175.733 0.052 . 1 . . 173 . . 169 GLY C . 51687 1 723 . 1 . 1 169 169 GLY CA C 13 45.789 0.013 . 1 . . 174 . . 169 GLY CA . 51687 1 724 . 1 . 1 169 169 GLY N N 15 114.051 0.043 . 1 . . 172 . . 169 GLY N . 51687 1 725 . 1 . 1 170 170 GLN H H 1 7.873 0.002 . 1 . . 166 . . 170 GLN H . 51687 1 726 . 1 . 1 170 170 GLN C C 13 176.103 0.009 . 1 . . 168 . . 170 GLN C . 51687 1 727 . 1 . 1 170 170 GLN CA C 13 54.766 0.022 . 1 . . 169 . . 170 GLN CA . 51687 1 728 . 1 . 1 170 170 GLN CB C 13 28.264 . . 1 . . 170 . . 170 GLN CB . 51687 1 729 . 1 . 1 170 170 GLN N N 15 117.483 0.035 . 1 . . 167 . . 170 GLN N . 51687 1 730 . 1 . 1 171 171 GLU H H 1 10.416 0.003 . 1 . . 161 . . 171 GLU H . 51687 1 731 . 1 . 1 171 171 GLU C C 13 178.203 0.01 . 1 . . 165 . . 171 GLU C . 51687 1 732 . 1 . 1 171 171 GLU CA C 13 63.307 0.064 . 1 . . 163 . . 171 GLU CA . 51687 1 733 . 1 . 1 171 171 GLU CB C 13 28.941 . . 1 . . 164 . . 171 GLU CB . 51687 1 734 . 1 . 1 171 171 GLU N N 15 122.196 0.069 . 1 . . 162 . . 171 GLU N . 51687 1 735 . 1 . 1 172 172 GLN H H 1 8.547 0.003 . 1 . . 266 . . 172 GLN H . 51687 1 736 . 1 . 1 172 172 GLN C C 13 178.104 0.011 . 1 . . 268 . . 172 GLN C . 51687 1 737 . 1 . 1 172 172 GLN CA C 13 59.608 0.036 . 1 . . 269 . . 172 GLN CA . 51687 1 738 . 1 . 1 172 172 GLN CB C 13 27.995 . . 1 . . 270 . . 172 GLN CB . 51687 1 739 . 1 . 1 172 172 GLN N N 15 116.205 0.081 . 1 . . 267 . . 172 GLN N . 51687 1 740 . 1 . 1 173 173 SER H H 1 7.989 0.003 . 1 . . 261 . . 173 SER H . 51687 1 741 . 1 . 1 173 173 SER C C 13 177.868 0.016 . 1 . . 263 . . 173 SER C . 51687 1 742 . 1 . 1 173 173 SER CA C 13 61.126 0.027 . 1 . . 264 . . 173 SER CA . 51687 1 743 . 1 . 1 173 173 SER CB C 13 62.812 . . 1 . . 265 . . 173 SER CB . 51687 1 744 . 1 . 1 173 173 SER N N 15 116.447 0.026 . 1 . . 262 . . 173 SER N . 51687 1 745 . 1 . 1 174 174 ILE H H 1 8.865 0.002 . 1 . . 271 . . 174 ILE H . 51687 1 746 . 1 . 1 174 174 ILE C C 13 177.486 0.006 . 1 . . 273 . . 174 ILE C . 51687 1 747 . 1 . 1 174 174 ILE CA C 13 65.615 0.01 . 1 . . 274 . . 174 ILE CA . 51687 1 748 . 1 . 1 174 174 ILE CB C 13 37.948 . . 1 . . 275 . . 174 ILE CB . 51687 1 749 . 1 . 1 174 174 ILE N N 15 122.228 0.045 . 1 . . 272 . . 174 ILE N . 51687 1 750 . 1 . 1 175 175 ALA H H 1 7.993 0.001 . 1 . . 276 . . 175 ALA H . 51687 1 751 . 1 . 1 175 175 ALA C C 13 178.998 0.005 . 1 . . 278 . . 175 ALA C . 51687 1 752 . 1 . 1 175 175 ALA CA C 13 56.022 0.012 . 1 . . 279 . . 175 ALA CA . 51687 1 753 . 1 . 1 175 175 ALA CB C 13 18.441 . . 1 . . 280 . . 175 ALA CB . 51687 1 754 . 1 . 1 175 175 ALA N N 15 120.920 0.051 . 1 . . 277 . . 175 ALA N . 51687 1 755 . 1 . 1 176 176 GLN H H 1 8.029 0.001 . 1 . . 281 . . 176 GLN H . 51687 1 756 . 1 . 1 176 176 GLN C C 13 179.110 0.005 . 1 . . 290 . . 176 GLN C . 51687 1 757 . 1 . 1 176 176 GLN CA C 13 59.144 0.049 . 1 . . 283 . . 176 GLN CA . 51687 1 758 . 1 . 1 176 176 GLN CB C 13 28.491 . . 1 . . 284 . . 176 GLN CB . 51687 1 759 . 1 . 1 176 176 GLN N N 15 116.421 0.018 . 1 . . 282 . . 176 GLN N . 51687 1 760 . 1 . 1 177 177 ARG H H 1 8.247 0.004 . 1 . . 285 . . 177 ARG H . 51687 1 761 . 1 . 1 177 177 ARG C C 13 179.813 0.004 . 1 . . 287 . . 177 ARG C . 51687 1 762 . 1 . 1 177 177 ARG CA C 13 59.519 0.077 . 1 . . 288 . . 177 ARG CA . 51687 1 763 . 1 . 1 177 177 ARG CB C 13 30.940 . . 1 . . 289 . . 177 ARG CB . 51687 1 764 . 1 . 1 177 177 ARG N N 15 120.905 0.04 . 1 . . 286 . . 177 ARG N . 51687 1 765 . 1 . 1 178 178 VAL H H 1 8.824 0.001 . 1 . . 291 . . 178 VAL H . 51687 1 766 . 1 . 1 178 178 VAL C C 13 177.548 0.005 . 1 . . 293 . . 178 VAL C . 51687 1 767 . 1 . 1 178 178 VAL CA C 13 66.183 0.029 . 1 . . 294 . . 178 VAL CA . 51687 1 768 . 1 . 1 178 178 VAL CB C 13 31.253 . . 1 . . 295 . . 178 VAL CB . 51687 1 769 . 1 . 1 178 178 VAL N N 15 119.245 0.047 . 1 . . 292 . . 178 VAL N . 51687 1 770 . 1 . 1 179 179 ASN H H 1 8.751 0.003 . 1 . . 296 . . 179 ASN H . 51687 1 771 . 1 . 1 179 179 ASN C C 13 177.985 0.006 . 1 . . 298 . . 179 ASN C . 51687 1 772 . 1 . 1 179 179 ASN CA C 13 58.265 0.04 . 1 . . 299 . . 179 ASN CA . 51687 1 773 . 1 . 1 179 179 ASN CB C 13 39.829 . . 1 . . 300 . . 179 ASN CB . 51687 1 774 . 1 . 1 179 179 ASN N N 15 120.276 0.025 . 1 . . 297 . . 179 ASN N . 51687 1 775 . 1 . 1 180 180 SER H H 1 8.032 0.001 . 1 . . 301 . . 180 SER H . 51687 1 776 . 1 . 1 180 180 SER C C 13 176.518 0.008 . 1 . . 303 . . 180 SER C . 51687 1 777 . 1 . 1 180 180 SER CA C 13 61.940 0.016 . 1 . . 304 . . 180 SER CA . 51687 1 778 . 1 . 1 180 180 SER CB C 13 62.812 . . 1 . . 305 . . 180 SER CB . 51687 1 779 . 1 . 1 180 180 SER N N 15 114.279 0.036 . 1 . . 302 . . 180 SER N . 51687 1 780 . 1 . 1 181 181 ALA H H 1 7.803 0.004 . 1 . . 405 . . 181 ALA H . 51687 1 781 . 1 . 1 181 181 ALA C C 13 180.680 0.005 . 1 . . 407 . . 181 ALA C . 51687 1 782 . 1 . 1 181 181 ALA CA C 13 55.110 0.028 . 1 . . 590 . . 181 ALA CA . 51687 1 783 . 1 . 1 181 181 ALA CB C 13 18.836 . . 1 . . 591 . . 181 ALA CB . 51687 1 784 . 1 . 1 181 181 ALA N N 15 124.204 0.059 . 1 . . 406 . . 181 ALA N . 51687 1 785 . 1 . 1 182 182 ILE H H 1 8.976 0.002 . 1 . . 510 . . 182 ILE H . 51687 1 786 . 1 . 1 182 182 ILE C C 13 177.320 0.004 . 1 . . 512 . . 182 ILE C . 51687 1 787 . 1 . 1 182 182 ILE CA C 13 66.430 0.044 . 1 . . 513 . . 182 ILE CA . 51687 1 788 . 1 . 1 182 182 ILE CB C 13 38.040 . . 1 . . 514 . . 182 ILE CB . 51687 1 789 . 1 . 1 182 182 ILE N N 15 119.891 0.026 . 1 . . 511 . . 182 ILE N . 51687 1 790 . 1 . 1 183 183 SER H H 1 8.499 0.002 . 1 . . 515 . . 183 SER H . 51687 1 791 . 1 . 1 183 183 SER C C 13 177.672 0.006 . 1 . . 517 . . 183 SER C . 51687 1 792 . 1 . 1 183 183 SER CA C 13 62.563 0.065 . 1 . . 518 . . 183 SER CA . 51687 1 793 . 1 . 1 183 183 SER N N 15 115.204 0.04 . 1 . . 516 . . 183 SER N . 51687 1 794 . 1 . 1 184 184 SER H H 1 8.106 0.001 . 1 . . 519 . . 184 SER H . 51687 1 795 . 1 . 1 184 184 SER C C 13 176.560 0.016 . 1 . . 624 . . 184 SER C . 51687 1 796 . 1 . 1 184 184 SER CA C 13 61.593 0.069 . 1 . . 521 . . 184 SER CA . 51687 1 797 . 1 . 1 184 184 SER CB C 13 62.848 . . 1 . . 522 . . 184 SER CB . 51687 1 798 . 1 . 1 184 184 SER N N 15 116.169 0.018 . 1 . . 520 . . 184 SER N . 51687 1 799 . 1 . 1 185 185 ALA H H 1 8.097 0.003 . 1 . . 495 . . 185 ALA H . 51687 1 800 . 1 . 1 185 185 ALA C C 13 181.210 0.005 . 1 . . 499 . . 185 ALA C . 51687 1 801 . 1 . 1 185 185 ALA CA C 13 55.060 0.052 . 1 . . 497 . . 185 ALA CA . 51687 1 802 . 1 . 1 185 185 ALA CB C 13 18.616 . . 1 . . 498 . . 185 ALA CB . 51687 1 803 . 1 . 1 185 185 ALA N N 15 124.606 0.036 . 1 . . 496 . . 185 ALA N . 51687 1 804 . 1 . 1 186 186 PHE H H 1 8.626 0.005 . 1 . . 485 . . 186 PHE H . 51687 1 805 . 1 . 1 186 186 PHE C C 13 177.605 0.007 . 1 . . 487 . . 186 PHE C . 51687 1 806 . 1 . 1 186 186 PHE CA C 13 62.350 0.044 . 1 . . 488 . . 186 PHE CA . 51687 1 807 . 1 . 1 186 186 PHE CB C 13 38.784 . . 1 . . 489 . . 186 PHE CB . 51687 1 808 . 1 . 1 186 186 PHE N N 15 117.040 0.031 . 1 . . 486 . . 186 PHE N . 51687 1 809 . 1 . 1 187 187 ALA H H 1 8.011 0.002 . 1 . . 490 . . 187 ALA H . 51687 1 810 . 1 . 1 187 187 ALA C C 13 180.697 0.006 . 1 . . 492 . . 187 ALA C . 51687 1 811 . 1 . 1 187 187 ALA CA C 13 55.572 0.096 . 1 . . 493 . . 187 ALA CA . 51687 1 812 . 1 . 1 187 187 ALA CB C 13 17.768 . . 1 . . 494 . . 187 ALA CB . 51687 1 813 . 1 . 1 187 187 ALA N N 15 121.812 0.037 . 1 . . 491 . . 187 ALA N . 51687 1 814 . 1 . 1 188 188 GLN H H 1 7.727 0.002 . 1 . . 500 . . 188 GLN H . 51687 1 815 . 1 . 1 188 188 GLN C C 13 177.881 0.039 . 1 . . 502 . . 188 GLN C . 51687 1 816 . 1 . 1 188 188 GLN CA C 13 58.514 0.069 . 1 . . 503 . . 188 GLN CA . 51687 1 817 . 1 . 1 188 188 GLN CB C 13 28.591 . . 1 . . 504 . . 188 GLN CB . 51687 1 818 . 1 . 1 188 188 GLN N N 15 117.181 0.046 . 1 . . 501 . . 188 GLN N . 51687 1 819 . 1 . 1 189 189 LEU H H 1 7.655 0.002 . 1 . . 505 . . 189 LEU H . 51687 1 820 . 1 . 1 189 189 LEU C C 13 178.702 0.004 . 1 . . 509 . . 189 LEU C . 51687 1 821 . 1 . 1 189 189 LEU CA C 13 57.965 0.067 . 1 . . 508 . . 189 LEU CA . 51687 1 822 . 1 . 1 189 189 LEU CB C 13 42.573 . . 1 . . 507 . . 189 LEU CB . 51687 1 823 . 1 . 1 189 189 LEU N N 15 121.023 0.08 . 1 . . 506 . . 189 LEU N . 51687 1 824 . 1 . 1 190 190 ILE H H 1 8.293 0.007 . 1 . . 746 . . 190 ILE H . 51687 1 825 . 1 . 1 190 190 ILE C C 13 178.607 0.006 . 1 . . 748 . . 190 ILE C . 51687 1 826 . 1 . 1 190 190 ILE CA C 13 63.949 0.037 . 1 . . 791 . . 190 ILE CA . 51687 1 827 . 1 . 1 190 190 ILE CB C 13 37.520 . . 1 . . 749 . . 190 ILE CB . 51687 1 828 . 1 . 1 190 190 ILE N N 15 116.694 0.051 . 1 . . 747 . . 190 ILE N . 51687 1 829 . 1 . 1 191 191 SER H H 1 7.859 0.002 . 1 . . 462 . . 191 SER H . 51687 1 830 . 1 . 1 191 191 SER C C 13 175.756 0.007 . 1 . . 464 . . 191 SER C . 51687 1 831 . 1 . 1 191 191 SER CA C 13 61.054 0.063 . 1 . . 466 . . 191 SER CA . 51687 1 832 . 1 . 1 191 191 SER CB C 13 63.137 . . 1 . . 465 . . 191 SER CB . 51687 1 833 . 1 . 1 191 191 SER N N 15 116.229 0.018 . 1 . . 463 . . 191 SER N . 51687 1 834 . 1 . 1 192 192 GLN H H 1 7.792 0.002 . 1 . . 442 . . 192 GLN H . 51687 1 835 . 1 . 1 192 192 GLN C C 13 177.237 0.003 . 1 . . 444 . . 192 GLN C . 51687 1 836 . 1 . 1 192 192 GLN CA C 13 57.318 0.048 . 1 . . 445 . . 192 GLN CA . 51687 1 837 . 1 . 1 192 192 GLN CB C 13 28.995 . . 1 . . 446 . . 192 GLN CB . 51687 1 838 . 1 . 1 192 192 GLN N N 15 119.331 0.044 . 1 . . 443 . . 192 GLN N . 51687 1 839 . 1 . 1 193 193 ARG H H 1 7.854 0.004 . 1 . . 447 . . 193 ARG H . 51687 1 840 . 1 . 1 193 193 ARG C C 13 176.637 0.01 . 1 . . 449 . . 193 ARG C . 51687 1 841 . 1 . 1 193 193 ARG CA C 13 56.175 0.081 . 1 . . 450 . . 193 ARG CA . 51687 1 842 . 1 . 1 193 193 ARG CB C 13 30.690 . . 1 . . 451 . . 193 ARG CB . 51687 1 843 . 1 . 1 193 193 ARG N N 15 118.132 0.037 . 1 . . 448 . . 193 ARG N . 51687 1 844 . 1 . 1 194 194 THR H H 1 7.778 0.003 . 1 . . 452 . . 194 THR H . 51687 1 845 . 1 . 1 194 194 THR C C 13 173.749 0.016 . 1 . . 454 . . 194 THR C . 51687 1 846 . 1 . 1 194 194 THR CA C 13 61.813 0.081 . 1 . . 455 . . 194 THR CA . 51687 1 847 . 1 . 1 194 194 THR CB C 13 70.165 . . 1 . . 456 . . 194 THR CB . 51687 1 848 . 1 . 1 194 194 THR N N 15 112.389 0.052 . 1 . . 453 . . 194 THR N . 51687 1 849 . 1 . 1 195 195 ALA H H 1 7.945 0.002 . 1 . . 457 . . 195 ALA H . 51687 1 850 . 1 . 1 195 195 ALA C C 13 175.186 0.01 . 1 . . 459 . . 195 ALA C . 51687 1 851 . 1 . 1 195 195 ALA CA C 13 50.608 0.085 . 1 . . 460 . . 195 ALA CA . 51687 1 852 . 1 . 1 195 195 ALA CB C 13 18.288 . . 1 . . 461 . . 195 ALA CB . 51687 1 853 . 1 . 1 195 195 ALA N N 15 127.555 0.037 . 1 . . 458 . . 195 ALA N . 51687 1 854 . 1 . 1 196 196 PRO CA C 13 62.850 . . 1 . . 798 . . 196 PRO CA . 51687 1 855 . 1 . 1 196 196 PRO N N 15 135.535 0.016 . 1 . . 797 . . 196 PRO N . 51687 1 856 . 1 . 1 206 206 PRO C C 13 176.520 0.012 . 1 . . 784 . . 206 PRO C . 51687 1 857 . 1 . 1 206 206 PRO CA C 13 62.788 0.079 . 1 . . 783 . . 206 PRO CA . 51687 1 858 . 1 . 1 206 206 PRO CB C 13 31.968 . . 1 . . 782 . . 206 PRO CB . 51687 1 859 . 1 . 1 207 207 LEU H H 1 8.157 0.001 . 1 . . 630 . . 207 LEU H . 51687 1 860 . 1 . 1 207 207 LEU C C 13 175.323 0.014 . 1 . . 632 . . 207 LEU C . 51687 1 861 . 1 . 1 207 207 LEU CA C 13 52.939 0.076 . 1 . . 633 . . 207 LEU CA . 51687 1 862 . 1 . 1 207 207 LEU CB C 13 41.867 . . 1 . . 634 . . 207 LEU CB . 51687 1 863 . 1 . 1 207 207 LEU N N 15 123.533 0.041 . 1 . . 631 . . 207 LEU N . 51687 1 864 . 1 . 1 208 208 PRO CA C 13 62.848 . . 1 . . 835 . . 208 PRO CA . 51687 1 865 . 1 . 1 208 208 PRO N N 15 136.029 0.086 . 1 . . 796 . . 208 PRO N . 51687 1 866 . 1 . 1 224 224 PRO C C 13 176.433 0.011 . 1 . . 779 . . 224 PRO C . 51687 1 867 . 1 . 1 224 224 PRO CA C 13 63.025 0.117 . 1 . . 780 . . 224 PRO CA . 51687 1 868 . 1 . 1 224 224 PRO CB C 13 32.009 . . 1 . . 781 . . 224 PRO CB . 51687 1 869 . 1 . 1 225 225 VAL H H 1 7.946 0.003 . 1 . . 707 . . 225 VAL H . 51687 1 870 . 1 . 1 225 225 VAL C C 13 175.638 0.009 . 1 . . 711 . . 225 VAL C . 51687 1 871 . 1 . 1 225 225 VAL CA C 13 62.217 0.085 . 1 . . 710 . . 225 VAL CA . 51687 1 872 . 1 . 1 225 225 VAL CB C 13 32.952 . . 1 . . 709 . . 225 VAL CB . 51687 1 873 . 1 . 1 225 225 VAL N N 15 119.706 0.044 . 1 . . 708 . . 225 VAL N . 51687 1 874 . 1 . 1 226 226 TYR H H 1 8.117 0.004 . 1 . . 528 . . 226 TYR H . 51687 1 875 . 1 . 1 226 226 TYR C C 13 174.652 0.004 . 1 . . 530 . . 226 TYR C . 51687 1 876 . 1 . 1 226 226 TYR CA C 13 57.391 0.083 . 1 . . 531 . . 226 TYR CA . 51687 1 877 . 1 . 1 226 226 TYR CB C 13 38.967 . . 1 . . 532 . . 226 TYR CB . 51687 1 878 . 1 . 1 226 226 TYR N N 15 124.053 0.016 . 1 . . 529 . . 226 TYR N . 51687 1 879 . 1 . 1 227 227 ALA H H 1 8.004 0.003 . 1 . . 523 . . 227 ALA H . 51687 1 880 . 1 . 1 227 227 ALA C C 13 174.519 0.004 . 1 . . 526 . . 227 ALA C . 51687 1 881 . 1 . 1 227 227 ALA CA C 13 49.970 0.077 . 1 . . 525 . . 227 ALA CA . 51687 1 882 . 1 . 1 227 227 ALA CB C 13 18.748 . . 1 . . 527 . . 227 ALA CB . 51687 1 883 . 1 . 1 227 227 ALA N N 15 127.616 0.034 . 1 . . 524 . . 227 ALA N . 51687 1 884 . 1 . 1 228 228 PRO CA C 13 62.710 . . 1 . . 802 . . 228 PRO CA . 51687 1 885 . 1 . 1 228 228 PRO N N 15 135.176 0.026 . 1 . . 801 . . 228 PRO N . 51687 1 886 . 1 . 1 230 230 PRO C C 13 176.906 0.007 . 1 . . 778 . . 230 PRO C . 51687 1 887 . 1 . 1 230 230 PRO CA C 13 63.061 0.039 . 1 . . 777 . . 230 PRO CA . 51687 1 888 . 1 . 1 230 230 PRO CB C 13 32.006 . . 1 . . 776 . . 230 PRO CB . 51687 1 889 . 1 . 1 231 231 VAL H H 1 8.039 0.002 . 1 . . 704 . . 231 VAL H . 51687 1 890 . 1 . 1 231 231 VAL C C 13 176.032 0.001 . 1 . . 706 . . 231 VAL C . 51687 1 891 . 1 . 1 231 231 VAL CA C 13 62.264 0.022 . 1 . . 703 . . 231 VAL CA . 51687 1 892 . 1 . 1 231 231 VAL CB C 13 32.926 . . 1 . . 705 . . 231 VAL CB . 51687 1 893 . 1 . 1 231 231 VAL N N 15 119.922 0.054 . 1 . . 702 . . 231 VAL N . 51687 1 894 . 1 . 1 232 232 ALA H H 1 8.291 0.002 . 1 . . 693 . . 232 ALA H . 51687 1 895 . 1 . 1 232 232 ALA C C 13 177.737 0.013 . 1 . . 694 . . 232 ALA C . 51687 1 896 . 1 . 1 232 232 ALA CA C 13 52.631 0.122 . 1 . . 695 . . 232 ALA CA . 51687 1 897 . 1 . 1 232 232 ALA CB C 13 19.284 . . 1 . . 696 . . 232 ALA CB . 51687 1 898 . 1 . 1 232 232 ALA N N 15 127.335 0.046 . 1 . . 1032 . . 232 ALA N . 51687 1 899 . 1 . 1 233 233 SER H H 1 8.133 0.002 . 1 . . 697 . . 233 SER H . 51687 1 900 . 1 . 1 233 233 SER C C 13 174.672 0.004 . 1 . . 700 . . 233 SER C . 51687 1 901 . 1 . 1 233 233 SER CA C 13 58.576 0.005 . 1 . . 1036 . . 233 SER CA . 51687 1 902 . 1 . 1 233 233 SER CB C 13 63.852 . . 1 . . 699 . . 233 SER CB . 51687 1 903 . 1 . 1 233 233 SER N N 15 114.674 0.028 . 1 . . 698 . . 233 SER N . 51687 1 904 . 1 . 1 234 234 GLN H H 1 8.258 0.002 . 1 . . 721 . . 234 GLN H . 51687 1 905 . 1 . 1 234 234 GLN C C 13 175.627 0.007 . 1 . . 722 . . 234 GLN C . 51687 1 906 . 1 . 1 234 234 GLN CA C 13 56.069 0.085 . 1 . . 723 . . 234 GLN CA . 51687 1 907 . 1 . 1 234 234 GLN CB C 13 29.328 . . 1 . . 677 . . 234 GLN CB . 51687 1 908 . 1 . 1 234 234 GLN N N 15 121.627 0.02 . 1 . . 1035 . . 234 GLN N . 51687 1 909 . 1 . 1 235 235 PHE H H 1 8.072 0.005 . 1 . . 663 . . 235 PHE H . 51687 1 910 . 1 . 1 235 235 PHE C C 13 175.454 0.004 . 1 . . 857 . . 235 PHE C . 51687 1 911 . 1 . 1 235 235 PHE CA C 13 57.672 0.124 . 1 . . 665 . . 235 PHE CA . 51687 1 912 . 1 . 1 235 235 PHE CB C 13 39.553 . . 1 . . 666 . . 235 PHE CB . 51687 1 913 . 1 . 1 235 235 PHE N N 15 120.528 0.024 . 1 . . 664 . . 235 PHE N . 51687 1 914 . 1 . 1 236 236 GLN H H 1 8.054 0.003 . 1 . . 667 . . 236 GLN H . 51687 1 915 . 1 . 1 236 236 GLN C C 13 175.250 0.011 . 1 . . 671 . . 236 GLN C . 51687 1 916 . 1 . 1 236 236 GLN CA C 13 55.611 0.047 . 1 . . 670 . . 236 GLN CA . 51687 1 917 . 1 . 1 236 236 GLN CB C 13 29.631 . . 1 . . 669 . . 236 GLN CB . 51687 1 918 . 1 . 1 236 236 GLN N N 15 122.070 0.026 . 1 . . 668 . . 236 GLN N . 51687 1 919 . 1 . 1 237 237 ALA H H 1 8.213 0.0 . 1 . . 860 . . 237 ALA H . 51687 1 920 . 1 . 1 237 237 ALA CA C 13 52.668 0.089 . 1 . . 862 . . 237 ALA CA . 51687 1 921 . 1 . 1 237 237 ALA CB C 13 19.008 . . 1 . . 863 . . 237 ALA CB . 51687 1 922 . 1 . 1 237 237 ALA N N 15 125.552 0.03 . 1 . . 861 . . 237 ALA N . 51687 1 923 . 1 . 1 239 239 ALA C C 13 177.758 0.0 . 1 . . 828 . . 239 ALA C . 51687 1 924 . 1 . 1 239 239 ALA CA C 13 52.741 0.003 . 1 . . 829 . . 239 ALA CA . 51687 1 925 . 1 . 1 240 240 SER H H 1 8.178 0.003 . 1 . . 309 . . 240 SER H . 51687 1 926 . 1 . 1 240 240 SER C C 13 174.563 0.001 . 1 . . 311 . . 240 SER C . 51687 1 927 . 1 . 1 240 240 SER CA C 13 58.391 0.074 . 1 . . 313 . . 240 SER CA . 51687 1 928 . 1 . 1 240 240 SER CB C 13 63.880 . . 1 . . 312 . . 240 SER CB . 51687 1 929 . 1 . 1 240 240 SER N N 15 114.543 0.06 . 1 . . 310 . . 240 SER N . 51687 1 930 . 1 . 1 241 241 SER H H 1 8.198 0.004 . 1 . . 1041 . . 241 SER H . 51687 1 931 . 1 . 1 241 241 SER C C 13 174.258 0.011 . 1 . . 306 . . 241 SER C . 51687 1 932 . 1 . 1 241 241 SER CA C 13 58.414 0.03 . 1 . . 308 . . 241 SER CA . 51687 1 933 . 1 . 1 241 241 SER CB C 13 63.887 . . 1 . . 307 . . 241 SER CB . 51687 1 934 . 1 . 1 241 241 SER N N 15 117.475 0.071 . 1 . . 1042 . . 241 SER N . 51687 1 935 . 1 . 1 242 242 GLN H H 1 8.269 0.009 . 1 . . 729 . . 242 GLN H . 51687 1 936 . 1 . 1 242 242 GLN C C 13 175.045 0.051 . 1 . . 733 . . 242 GLN C . 51687 1 937 . 1 . 1 242 242 GLN CA C 13 55.939 0.076 . 1 . . 731 . . 242 GLN CA . 51687 1 938 . 1 . 1 242 242 GLN CB C 13 29.698 . . 1 . . 732 . . 242 GLN CB . 51687 1 939 . 1 . 1 242 242 GLN N N 15 122.288 0.158 . 1 . . 730 . . 242 GLN N . 51687 1 940 . 1 . 1 243 243 SER H H 1 7.919 0.005 . 1 . . 734 . . 243 SER H . 51687 1 941 . 1 . 1 243 243 SER C C 13 178.492 . . 1 . . 738 . . 243 SER C . 51687 1 942 . 1 . 1 243 243 SER CA C 13 60.021 0.075 . 1 . . 736 . . 243 SER CA . 51687 1 943 . 1 . 1 243 243 SER CB C 13 64.974 . . 1 . . 737 . . 243 SER CB . 51687 1 944 . 1 . 1 243 243 SER N N 15 122.733 0.034 . 1 . . 735 . . 243 SER N . 51687 1 stop_ save_